data_2jzs_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 2jzs _Structure_validation_residue.Date_analyzed 2016-10-07 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . 0.445 HD13 ' CD1' ' A' ' 99' ' ' ILE . 20.8 mt . . . . . 0 N--CA 1.452 -0.33 0 N-CA-C 109.372 -0.603 . . . . 0.0 109.372 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -133.96 149.02 51.23 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.472 1.108 . . . . 0.0 109.26 -179.921 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' THR . . . . . 0.483 ' CB ' ' O ' ' A' ' 91' ' ' VAL . 10.1 p -92.68 177.47 6.09 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.57 1.168 . . . . 0.0 110.454 179.932 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -66.26 -11.44 50.31 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.486 1.116 . . . . 0.0 109.302 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -98.77 20.47 13.0 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.456 1.098 . . . . 0.0 109.309 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 51.57 30.05 6.11 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.48 1.113 . . . . 0.0 109.291 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 19.7 mtp180 -102.07 153.64 37.89 Favored Pre-proline 0 C--N 1.324 -0.525 0 O-C-N 124.56 1.163 . . . . 0.0 110.247 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.92 130.07 13.01 Favored 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.474 1.776 . . . . 0.0 111.037 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -65.01 -14.51 60.59 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.543 1.152 . . . . 0.0 109.277 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' SER . . . . . 0.401 ' O ' ' N ' ' A' ' 21' ' ' LEU . 55.6 p -61.39 -40.32 93.91 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.481 1.113 . . . . 0.0 110.035 -179.947 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 27.2 t -53.33 -23.06 6.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.561 1.163 . . . . 0.0 109.321 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' TYR . . . . . 0.416 ' CZ ' ' HB3' ' A' ' 90' ' ' PRO . 14.8 m-85 -101.88 23.0 12.04 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.373 1.045 . . . . 0.0 110.979 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.496 ' O ' ' CB ' ' A' ' 22' ' ' LYS . 0.2 OUTLIER -151.53 115.24 4.89 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.44 1.087 . . . . 0.0 109.312 179.975 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . 0.496 ' CB ' ' O ' ' A' ' 21' ' ' LEU . 0.0 OUTLIER 164.27 -178.14 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.518 1.136 . . . . 0.0 109.31 -179.974 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 66.06 26.31 10.77 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.451 1.095 . . . . 0.0 109.244 179.948 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 67.6 m-20 40.43 39.19 0.67 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.608 1.193 . . . . 0.0 109.3 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 1.2 mttp -103.34 160.61 25.61 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.461 1.101 . . . . 0.0 109.346 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 154.45 42.81 Favored 'Trans proline' 0 C--N 1.361 1.217 0 O-C-N 124.423 1.749 . . . . 0.0 110.967 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 40.2 m -129.8 141.12 50.9 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.46 1.1 . . . . 0.0 110.353 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 16.5 tp -125.32 129.99 51.07 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.425 1.078 . . . . 0.0 109.272 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 12.5 mt -110.4 148.22 14.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.473 1.108 . . . . 0.0 109.279 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.562 ' HB2' ' CE3' ' A' ' 111' ' ' TRP . 3.6 tptp -138.35 115.44 10.94 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.55 1.157 . . . . 0.0 109.306 179.943 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . 0.592 ' HB3' ' CE1' ' A' ' 108' ' ' TYR . 61.4 m-85 -86.21 137.3 32.74 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.541 1.15 . . . . 0.0 110.993 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' TRP . . . . . 0.572 ' CZ3' HD12 ' A' ' 43' ' ' LEU . 16.7 p-90 -141.07 171.54 13.92 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.519 1.137 . . . . 0.0 108.025 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -138.88 146.02 40.65 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.544 1.152 . . . . 0.0 109.265 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' SER . . . . . 0.568 ' HB3' ' CZ3' ' A' ' 80' ' ' TRP . 0.3 OUTLIER -69.06 -38.7 79.22 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.5 1.125 . . . . 0.0 110.023 -179.949 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 14.0 p-90 -69.13 -10.09 55.97 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.526 1.141 . . . . 0.0 107.971 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 43.1 t -94.55 114.99 64.79 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.447 1.092 . . . . 0.0 108.195 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.0 -50.61 0.13 Allowed 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.428 1.751 . . . . 0.0 110.986 179.933 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.422 ' HG ' ' N ' ' A' ' 39' ' ' CYS . 0.3 OUTLIER -50.34 -35.08 26.22 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.57 1.169 . . . . 0.0 109.289 179.973 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . 0.422 ' N ' ' HG ' ' A' ' 38' ' ' LEU . 1.0 OUTLIER -70.54 -50.91 32.58 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.503 1.127 . . . . 0.0 108.311 -179.977 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 43.0 mt -51.13 -47.14 62.1 Favored 'General case' 0 C--N 1.327 -0.41 0 O-C-N 124.463 1.102 . . . . 0.0 109.277 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 9.3 p -67.74 -24.89 65.41 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.526 1.141 . . . . 0.0 110.027 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . 0.41 ' O ' ' N ' ' A' ' 46' ' ' THR . 0.8 OUTLIER -75.87 -28.92 58.35 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.454 1.096 . . . . 0.0 110.294 179.981 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.572 HD12 ' CZ3' ' A' ' 32' ' ' TRP . 13.8 mt -47.94 -54.68 12.0 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.546 1.154 . . . . 0.0 109.343 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -51.62 -44.6 54.26 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.454 1.096 . . . . 0.0 111.05 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . 0.411 ' O ' ' CG ' ' A' ' 49' ' ' TRP . 1.1 tt0 -71.36 -32.0 68.01 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.562 0.801 . . . . 0.0 110.288 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' THR . . . . . 0.41 ' N ' ' O ' ' A' ' 42' ' ' GLU . 3.3 m -76.74 -29.14 56.04 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.524 1.14 . . . . 0.0 110.349 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . 0.436 ' N ' ' O ' ' A' ' 43' ' ' LEU . 23.5 tt0 -70.66 -40.15 73.18 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.488 1.118 . . . . 0.0 110.309 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.36 -32.31 48.97 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.459 1.099 . . . . 0.0 109.294 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' TRP . . . . . 0.411 ' CG ' ' O ' ' A' ' 45' ' ' GLN . 30.3 m0 -64.69 -30.45 71.47 Favored 'General case' 0 C--N 1.323 -0.576 0 O-C-N 124.55 1.157 . . . . 0.0 107.969 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -76.37 -9.09 58.38 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.473 1.108 . . . . 0.0 109.359 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 15.4 mt-30 -104.5 -3.37 24.03 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.566 1.166 . . . . 0.0 110.352 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . 0.43 ' OD1' ' N ' ' A' ' 54' ' ' LYS . 4.1 t0 -76.69 131.81 39.0 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.514 1.133 . . . . 0.0 109.221 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -53.59 -48.94 68.78 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.467 1.105 . . . . 0.0 109.209 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . 0.43 ' N ' ' OD1' ' A' ' 52' ' ' ASP . 0.1 OUTLIER -50.38 -43.03 54.24 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.549 1.156 . . . . 0.0 109.286 179.968 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . 0.571 ' CE1' HD13 ' A' ' 60' ' ' LEU . 1.3 m-85 -77.26 -36.2 54.62 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.459 1.099 . . . . 0.0 110.959 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' SER . . . . . 0.408 ' O ' ' C ' ' A' ' 57' ' ' SER . 20.5 m -46.71 -44.65 18.92 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.475 1.109 . . . . 0.0 109.979 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' SER . . . . . 0.408 ' C ' ' O ' ' A' ' 56' ' ' SER . 0.2 OUTLIER -38.97 -44.95 1.14 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.5 1.125 . . . . 0.0 109.995 -179.983 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -110.86 166.24 11.19 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.434 1.084 . . . . 0.0 109.232 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 16.9 m-20 -88.39 127.51 35.5 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.568 1.168 . . . . 0.0 109.221 -179.899 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.571 HD13 ' CE1' ' A' ' 55' ' ' PHE . 6.8 tt -116.97 126.13 52.45 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.487 1.117 . . . . 0.0 109.332 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . 0.411 ' HA ' ' HG2' ' A' ' 90' ' ' PRO . 9.5 pt -151.67 160.38 3.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.39 1.057 . . . . 0.0 109.226 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' THR . . . . . 0.401 ' OG1' ' HA ' ' A' ' 91' ' ' VAL . 27.4 p -112.14 156.69 21.86 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.444 1.09 . . . . 0.0 110.37 -179.916 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . 0.409 HG11 ' CD2' ' A' ' 31' ' ' PHE . 3.0 t -129.0 140.95 47.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.508 1.13 . . . . 0.0 109.284 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -134.72 143.56 47.25 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.454 1.096 . . . . 0.0 109.262 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' SER . . . . . 0.436 ' CB ' ' HB3' ' A' ' 68' ' ' PHE . 1.6 m -114.13 107.63 51.64 Favored Pre-proline 0 C--N 1.326 -0.423 0 O-C-N 124.535 1.147 . . . . 0.0 110.025 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . 0.42 ' HB2' ' N ' ' A' ' 74' ' ' ASP . 18.2 Cg_endo -75.05 135.51 19.08 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.528 1.804 . . . . 0.0 111.077 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 66.96 8.0 46.5 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.541 1.151 . . . . 0.0 110.913 -179.935 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . 0.504 ' CD1' ' HB2' ' A' ' 69' ' ' LEU . 3.4 t80 -120.05 127.21 52.36 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.454 0.738 . . . . 0.0 111.005 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.57 HD23 ' CE2' ' A' ' 108' ' ' TYR . 5.7 tp 77.38 31.35 0.48 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.539 1.149 . . . . 0.0 109.263 179.944 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 57.3 m80 65.33 14.23 9.3 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.534 1.146 . . . . 0.0 109.668 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . 0.441 ' HB2' ' O ' ' A' ' 68' ' ' PHE . 0.1 OUTLIER -81.04 145.16 31.27 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.459 1.099 . . . . 0.0 110.335 -179.96 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . 0.402 ' C ' ' O ' ' A' ' 71' ' ' GLU . 0.7 OUTLIER -39.85 152.04 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.443 1.09 . . . . 0.0 109.32 179.997 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 3.7 ttpt -77.92 165.86 23.58 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.437 1.085 . . . . 0.0 109.349 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' ASP . . . . . 0.42 ' N ' ' HB2' ' A' ' 66' ' ' PRO . 0.0 OUTLIER -65.94 147.04 53.98 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.46 1.1 . . . . 0.0 109.31 179.953 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 86.77 -48.29 3.85 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.514 1.134 . . . . 0.0 110.991 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 78.5 m-20 -76.75 -28.71 55.84 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.536 0.786 . . . . 0.0 109.303 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 4.8 t80 -77.67 -54.95 5.77 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.509 1.13 . . . . 0.0 111.019 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 16.1 pt20 -52.46 -34.93 51.25 Favored 'General case' 0 C--N 1.323 -0.548 0 O-C-N 124.426 1.078 . . . . 0.0 110.344 179.859 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -72.0 -39.58 69.13 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.577 1.173 . . . . 0.0 109.324 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 80' ' ' TRP . . . . . 0.568 ' CZ3' ' HB3' ' A' ' 34' ' ' SER . 7.0 t90 . . . . . 0 C--N 1.326 -0.418 0 N-CA-C 108.02 -1.104 . . . . 0.0 108.02 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 2.5 mtmm . . . . . 0 N--CA 1.453 -0.32 0 N-CA-C 109.299 -0.63 . . . . 0.0 109.299 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . 0.462 ' CD1' ' HD2' ' A' ' 90' ' ' PRO . 0.5 OUTLIER -113.72 132.37 22.62 Favored Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.429 1.081 . . . . 0.0 109.294 179.928 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 90' ' ' PRO . . . . . 0.462 ' HD2' ' CD1' ' A' ' 89' ' ' LEU . 18.3 Cg_endo -74.95 126.88 10.29 Favored 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.46 1.768 . . . . 0.0 111.003 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . 0.483 ' O ' ' CB ' ' A' ' 11' ' ' THR . 3.7 t -137.81 122.53 23.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 O-C-N 124.512 1.132 . . . . 0.0 109.327 179.939 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . 0.41 HG22 ' CD1' ' A' ' 61' ' ' ILE . 28.2 t -116.58 134.19 60.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.546 1.154 . . . . 0.0 109.298 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 4.7 p -118.88 118.59 31.94 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.392 1.058 . . . . 0.0 110.377 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 58.6 t0 -114.88 111.18 20.79 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.528 1.142 . . . . 0.0 109.328 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 22.3 t-20 -58.43 113.48 2.0 Allowed 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.511 1.132 . . . . 0.0 109.302 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 87.37 -19.71 30.37 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.482 1.114 . . . . 0.0 111.073 -179.939 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 63.98 71.48 0.84 Allowed Glycine 0 CA--C 1.53 0.976 0 N-CA-C 110.973 -0.851 . . . . 0.0 110.973 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 2.5 m -61.95 -36.77 82.4 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.483 0.754 . . . . 0.0 110.399 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 99' ' ' ILE . . . . . 0.445 ' CD1' HD13 ' A' ' 9' ' ' LEU . 3.1 mt -74.47 -37.74 44.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.545 1.153 . . . . 0.0 109.32 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -70.55 -37.23 74.0 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.452 1.095 . . . . 0.0 109.233 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -79.68 -34.88 39.9 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.517 1.136 . . . . 0.0 110.303 -179.952 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 34.2 t -63.56 -39.16 93.68 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.556 1.16 . . . . 0.0 109.969 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . 0.469 ' HB3' ' CD1' ' A' ' 123' ' ' ILE . 58.8 mt -88.93 -1.45 58.1 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.495 1.122 . . . . 0.0 109.324 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 16.5 t-20 54.55 49.88 17.25 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.54 1.15 . . . . 0.0 109.352 -179.906 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 105' ' ' ILE . . . . . 0.444 HG22 ' CG1' ' A' ' 107' ' ' VAL . 18.7 mt -83.84 -79.09 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.4 1.063 . . . . 0.0 109.323 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 106' ' ' SER . . . . . 0.409 ' OG ' ' O ' ' A' ' 105' ' ' ILE . 22.5 p 53.73 32.1 14.1 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.524 1.14 . . . . 0.0 109.983 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 107' ' ' VAL . . . . . 0.444 ' CG1' HG22 ' A' ' 105' ' ' ILE . 7.7 p -148.66 132.05 7.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.627 1.204 . . . . 0.0 109.3 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 108' ' ' TYR . . . . . 0.592 ' CE1' ' HB3' ' A' ' 31' ' ' PHE . 17.4 m-85 -130.76 153.17 81.53 Favored Pre-proline 0 C--N 1.324 -0.538 0 O-C-N 124.603 1.19 . . . . 0.0 111.027 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 109' ' ' PRO . . . . . 0.5 ' C ' ' HA ' ' A' ' 108' ' ' TYR . 18.5 Cg_endo -75.03 173.03 60.03 Favored 'Cis proline' 0 C--N 1.36 1.175 0 C-N-CA 120.982 -2.507 . . . . 0.0 111.006 0.059 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 5.1 m -158.18 149.54 21.17 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.536 1.147 . . . . 0.0 109.912 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 111' ' ' TRP . . . . . 0.562 ' CE3' ' HB2' ' A' ' 30' ' ' LYS . 83.5 m95 -123.36 141.59 51.83 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.611 1.194 . . . . 0.0 108.013 179.942 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -133.8 138.14 45.52 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.502 1.126 . . . . 0.0 109.291 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 49.5 tp -108.58 133.45 52.69 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.455 1.097 . . . . 0.0 109.297 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 114' ' ' ILE . . . . . 0.447 ' CD1' ' HA ' ' A' ' 120' ' ' VAL . 48.7 mm -120.55 115.23 46.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.515 1.135 . . . . 0.0 109.286 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -43.04 166.71 0.01 OUTLIER Glycine 0 CA--C 1.531 1.064 0 O-C-N 124.563 1.165 . . . . 0.0 110.979 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.34 -10.32 49.82 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.534 0.785 . . . . 0.0 109.305 -179.947 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -85.8 -22.12 27.8 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.511 1.132 . . . . 0.0 109.303 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . 99.49 30.28 6.63 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.561 1.163 . . . . 0.0 110.948 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 1.1 p30 -124.07 159.74 29.26 Favored 'General case' 0 C--N 1.323 -0.557 0 O-C-N 124.556 0.798 . . . . 0.0 109.294 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 120' ' ' VAL . . . . . 0.447 ' HA ' ' CD1' ' A' ' 114' ' ' ILE . 84.1 t -59.64 117.86 2.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.533 1.146 . . . . 0.0 109.286 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -101.46 -55.51 2.51 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.438 1.086 . . . . 0.0 110.337 179.938 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -148.34 142.31 25.86 Favored 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.528 1.142 . . . . 0.0 110.292 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 123' ' ' ILE . . . . . 0.469 ' CD1' ' HB3' ' A' ' 103' ' ' LEU . 12.3 tt -114.29 136.83 49.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.509 1.131 . . . . 0.0 109.333 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 73.5 t -122.15 137.21 56.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.545 1.153 . . . . 0.0 109.241 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 9.9 pttt -113.98 119.95 38.95 Favored 'General case' 0 C--N 1.326 -0.415 0 O-C-N 124.477 1.111 . . . . 0.0 109.281 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . 119.67 -146.37 18.04 Favored Glycine 0 CA--C 1.529 0.911 0 O-C-N 124.448 1.093 . . . . 0.0 111.034 -179.931 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -125.99 161.48 27.42 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.382 0.695 . . . . 0.0 109.984 -179.927 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 128' ' ' ILE . . . . . . . . . . . . . 13.9 pt -136.41 166.77 25.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.532 1.145 . . . . 0.0 109.316 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 129' ' ' ASN . . . . . 0.429 ' OD1' ' N ' ' A' ' 129' ' ' ASN . 1.6 p-10 -106.57 169.17 8.68 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.61 1.194 . . . . 0.0 109.249 -179.929 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 10.4 tt0 -56.57 -36.8 69.73 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.509 1.131 . . . . 0.0 110.318 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -63.16 -50.09 71.76 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.493 1.12 . . . . 0.0 109.282 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 1.3 tt0 -50.95 -44.88 60.56 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.577 1.173 . . . . 0.0 110.315 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 133' ' ' ALA . . . . . 0.486 ' CB ' ' CZ ' ' A' ' 55' ' ' PHE . . . -52.79 -45.64 67.28 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.487 1.117 . . . . 0.0 109.3 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 23.2 mt . . . . . 0 C--N 1.325 -0.465 0 O-C-N 124.486 1.116 . . . . 0.0 109.304 -179.93 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . 0.418 HD23 ' N ' ' A' ' 9' ' ' LEU . 3.9 mm? . . . . . 0 N--CA 1.454 -0.262 0 N-CA-C 109.211 -0.662 . . . . 0.0 109.211 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 4.5 mmmt -116.37 141.07 48.64 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.486 1.116 . . . . 0.0 109.368 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 13.4 p -82.36 -177.38 6.64 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.474 1.109 . . . . 0.0 110.435 -179.923 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -73.69 -3.98 31.57 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.571 1.169 . . . . 0.0 109.348 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -109.04 26.65 10.37 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.54 1.15 . . . . 0.0 109.326 179.876 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 47.22 36.26 4.42 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.509 1.131 . . . . 0.0 109.309 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 5.3 mtt180 -111.03 157.35 38.97 Favored Pre-proline 0 C--N 1.326 -0.433 0 O-C-N 124.451 1.094 . . . . 0.0 110.254 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . 0.51 ' O ' ' CG2' ' A' ' 19' ' ' VAL . 18.4 Cg_endo -75.04 128.66 11.63 Favored 'Trans proline' 0 C--N 1.361 1.23 0 O-C-N 124.496 1.787 . . . . 0.0 110.987 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -49.36 -30.91 8.39 Favored 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.507 1.129 . . . . 0.0 109.224 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -55.04 -19.22 6.58 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.49 1.119 . . . . 0.0 109.971 -179.884 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . 0.51 ' CG2' ' O ' ' A' ' 16' ' ' PRO . 12.2 m -48.05 -48.01 12.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.503 1.127 . . . . 0.0 109.31 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 18.5 m-85 -117.72 24.51 11.01 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.534 1.146 . . . . 0.0 110.995 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -112.83 111.06 21.57 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.527 1.142 . . . . 0.0 109.292 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -112.38 127.77 56.11 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.397 1.061 . . . . 0.0 109.3 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.9 16.54 2.76 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.474 1.109 . . . . 0.0 109.242 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -144.06 16.74 1.74 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.533 1.145 . . . . 0.0 109.314 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 6.9 mmmt -145.32 154.71 53.83 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.542 1.151 . . . . 0.0 109.23 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.93 128.55 11.63 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.571 1.827 . . . . 0.0 111.012 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 24.8 m -112.1 130.43 55.89 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.551 1.157 . . . . 0.0 110.48 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 53.1 tp -111.45 129.57 55.99 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.471 1.107 . . . . 0.0 109.298 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 4.4 mt -108.98 149.38 12.24 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 O-C-N 124.555 1.16 . . . . 0.0 109.321 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.558 ' HD2' ' CZ2' ' A' ' 111' ' ' TRP . 12.6 tttt -139.18 117.09 11.62 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.547 1.154 . . . . 0.0 109.285 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . 0.571 ' HB3' ' CE1' ' A' ' 108' ' ' TYR . 41.7 m-85 -89.61 120.4 30.86 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.459 1.1 . . . . 0.0 111.027 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' TRP . . . . . 0.574 ' CZ3' HD22 ' A' ' 43' ' ' LEU . 6.4 p-90 -127.15 168.34 14.8 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 108.074 -1.084 . . . . 0.0 108.074 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -132.23 135.65 46.44 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.562 1.164 . . . . 0.0 109.26 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' SER . . . . . 0.585 ' HB3' ' CZ3' ' A' ' 80' ' ' TRP . 0.5 OUTLIER -63.79 -35.73 81.58 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.497 1.123 . . . . 0.0 110.041 179.986 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 23.6 p-90 -71.46 -19.44 62.22 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.479 1.112 . . . . 0.0 108.041 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 37.3 t -81.13 116.54 63.3 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.508 1.13 . . . . 0.0 108.284 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.06 -46.93 0.21 Allowed 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.483 1.781 . . . . 0.0 110.955 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 3.2 tt -52.69 -32.26 41.67 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.477 1.11 . . . . 0.0 109.332 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 36.1 m -77.38 -45.02 27.31 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.482 1.114 . . . . 0.0 108.35 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 23.2 mt -51.38 -45.3 62.39 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.456 1.097 . . . . 0.0 109.338 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.4 p -70.53 -24.91 62.9 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.479 1.112 . . . . 0.0 109.972 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 2.8 tp10 -78.54 -24.46 45.64 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.572 1.17 . . . . 0.0 110.26 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.574 HD22 ' CZ3' ' A' ' 32' ' ' TRP . 70.7 mt -46.33 -54.35 9.14 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.545 1.153 . . . . 0.0 109.24 -179.94 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -55.49 -52.67 46.36 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.409 1.068 . . . . 0.0 110.934 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 7.5 tt0 -56.72 -33.07 66.14 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.547 0.793 . . . . 0.0 110.212 -179.853 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 87.9 m -69.89 -42.63 73.16 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.518 1.137 . . . . 0.0 110.433 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 20.3 tt0 -65.81 -33.06 75.0 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.495 1.122 . . . . 0.0 110.256 -179.932 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 11.3 tptt -77.92 -38.7 44.97 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.464 1.103 . . . . 0.0 109.356 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' TRP . . . . . 0.501 ' HB3' ' CE2' ' A' ' 55' ' ' PHE . 40.8 m0 -69.57 -27.89 65.51 Favored 'General case' 0 C--N 1.327 -0.401 0 O-C-N 124.476 1.11 . . . . 0.0 108.01 -179.941 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -75.02 -9.14 58.25 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.485 1.116 . . . . 0.0 109.288 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 4.7 mm-40 -106.14 -16.03 14.71 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.488 1.118 . . . . 0.0 110.318 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 44.6 t0 -63.83 125.19 23.56 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.543 1.152 . . . . 0.0 109.306 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -50.02 -45.51 52.03 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.447 1.092 . . . . 0.0 109.3 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 60.4 mmtt -49.39 -45.06 45.58 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.495 1.122 . . . . 0.0 109.313 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . 0.568 ' CZ ' ' HB2' ' A' ' 133' ' ' ALA . 2.2 m-85 -73.99 -30.78 62.66 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.508 1.13 . . . . 0.0 110.992 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 5.2 t -46.4 -39.03 9.78 Favored 'General case' 0 C--N 1.323 -0.568 0 O-C-N 124.51 1.131 . . . . 0.0 109.935 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 11.8 t -40.71 -56.72 2.08 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.526 1.142 . . . . 0.0 110.052 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -105.96 165.83 10.93 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.459 1.099 . . . . 0.0 109.232 -179.93 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . 0.408 ' OD1' ' N ' ' A' ' 59' ' ' ASN . 0.3 OUTLIER -88.95 123.62 33.47 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.557 1.161 . . . . 0.0 109.263 -179.978 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.56 HD13 ' CD1' ' A' ' 55' ' ' PHE . 2.9 tt -109.83 127.57 54.77 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.505 1.128 . . . . 0.0 109.281 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . 0.452 ' CD1' HG21 ' A' ' 92' ' ' VAL . 1.0 OUTLIER -151.21 161.48 3.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.511 1.132 . . . . 0.0 109.278 179.995 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' THR . . . . . 0.518 ' HB ' ' CD1' ' A' ' 32' ' ' TRP . 34.9 p -116.06 150.92 36.53 Favored 'General case' 0 C--N 1.327 -0.407 0 O-C-N 124.464 1.102 . . . . 0.0 110.395 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 2.2 t -122.92 144.16 33.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.597 1.185 . . . . 0.0 109.286 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . 0.446 ' N ' ' O ' ' A' ' 92' ' ' VAL . . . -134.59 139.13 45.12 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.531 1.144 . . . . 0.0 109.262 -179.932 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' SER . . . . . 0.438 ' CB ' ' HB3' ' A' ' 68' ' ' PHE . 10.0 m -113.18 108.16 53.13 Favored Pre-proline 0 C--N 1.326 -0.416 0 O-C-N 124.445 1.091 . . . . 0.0 109.98 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.91 135.12 18.83 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.525 1.803 . . . . 0.0 111.045 179.936 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 72.32 3.26 56.93 Favored Glycine 0 CA--C 1.531 1.061 0 O-C-N 124.436 1.085 . . . . 0.0 110.99 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . 0.438 ' HB3' ' CB ' ' A' ' 65' ' ' SER . 70.8 t80 -120.97 131.96 54.63 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.475 0.75 . . . . 0.0 111.017 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.422 HD23 ' CE2' ' A' ' 68' ' ' PHE . 0.2 OUTLIER 75.62 20.04 1.95 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.375 1.047 . . . . 0.0 109.297 -179.977 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER 71.09 27.38 3.31 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.472 1.107 . . . . 0.0 109.607 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -90.56 144.09 26.11 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.538 1.149 . . . . 0.0 110.28 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . 0.422 ' HE2' ' CE3' ' A' ' 80' ' ' TRP . 0.9 OUTLIER -40.71 148.85 0.09 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.575 1.172 . . . . 0.0 109.372 179.957 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 13.8 ptmt -74.81 163.11 28.02 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.513 1.133 . . . . 0.0 109.291 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -58.82 139.65 56.12 Favored 'General case' 0 C--N 1.327 -0.408 0 O-C-N 124.528 1.143 . . . . 0.0 109.307 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 90.49 -43.82 2.91 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.413 1.071 . . . . 0.0 110.993 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -74.1 -32.29 63.16 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.55 0.794 . . . . 0.0 109.354 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' PHE . . . . . 0.42 ' CD2' ' N ' ' A' ' 78' ' ' GLN . 5.1 t80 -77.53 -57.69 3.68 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.45 1.094 . . . . 0.0 111.049 179.903 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' GLN . . . . . 0.42 ' N ' ' CD2' ' A' ' 77' ' ' PHE . 16.2 pt20 -51.12 -28.64 11.26 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.514 1.134 . . . . 0.0 110.3 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -68.28 -50.55 52.92 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.54 1.15 . . . . 0.0 109.372 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 80' ' ' TRP . . . . . 0.585 ' CZ3' ' HB3' ' A' ' 34' ' ' SER . 5.5 t90 . . . . . 0 C--N 1.326 -0.42 0 N-CA-C 108.003 -1.11 . . . . 0.0 108.003 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 11.1 mttt . . . . . 0 N--CA 1.453 -0.297 0 N-CA-C 109.269 -0.641 . . . . 0.0 109.269 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . 0.41 ' HA ' ' HD3' ' A' ' 90' ' ' PRO . 2.5 tp -108.04 126.08 30.57 Favored Pre-proline 0 C--N 1.323 -0.546 0 O-C-N 124.498 1.124 . . . . 0.0 109.28 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 90' ' ' PRO . . . . . 0.41 ' HD3' ' HA ' ' A' ' 89' ' ' LEU . 18.5 Cg_endo -74.96 128.14 11.28 Favored 'Trans proline' 0 C--N 1.361 1.22 0 O-C-N 124.518 1.799 . . . . 0.0 111.055 179.927 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 57.9 t -146.47 122.63 3.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.479 1.112 . . . . 0.0 109.296 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . 0.452 HG21 ' CD1' ' A' ' 61' ' ' ILE . 59.6 t -113.59 137.97 44.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.512 1.132 . . . . 0.0 109.292 179.943 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 2.4 p -119.4 115.86 24.96 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.508 1.13 . . . . 0.0 110.348 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 54.5 t0 -114.92 111.77 21.68 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.469 1.106 . . . . 0.0 109.314 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 18.0 t-20 -58.04 119.03 6.06 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.505 1.128 . . . . 0.0 109.302 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 84.98 -12.76 57.0 Favored Glycine 0 CA--C 1.531 1.068 0 O-C-N 124.52 1.137 . . . . 0.0 111.031 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 58.9 64.31 4.41 Favored Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.609 0.829 . . . . 0.0 111.08 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 98' ' ' THR . . . . . 0.466 ' O ' ' CB ' ' A' ' 102' ' ' SER . 2.8 m -62.19 -28.64 69.81 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.528 0.781 . . . . 0.0 110.393 -179.929 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 3.0 mt -80.34 -36.88 16.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.491 1.119 . . . . 0.0 109.223 -179.911 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -73.52 -35.89 65.64 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.441 1.088 . . . . 0.0 109.358 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 3.7 tt0 -80.67 -34.55 34.66 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.5 1.125 . . . . 0.0 110.288 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 102' ' ' SER . . . . . 0.466 ' CB ' ' O ' ' A' ' 98' ' ' THR . 5.0 m -64.38 -28.06 69.43 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.539 1.15 . . . . 0.0 110.04 179.94 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 8.8 mt -103.08 -14.35 16.46 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.454 1.096 . . . . 0.0 109.28 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 8.2 t30 69.91 58.68 0.28 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.411 1.069 . . . . 0.0 109.318 -179.902 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 105' ' ' ILE . . . . . 0.568 HD11 ' CE1' ' A' ' 31' ' ' PHE . 9.9 mt -106.24 112.44 39.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.452 1.095 . . . . 0.0 109.28 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 5.3 p -129.77 36.7 4.04 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.503 1.127 . . . . 0.0 109.962 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 1.8 p -148.37 132.71 9.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.539 1.15 . . . . 0.0 109.202 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 108' ' ' TYR . . . . . 0.571 ' CE1' ' HB3' ' A' ' 31' ' ' PHE . 22.6 m-85 -130.52 152.27 80.07 Favored Pre-proline 0 C--N 1.326 -0.446 0 O-C-N 124.538 1.149 . . . . 0.0 111.071 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 109' ' ' PRO . . . . . 0.507 ' C ' ' HA ' ' A' ' 108' ' ' TYR . 18.4 Cg_endo -75.05 161.53 94.63 Favored 'Cis proline' 0 C--N 1.359 1.087 0 C-N-CA 121.023 -2.49 . . . . 0.0 110.976 0.031 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -136.71 159.18 42.61 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.56 1.163 . . . . 0.0 109.976 -179.923 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 111' ' ' TRP . . . . . 0.558 ' CZ2' ' HD2' ' A' ' 30' ' ' LYS . 62.3 m95 -133.28 140.27 47.37 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 108.002 -1.11 . . . . 0.0 108.002 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -130.33 128.96 42.55 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.489 1.118 . . . . 0.0 109.254 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 36.5 tp -108.64 133.05 53.28 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.534 1.146 . . . . 0.0 109.295 -179.932 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 43.8 mm -121.16 117.31 52.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.362 1.038 . . . . 0.0 109.358 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -42.48 165.96 0.02 OUTLIER Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.452 1.095 . . . . 0.0 110.996 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -68.95 -15.37 63.47 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.487 0.757 . . . . 0.0 109.256 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -89.03 -19.89 25.08 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.463 1.102 . . . . 0.0 109.357 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . 102.81 24.22 8.26 Favored Glycine 0 CA--C 1.529 0.942 0 O-C-N 124.545 1.153 . . . . 0.0 110.98 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 6.4 p-10 -112.75 135.94 52.91 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.518 0.775 . . . . 0.0 109.278 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 62.8 t -41.11 113.93 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.469 1.106 . . . . 0.0 109.365 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -88.52 -58.99 2.35 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.527 1.142 . . . . 0.0 110.266 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -157.62 136.11 11.23 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.491 1.12 . . . . 0.0 110.327 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 123' ' ' ILE . . . . . . . . . . . . . 13.0 tt -109.27 123.78 65.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.524 1.14 . . . . 0.0 109.272 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 24.9 t -114.71 137.47 48.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.506 1.129 . . . . 0.0 109.256 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 2.5 mtmp? -120.3 115.54 23.76 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.428 1.08 . . . . 0.0 109.307 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . 131.64 -156.73 22.03 Favored Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.619 1.2 . . . . 0.0 111.028 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 5.0 m -115.51 136.91 52.6 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.513 0.773 . . . . 0.0 109.943 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 128' ' ' ILE . . . . . . . . . . . . . 13.3 pt -117.81 166.68 11.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.492 1.12 . . . . 0.0 109.32 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 129' ' ' ASN . . . . . . . . . . . . . 1.7 p-10 -106.55 168.53 9.11 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.481 1.113 . . . . 0.0 109.246 -179.913 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -53.75 -42.31 68.07 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.547 1.154 . . . . 0.0 110.385 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -57.27 -51.74 68.16 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.491 1.12 . . . . 0.0 109.306 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 9.9 mt-30 -50.91 -45.4 60.32 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.471 1.107 . . . . 0.0 110.337 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 133' ' ' ALA . . . . . 0.568 ' HB2' ' CZ ' ' A' ' 55' ' ' PHE . . . -52.36 -45.04 65.56 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.413 1.07 . . . . 0.0 109.254 179.944 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 38.9 mt . . . . . 0 C--N 1.324 -0.537 0 O-C-N 124.527 1.142 . . . . 0.0 109.34 -179.999 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 3.2 mm? . . . . . 0 N--CA 1.454 -0.246 0 N-CA-C 109.301 -0.629 . . . . 0.0 109.301 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 17.8 mttt -127.25 156.43 41.91 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.475 1.11 . . . . 0.0 109.274 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 6.6 p -87.19 176.46 7.56 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.407 1.067 . . . . 0.0 110.474 179.927 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -71.86 -12.04 61.09 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.589 1.181 . . . . 0.0 109.345 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 4.0 p-10 -101.14 27.1 6.38 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.536 1.147 . . . . 0.0 109.29 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 46.38 62.82 2.12 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.48 1.113 . . . . 0.0 109.307 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -136.0 149.82 69.56 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.555 1.159 . . . . 0.0 110.248 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.01 120.96 6.28 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.47 1.774 . . . . 0.0 110.992 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -63.72 -23.2 67.27 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.474 1.109 . . . . 0.0 109.255 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 12.2 p -64.12 -26.34 68.49 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.561 1.163 . . . . 0.0 110.062 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -58.32 -38.56 69.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.545 1.153 . . . . 0.0 109.323 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 18.1 m-85 -85.71 3.91 38.99 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.457 1.098 . . . . 0.0 110.971 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.463 ' O ' ' CG ' ' A' ' 22' ' ' LYS . 0.1 OUTLIER -115.88 114.32 24.55 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.46 1.1 . . . . 0.0 109.319 179.941 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . 0.463 ' CG ' ' O ' ' A' ' 21' ' ' LEU . 0.1 OUTLIER 169.3 -176.79 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.494 1.121 . . . . 0.0 109.284 -179.987 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . 0.421 ' O ' ' C ' ' A' ' 24' ' ' ASP . 0.2 OUTLIER 65.56 23.71 11.76 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.386 1.053 . . . . 0.0 109.281 179.968 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . 0.421 ' C ' ' O ' ' A' ' 23' ' ' LYS . 15.0 m-20 39.18 40.05 0.47 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.563 1.165 . . . . 0.0 109.294 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 8.1 mttp -101.8 162.55 20.04 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.568 1.167 . . . . 0.0 109.287 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.07 156.56 42.71 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.442 1.759 . . . . 0.0 110.992 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 33.8 m -130.22 141.81 50.61 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.608 1.193 . . . . 0.0 110.464 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.559 HD21 ' CE3' ' A' ' 111' ' ' TRP . 12.0 tp -126.28 130.51 51.01 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.582 1.176 . . . . 0.0 109.259 -179.908 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . 0.408 ' CD1' HG12 ' A' ' 114' ' ' ILE . 5.4 mp -110.27 149.65 13.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.482 1.114 . . . . 0.0 109.249 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.532 ' HB2' ' CE3' ' A' ' 111' ' ' TRP . 0.7 OUTLIER -138.61 119.2 13.95 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.518 1.136 . . . . 0.0 109.326 179.98 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . 0.582 ' HB3' ' CE1' ' A' ' 108' ' ' TYR . 25.6 m-85 -91.45 131.31 37.0 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.507 1.129 . . . . 0.0 110.967 -179.937 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' TRP . . . . . 0.561 ' CZ3' HD23 ' A' ' 43' ' ' LEU . 8.7 p-90 -134.77 167.61 20.55 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.518 1.136 . . . . 0.0 107.981 179.933 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . 0.495 ' CB ' ' CE2' ' A' ' 35' ' ' TRP . . . -131.84 133.1 44.29 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.432 1.083 . . . . 0.0 109.277 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 28.0 t -59.56 -17.64 34.32 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.452 1.095 . . . . 0.0 110.062 179.929 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' TRP . . . . . 0.495 ' CE2' ' CB ' ' A' ' 33' ' ' ALA . 16.9 p-90 -92.29 -15.64 27.14 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.519 1.137 . . . . 0.0 108.022 179.919 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 42.0 t -77.45 115.27 48.01 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.508 1.13 . . . . 0.0 108.245 -179.929 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.95 -33.72 4.44 Favored 'Trans proline' 0 C--N 1.359 1.097 0 O-C-N 124.505 1.792 . . . . 0.0 110.994 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 1.6 tm? -65.66 -31.23 72.14 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.483 1.114 . . . . 0.0 109.352 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . 0.449 ' O ' ' N ' ' A' ' 43' ' ' LEU . 52.2 m -78.03 -42.95 30.78 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.53 1.144 . . . . 0.0 108.354 179.884 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 2.3 mt -51.27 -41.86 60.7 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.569 1.168 . . . . 0.0 109.304 179.929 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 83.8 p -75.36 -25.28 57.6 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.449 1.093 . . . . 0.0 110.042 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . 0.419 ' O ' ' N ' ' A' ' 46' ' ' THR . 1.8 tp10 -87.56 -10.9 50.31 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.54 1.15 . . . . 0.0 110.27 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.561 HD23 ' CZ3' ' A' ' 32' ' ' TRP . 26.1 mt -53.84 -49.98 67.23 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.539 1.149 . . . . 0.0 109.291 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -67.96 -43.83 80.82 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.405 1.066 . . . . 0.0 110.979 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . 0.46 ' CG ' ' CE2' ' A' ' 49' ' ' TRP . 0.1 OUTLIER -64.06 -30.8 71.84 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.575 0.809 . . . . 0.0 110.27 -179.96 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' THR . . . . . 0.419 ' N ' ' O ' ' A' ' 42' ' ' GLU . 89.5 m -74.47 -39.22 62.63 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.472 1.108 . . . . 0.0 110.468 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 34.6 tt0 -69.0 -31.12 69.72 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.565 1.165 . . . . 0.0 110.357 179.904 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . 0.413 ' O ' ' HG3' ' A' ' 51' ' ' GLN . 7.4 tptm -78.32 -54.44 6.2 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.506 1.129 . . . . 0.0 109.373 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' TRP . . . . . 0.522 ' CE2' ' HB2' ' A' ' 130' ' ' GLU . 47.9 m0 -56.75 -26.37 57.19 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 108.027 -1.101 . . . . 0.0 108.027 179.929 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -74.81 -10.6 59.67 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.622 1.201 . . . . 0.0 109.273 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . 0.458 ' NE2' ' O ' ' A' ' 51' ' ' GLN . 0.0 OUTLIER -109.95 -8.86 14.8 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.433 1.083 . . . . 0.0 110.267 -179.96 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . 0.43 ' OD1' ' N ' ' A' ' 54' ' ' LYS . 3.7 t0 -61.44 127.94 33.89 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.475 1.109 . . . . 0.0 109.311 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -55.38 -49.61 71.85 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.447 1.092 . . . . 0.0 109.311 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . 0.43 ' N ' ' OD1' ' A' ' 52' ' ' ASP . 14.3 mmtt -48.92 -37.82 20.99 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.545 1.153 . . . . 0.0 109.301 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . 0.557 ' CE1' HD11 ' A' ' 60' ' ' LEU . 0.1 OUTLIER -76.91 -27.79 55.05 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.482 1.114 . . . . 0.0 110.96 -179.986 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 9.3 t -46.54 -31.16 2.6 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.468 1.105 . . . . 0.0 110.006 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 1.4 m -45.9 -53.23 10.18 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.469 1.106 . . . . 0.0 110.022 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -111.02 165.61 11.74 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.47 1.106 . . . . 0.0 109.341 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 3.9 m-20 -89.18 125.21 34.97 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.494 1.121 . . . . 0.0 109.221 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.557 HD11 ' CE1' ' A' ' 55' ' ' PHE . 3.2 tt -115.69 127.11 54.91 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.503 1.127 . . . . 0.0 109.301 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . 0.429 HG21 ' CB ' ' A' ' 90' ' ' PRO . 0.2 OUTLIER -149.88 160.81 4.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.498 1.124 . . . . 0.0 109.3 -179.967 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' THR . . . . . 0.544 ' HB ' ' CD1' ' A' ' 32' ' ' TRP . 61.6 p -112.11 152.31 28.42 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.529 1.143 . . . . 0.0 110.348 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 2.3 t -123.63 142.29 40.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.461 1.101 . . . . 0.0 109.26 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -134.45 140.06 45.97 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.565 1.166 . . . . 0.0 109.351 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' SER . . . . . 0.444 ' CB ' ' HB3' ' A' ' 68' ' ' PHE . 15.8 m -112.37 107.66 55.21 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.562 1.164 . . . . 0.0 109.961 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . 0.423 ' HB2' ' N ' ' A' ' 74' ' ' ASP . 18.3 Cg_endo -75.01 137.96 22.38 Favored 'Trans proline' 0 C--N 1.359 1.11 0 O-C-N 124.646 1.866 . . . . 0.0 110.993 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 66.76 8.21 46.39 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.59 1.181 . . . . 0.0 110.991 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . 0.559 ' CD2' HD12 ' A' ' 69' ' ' LEU . 8.6 t80 -121.08 138.72 54.05 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.528 0.781 . . . . 0.0 110.958 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.565 HD21 ' CE2' ' A' ' 108' ' ' TYR . 8.7 mp 68.56 20.11 8.48 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.529 1.143 . . . . 0.0 109.285 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER 70.28 37.54 1.58 Allowed 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.563 1.164 . . . . 0.0 109.514 179.902 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . 0.419 ' O ' ' C ' ' A' ' 72' ' ' LYS . 0.2 OUTLIER -103.85 149.89 24.64 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.429 1.081 . . . . 0.0 110.298 179.991 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . 0.419 ' C ' ' O ' ' A' ' 71' ' ' GLU . 3.3 mmtm -39.24 135.94 0.94 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.456 1.097 . . . . 0.0 109.337 179.889 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -63.79 166.26 7.42 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.51 1.132 . . . . 0.0 109.346 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' ASP . . . . . 0.423 ' N ' ' HB2' ' A' ' 66' ' ' PRO . 4.8 t70 -66.67 147.25 53.53 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.483 1.115 . . . . 0.0 109.326 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 88.83 -48.91 3.55 Favored Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.583 1.177 . . . . 0.0 111.015 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -76.01 -32.65 59.5 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.461 0.742 . . . . 0.0 109.29 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 57.6 t80 -72.05 -53.36 13.11 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.51 1.131 . . . . 0.0 111.082 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 16.6 pt20 -55.13 -32.99 62.51 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.477 1.111 . . . . 0.0 110.306 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.87 -39.3 72.96 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.5 1.125 . . . . 0.0 109.294 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 80' ' ' TRP . . . . . . . . . . . . . 39.7 t90 . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.593 1.183 . . . . 0.0 107.997 -179.962 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.301 0 N-CA-C 109.296 -0.631 . . . . 0.0 109.296 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . 0.402 HD12 ' N ' ' A' ' 90' ' ' PRO . 0.1 OUTLIER -105.6 137.27 19.26 Favored Pre-proline 0 C--N 1.324 -0.525 0 O-C-N 124.573 1.171 . . . . 0.0 109.309 179.977 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 90' ' ' PRO . . . . . 0.429 ' CB ' HG21 ' A' ' 61' ' ' ILE . 18.5 Cg_endo -74.94 127.32 10.64 Favored 'Trans proline' 0 C--N 1.359 1.115 0 O-C-N 124.501 1.79 . . . . 0.0 111.088 179.853 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 88.8 t -142.73 118.13 5.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.477 1.111 . . . . 0.0 109.389 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 43.4 t -109.65 136.92 44.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.477 1.111 . . . . 0.0 109.347 -179.906 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 2.3 p -124.78 118.59 26.74 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.42 1.075 . . . . 0.0 110.377 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 56.2 t0 -114.71 112.1 22.32 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.575 1.172 . . . . 0.0 109.275 -179.903 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -54.77 115.21 2.04 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.477 1.11 . . . . 0.0 109.282 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 88.23 -22.11 21.07 Favored Glycine 0 CA--C 1.529 0.921 0 O-C-N 124.498 1.124 . . . . 0.0 111.031 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 73.19 61.72 3.35 Favored Glycine 0 CA--C 1.531 1.034 0 N-CA-C 110.916 -0.874 . . . . 0.0 110.916 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 98' ' ' THR . . . . . 0.514 ' O ' ' CB ' ' A' ' 102' ' ' SER . 1.4 m -58.19 -37.53 74.93 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.526 0.78 . . . . 0.0 110.373 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 2.4 mt -72.9 -30.26 31.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.593 1.183 . . . . 0.0 109.343 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -76.62 -49.26 16.7 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.43 1.082 . . . . 0.0 109.295 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 5.6 pt20 -70.31 -29.06 65.69 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.475 1.109 . . . . 0.0 110.276 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 102' ' ' SER . . . . . 0.514 ' CB ' ' O ' ' A' ' 98' ' ' THR . 12.6 t -67.81 -34.61 77.09 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.599 1.187 . . . . 0.0 110.104 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . 0.451 ' HB3' ' CD1' ' A' ' 123' ' ' ILE . 2.6 mt -107.7 9.9 29.04 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.501 1.125 . . . . 0.0 109.314 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 15.9 t-20 50.28 68.57 0.74 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.4 1.062 . . . . 0.0 109.258 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 105' ' ' ILE . . . . . 0.48 HD12 ' CZ ' ' A' ' 31' ' ' PHE . 48.9 mt -112.49 106.44 20.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.446 1.091 . . . . 0.0 109.311 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 11.5 p -131.17 34.16 4.05 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.554 1.159 . . . . 0.0 110.062 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 2.4 p -145.83 132.91 14.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.428 1.08 . . . . 0.0 109.325 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 108' ' ' TYR . . . . . 0.582 ' CE1' ' HB3' ' A' ' 31' ' ' PHE . 21.9 m-30 -130.52 152.67 80.76 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.552 1.158 . . . . 0.0 110.957 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 109' ' ' PRO . . . . . 0.505 ' C ' ' HA ' ' A' ' 108' ' ' TYR . 18.2 Cg_endo -75.05 166.89 82.05 Favored 'Cis proline' 0 C--N 1.361 1.22 0 C-N-CA 121.04 -2.483 . . . . 0.0 111.02 0.015 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 1.4 m -145.51 155.79 43.31 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.483 1.114 . . . . 0.0 109.984 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 111' ' ' TRP . . . . . 0.559 ' CE3' HD21 ' A' ' 28' ' ' LEU . 88.6 m95 -129.28 142.1 50.93 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 107.991 -1.114 . . . . 0.0 107.991 -179.949 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -127.29 138.58 53.09 Favored 'General case' 0 C--N 1.323 -0.557 0 O-C-N 124.592 1.182 . . . . 0.0 109.355 179.909 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 22.3 tp -109.1 127.61 54.29 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.527 1.142 . . . . 0.0 109.3 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 114' ' ' ILE . . . . . 0.408 HG12 ' CD1' ' A' ' 29' ' ' ILE . 43.1 mm -119.78 115.76 48.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 O-C-N 124.555 1.16 . . . . 0.0 109.285 -179.956 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -43.54 167.49 0.02 OUTLIER Glycine 0 CA--C 1.529 0.946 0 O-C-N 124.445 1.091 . . . . 0.0 111.037 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 6.8 pttt -69.43 -13.64 62.47 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.487 0.757 . . . . 0.0 109.295 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -87.3 -21.65 25.62 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.547 1.154 . . . . 0.0 109.322 179.946 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . 103.2 25.02 7.63 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.508 1.13 . . . . 0.0 111.087 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 4.7 p-10 -112.21 152.61 28.19 Favored 'General case' 0 C--N 1.327 -0.394 0 O-C-N 124.492 0.76 . . . . 0.0 109.272 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 55.9 t -58.13 113.18 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.554 1.159 . . . . 0.0 109.299 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 3.2 mt-30 -86.49 -57.6 2.94 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.446 1.091 . . . . 0.0 110.341 179.931 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 2.1 ttt180 -158.22 158.16 33.98 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.537 1.148 . . . . 0.0 110.187 -179.935 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 123' ' ' ILE . . . . . 0.451 ' CD1' ' HB3' ' A' ' 103' ' ' LEU . 1.0 OUTLIER -115.01 135.38 55.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.491 1.119 . . . . 0.0 109.302 179.914 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 62.7 t -129.69 131.66 66.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.516 1.135 . . . . 0.0 109.368 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 14.9 ptmt -114.19 135.43 54.06 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.642 1.213 . . . . 0.0 109.226 -179.923 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . 123.55 -134.14 9.23 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.493 1.121 . . . . 0.0 110.948 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -152.84 153.78 33.79 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.458 0.74 . . . . 0.0 109.951 -179.93 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 128' ' ' ILE . . . . . . . . . . . . . 5.3 pt -129.63 163.52 34.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.602 1.189 . . . . 0.0 109.317 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 129' ' ' ASN . . . . . . . . . . . . . 3.1 p30 -108.58 167.97 9.66 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.573 1.171 . . . . 0.0 109.242 -179.942 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 130' ' ' GLU . . . . . 0.522 ' HB2' ' CE2' ' A' ' 49' ' ' TRP . 16.5 tt0 -50.7 -38.19 45.63 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.572 1.17 . . . . 0.0 110.279 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -57.73 -51.86 67.84 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.505 1.128 . . . . 0.0 109.293 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -51.82 -45.44 63.93 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.507 1.129 . . . . 0.0 110.275 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -64.59 -35.79 82.13 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.597 1.186 . . . . 0.0 109.291 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 2.8 mt . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.415 1.072 . . . . 0.0 109.319 179.933 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 3.3 mm? . . . . . 0 N--CA 1.453 -0.296 0 N-CA-C 109.206 -0.664 . . . . 0.0 109.206 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 3.7 mmmt -101.14 149.89 23.51 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.564 1.165 . . . . 0.0 109.329 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 33.4 p -80.85 172.53 13.63 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.541 1.151 . . . . 0.0 110.412 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -70.73 -6.61 38.72 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.467 1.104 . . . . 0.0 109.276 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -99.56 16.55 22.98 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.479 1.112 . . . . 0.0 109.311 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER 56.76 40.74 28.93 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.494 1.121 . . . . 0.0 109.284 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 12.2 mmt180 -120.23 151.9 53.93 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.485 1.116 . . . . 0.0 110.301 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.07 121.7 6.71 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.473 1.776 . . . . 0.0 110.95 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -53.44 -27.94 27.46 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.509 1.13 . . . . 0.0 109.276 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -55.43 -18.76 7.55 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.551 1.157 . . . . 0.0 110.015 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 40.8 t -69.6 -25.01 27.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.533 1.145 . . . . 0.0 109.183 -179.903 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 9.9 m-85 -109.9 23.71 14.01 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.492 1.12 . . . . 0.0 110.919 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.495 ' O ' ' CG ' ' A' ' 22' ' ' LYS . 0.2 OUTLIER -142.78 119.78 11.35 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.517 1.136 . . . . 0.0 109.339 179.948 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . 0.495 ' CG ' ' O ' ' A' ' 21' ' ' LEU . 0.0 OUTLIER 163.95 -172.42 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.402 1.064 . . . . 0.0 109.355 -179.945 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . 0.406 ' O ' ' C ' ' A' ' 24' ' ' ASP . 0.0 OUTLIER 65.63 27.26 11.45 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.545 1.153 . . . . 0.0 109.297 -179.985 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . 0.406 ' C ' ' O ' ' A' ' 23' ' ' LYS . 23.7 m-20 40.16 39.23 0.61 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.431 1.082 . . . . 0.0 109.293 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.415 ' CE ' ' O ' ' A' ' 57' ' ' SER . 6.4 mttp -103.57 162.25 20.58 Favored Pre-proline 0 C--N 1.323 -0.555 0 O-C-N 124.539 1.149 . . . . 0.0 109.343 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.7 Cg_endo -74.97 146.58 32.94 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.464 1.771 . . . . 0.0 111.057 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 3.4 m -120.97 133.26 55.27 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.564 1.165 . . . . 0.0 110.434 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 8.6 tt -110.98 142.92 42.47 Favored 'General case' 0 C--N 1.323 -0.565 0 O-C-N 124.455 1.097 . . . . 0.0 109.337 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . 0.474 ' CG2' HG21 ' A' ' 63' ' ' VAL . 4.0 mm -118.39 147.44 21.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.504 1.127 . . . . 0.0 109.27 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.524 ' HG3' ' CD2' ' A' ' 111' ' ' TRP . 0.0 OUTLIER -138.87 113.35 8.93 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.5 1.125 . . . . 0.0 109.365 -179.971 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . 0.564 ' HB3' ' CE1' ' A' ' 108' ' ' TYR . 35.7 m-85 -90.18 126.44 35.81 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.444 1.09 . . . . 0.0 110.956 -179.933 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' TRP . . . . . 0.46 ' CD1' ' HB ' ' A' ' 62' ' ' THR . 5.7 p-90 -132.42 166.6 21.63 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.577 1.173 . . . . 0.0 108.022 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -133.73 156.02 48.7 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.421 1.076 . . . . 0.0 109.302 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' SER . . . . . 0.6 ' OG ' ' CH2' ' A' ' 80' ' ' TRP . 6.3 t -78.68 -24.79 44.87 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.5 1.125 . . . . 0.0 110.027 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 20.1 p-90 -81.31 -6.86 59.35 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.474 1.109 . . . . 0.0 108.016 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 48.3 t -97.45 110.6 55.42 Favored Pre-proline 0 C--N 1.326 -0.428 0 O-C-N 124.458 1.099 . . . . 0.0 108.307 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.09 -37.46 1.98 Allowed 'Trans proline' 0 C--N 1.359 1.094 0 O-C-N 124.534 1.808 . . . . 0.0 110.996 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 1.7 tt -62.41 -27.99 69.47 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 0.0 109.267 179.926 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 19.5 m -78.44 -50.13 12.22 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.527 1.142 . . . . 0.0 108.293 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.462 ' HA ' ' CD1' ' A' ' 43' ' ' LEU . 13.2 mt -51.81 -46.89 64.45 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.471 1.107 . . . . 0.0 109.189 -179.895 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 10.5 p -69.34 -25.4 64.18 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.595 1.184 . . . . 0.0 109.974 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -80.8 -24.96 38.17 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.434 1.084 . . . . 0.0 110.302 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.462 ' CD1' ' HA ' ' A' ' 40' ' ' LEU . 78.7 mt -49.2 -52.79 24.67 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.555 1.159 . . . . 0.0 109.28 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -52.6 -49.22 53.73 Favored Glycine 0 CA--C 1.529 0.915 0 O-C-N 124.53 1.143 . . . . 0.0 111.007 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . 0.492 ' HG2' ' CZ2' ' A' ' 49' ' ' TRP . 1.2 tt0 -63.84 -36.42 83.86 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.429 0.723 . . . . 0.0 110.258 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 8.3 m -67.72 -30.18 69.61 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.415 1.072 . . . . 0.0 110.397 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . 0.401 ' OE2' ' C ' ' A' ' 88' ' ' LYS . 22.2 tt0 -67.42 -36.93 82.23 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.377 1.048 . . . . 0.0 110.216 -179.897 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 3.6 tttt -78.51 -30.15 47.01 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.496 1.123 . . . . 0.0 109.227 -179.913 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' TRP . . . . . 0.492 ' CZ2' ' HG2' ' A' ' 45' ' ' GLN . 46.6 m0 -77.47 -30.16 53.04 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.494 1.121 . . . . 0.0 108.03 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -76.59 -15.86 59.73 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.571 1.169 . . . . 0.0 109.273 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -112.53 5.72 18.1 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.553 1.158 . . . . 0.0 110.286 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . 0.408 ' O ' ' N ' ' A' ' 56' ' ' SER . 1.4 t0 -75.09 129.12 37.04 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.526 1.141 . . . . 0.0 109.274 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -51.3 -50.71 58.82 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.582 1.176 . . . . 0.0 109.291 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -49.73 -43.41 47.79 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.507 1.129 . . . . 0.0 109.343 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . 0.485 ' CZ ' ' CB ' ' A' ' 133' ' ' ALA . 0.1 OUTLIER -77.0 -27.84 54.81 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.515 1.135 . . . . 0.0 111.006 179.981 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' SER . . . . . 0.408 ' N ' ' O ' ' A' ' 52' ' ' ASP . 9.5 t -46.43 -36.94 7.04 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.374 1.047 . . . . 0.0 110.006 179.928 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' SER . . . . . 0.415 ' O ' ' CE ' ' A' ' 25' ' ' LYS . 12.5 t -39.04 -54.4 1.7 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.476 1.11 . . . . 0.0 110.055 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -108.71 165.26 11.68 Favored 'General case' 0 N--CA 1.451 -0.422 0 O-C-N 124.352 1.032 . . . . 0.0 109.329 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 18.6 m-20 -89.42 122.7 32.87 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.426 1.079 . . . . 0.0 109.39 179.93 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.5 ' C ' ' CD2' ' A' ' 60' ' ' LEU . 2.8 tt -113.05 133.15 55.11 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.436 1.085 . . . . 0.0 109.301 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . 0.422 ' HA ' ' HG2' ' A' ' 90' ' ' PRO . 15.0 pt -151.51 160.66 3.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.526 1.141 . . . . 0.0 109.349 179.943 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' THR . . . . . 0.46 ' HB ' ' CD1' ' A' ' 32' ' ' TRP . 47.3 p -112.75 147.83 36.03 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.505 1.128 . . . . 0.0 110.374 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . 0.474 HG21 ' CG2' ' A' ' 29' ' ' ILE . 2.2 t -118.17 144.25 26.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.451 1.094 . . . . 0.0 109.337 179.944 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . 0.466 ' N ' ' O ' ' A' ' 92' ' ' VAL . . . -134.38 142.36 47.16 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.402 1.064 . . . . 0.0 109.393 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' SER . . . . . 0.466 ' CB ' ' HB3' ' A' ' 68' ' ' PHE . 19.9 m -119.36 108.62 39.65 Favored Pre-proline 0 C--N 1.324 -0.518 0 O-C-N 124.47 1.106 . . . . 0.0 109.961 -179.939 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . 0.421 ' HB2' ' N ' ' A' ' 74' ' ' ASP . 18.4 Cg_endo -75.04 137.12 21.2 Favored 'Trans proline' 0 C--N 1.359 1.111 0 O-C-N 124.559 1.82 . . . . 0.0 110.955 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 68.19 8.53 54.88 Favored Glycine 0 CA--C 1.532 1.127 0 O-C-N 124.489 1.118 . . . . 0.0 110.952 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . 0.466 ' HB3' ' CB ' ' A' ' 65' ' ' SER . 52.3 t80 -118.95 132.13 56.06 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.572 0.807 . . . . 0.0 111.017 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER 69.99 41.98 1.06 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.508 1.13 . . . . 0.0 109.234 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 51.2 m80 62.35 19.6 11.2 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.435 1.084 . . . . 0.0 109.538 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 29.3 tp10 -82.89 161.35 21.91 Favored 'General case' 0 C--N 1.323 -0.545 0 O-C-N 124.558 1.162 . . . . 0.0 110.32 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.9 140.56 58.29 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.542 1.151 . . . . 0.0 109.249 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 44.7 tttt -64.78 160.79 19.41 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.54 1.15 . . . . 0.0 109.281 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' ASP . . . . . 0.421 ' N ' ' HB2' ' A' ' 66' ' ' PRO . 0.0 OUTLIER -59.85 146.03 43.47 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.507 1.129 . . . . 0.0 109.229 -179.987 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 87.79 -36.12 3.41 Favored Glycine 0 CA--C 1.529 0.917 0 O-C-N 124.533 1.146 . . . . 0.0 111.014 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -76.23 -58.45 3.28 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.462 0.742 . . . . 0.0 109.281 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 8.7 t80 -57.31 -30.23 64.58 Favored 'General case' 0 C--N 1.323 -0.558 0 O-C-N 124.434 1.084 . . . . 0.0 110.952 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 9.2 mt-30 -74.1 -29.93 62.09 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.495 1.122 . . . . 0.0 110.324 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.04 -30.3 39.4 Favored 'General case' 0 C--N 1.323 -0.549 0 O-C-N 124.432 1.082 . . . . 0.0 109.294 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 80' ' ' TRP . . . . . 0.6 ' CH2' ' OG ' ' A' ' 34' ' ' SER . 15.2 t90 . . . . . 0 C--N 1.325 -0.463 0 O-C-N 124.54 1.15 . . . . 0.0 108.054 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . 0.401 ' C ' ' OE2' ' A' ' 47' ' ' GLU . 0.8 OUTLIER . . . . . 0 N--CA 1.452 -0.337 0 N-CA-C 109.253 -0.647 . . . . 0.0 109.253 . . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . 0.464 ' CD1' ' HD2' ' A' ' 90' ' ' PRO . 0.1 OUTLIER -136.97 136.01 20.62 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.421 1.076 . . . . 0.0 109.338 179.969 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 90' ' ' PRO . . . . . 0.464 ' HD2' ' CD1' ' A' ' 89' ' ' LEU . 18.2 Cg_endo -75.05 126.15 9.75 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.605 1.845 . . . . 0.0 111.003 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 38.3 t -135.04 120.73 30.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.489 1.118 . . . . 0.0 109.307 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . 0.466 ' O ' ' N ' ' A' ' 64' ' ' ALA . 11.6 t -117.64 137.08 52.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.518 1.137 . . . . 0.0 109.327 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 10.9 p -121.11 121.76 38.56 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.483 1.114 . . . . 0.0 110.434 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 61.8 t0 -114.92 111.18 20.76 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.438 1.086 . . . . 0.0 109.343 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 14.0 t-20 -60.79 111.93 1.83 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.507 1.129 . . . . 0.0 109.307 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . 0.427 ' O ' ' NE2' ' A' ' 101' ' ' GLN . . . 88.82 -23.61 16.28 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.4 1.063 . . . . 0.0 111.042 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 70.32 73.66 0.75 Allowed Glycine 0 CA--C 1.53 1.013 0 N-CA-C 110.966 -0.854 . . . . 0.0 110.966 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 5.2 m -63.5 -48.44 77.61 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.518 0.775 . . . . 0.0 110.44 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 3.9 mt -68.79 -38.91 79.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.497 1.123 . . . . 0.0 109.276 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 100' ' ' ALA . . . . . 0.413 ' O ' ' N ' ' A' ' 105' ' ' ILE . . . -61.92 -47.88 82.95 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.495 1.122 . . . . 0.0 109.284 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 101' ' ' GLN . . . . . 0.427 ' NE2' ' O ' ' A' ' 96' ' ' GLY . 65.7 mt-30 -74.46 -31.52 62.28 Favored 'General case' 0 C--N 1.323 -0.552 0 O-C-N 124.53 1.143 . . . . 0.0 110.328 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 42.4 t -66.74 -29.19 69.1 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.501 1.125 . . . . 0.0 109.998 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . 0.471 ' CD1' HG22 ' A' ' 120' ' ' VAL . 23.6 mt -108.66 8.77 27.14 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.493 1.12 . . . . 0.0 109.338 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 14.6 t-20 50.27 68.31 0.78 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.522 1.139 . . . . 0.0 109.254 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 105' ' ' ILE . . . . . 0.558 HD12 ' CZ ' ' A' ' 31' ' ' PHE . 37.7 mt -111.24 100.03 9.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.513 1.133 . . . . 0.0 109.238 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 25.2 p -125.85 34.06 4.96 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.507 1.13 . . . . 0.0 110.031 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 1.5 p -145.3 132.22 15.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.524 1.14 . . . . 0.0 109.317 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 108' ' ' TYR . . . . . 0.564 ' CE1' ' HB3' ' A' ' 31' ' ' PHE . 22.9 m-85 -131.1 152.55 80.85 Favored Pre-proline 0 C--N 1.324 -0.515 0 O-C-N 124.504 1.128 . . . . 0.0 111.033 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 109' ' ' PRO . . . . . 0.504 ' C ' ' HA ' ' A' ' 108' ' ' TYR . 18.1 Cg_endo -75.0 160.37 96.65 Favored 'Cis proline' 0 C--N 1.359 1.126 0 C-N-CA 120.942 -2.524 . . . . 0.0 110.964 0.002 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -134.67 155.79 49.9 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.56 1.163 . . . . 0.0 109.975 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 111' ' ' TRP . . . . . 0.55 ' CE3' HD13 ' A' ' 128' ' ' ILE . 39.1 m95 -134.27 138.75 45.24 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 107.962 -1.125 . . . . 0.0 107.962 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -133.06 137.55 46.45 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.552 1.157 . . . . 0.0 109.324 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 27.2 tp -109.49 122.83 48.28 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.436 1.085 . . . . 0.0 109.285 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 114' ' ' ILE . . . . . 0.455 ' N ' ' CD1' ' A' ' 114' ' ' ILE . 1.1 mp -107.78 123.43 63.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.514 1.134 . . . . 0.0 109.277 -179.936 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 115' ' ' GLY . . . . . 0.406 ' N ' ' HB2' ' A' ' 121' ' ' GLN . . . -47.41 171.6 0.04 OUTLIER Glycine 0 CA--C 1.529 0.93 0 O-C-N 124.577 1.173 . . . . 0.0 111.078 179.897 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.64 -15.3 63.17 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.452 0.736 . . . . 0.0 109.293 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -82.26 -19.89 38.67 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.513 1.133 . . . . 0.0 109.272 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 118' ' ' GLY . . . . . 0.42 ' HA2' ' CG2' ' A' ' 114' ' ' ILE . . . 98.76 23.75 11.58 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.463 1.102 . . . . 0.0 110.926 179.945 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 1.2 p-10 -115.99 153.19 32.09 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.435 0.726 . . . . 0.0 109.252 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 120' ' ' VAL . . . . . 0.471 HG22 ' CD1' ' A' ' 103' ' ' LEU . 75.6 t -56.26 114.6 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.445 1.091 . . . . 0.0 109.304 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 121' ' ' GLN . . . . . 0.406 ' HB2' ' N ' ' A' ' 115' ' ' GLY . 15.0 tt0 -94.81 -52.7 4.15 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.544 1.153 . . . . 0.0 110.239 -179.927 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -152.39 141.09 20.91 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.497 1.123 . . . . 0.0 110.232 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 123' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -105.26 139.84 25.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.542 1.151 . . . . 0.0 109.328 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 71.4 t -125.49 135.31 64.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 O-C-N 124.507 1.13 . . . . 0.0 109.199 -179.928 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -116.74 128.05 54.96 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.618 1.199 . . . . 0.0 109.311 179.894 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . 105.13 155.23 22.51 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.576 1.173 . . . . 0.0 110.991 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 127' ' ' SER . . . . . 0.46 ' CB ' ' HG2' ' A' ' 109' ' ' PRO . 0.2 OUTLIER -68.7 159.2 32.63 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.493 0.761 . . . . 0.0 110.025 179.976 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 128' ' ' ILE . . . . . 0.55 HD13 ' CE3' ' A' ' 111' ' ' TRP . 10.7 pt -135.2 168.07 24.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.538 1.149 . . . . 0.0 109.279 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 129' ' ' ASN . . . . . . . . . . . . . 2.0 p30 -106.4 167.32 9.92 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.562 1.163 . . . . 0.0 109.346 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 16.2 tt0 -52.32 -37.29 55.46 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.425 1.078 . . . . 0.0 110.236 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -62.29 -49.93 73.72 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.518 1.136 . . . . 0.0 109.413 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 18.5 mt-30 -51.45 -42.48 61.6 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.504 1.127 . . . . 0.0 110.286 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 133' ' ' ALA . . . . . 0.485 ' CB ' ' CZ ' ' A' ' 55' ' ' PHE . . . -56.17 -39.76 72.86 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.497 1.123 . . . . 0.0 109.31 179.917 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 12.4 mt . . . . . 0 C--N 1.324 -0.508 0 O-C-N 124.448 1.093 . . . . 0.0 109.284 179.971 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . 0.471 ' CD1' ' CD1' ' A' ' 99' ' ' ILE . 62.5 mt . . . . . 0 N--CA 1.453 -0.306 0 N-CA-C 109.228 -0.656 . . . . 0.0 109.228 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 59.9 mttt -142.09 154.65 45.08 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.519 1.137 . . . . 0.0 109.342 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 41.5 p -91.9 175.16 6.98 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.476 1.11 . . . . 0.0 110.462 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -70.98 -7.54 46.89 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.551 1.157 . . . . 0.0 109.292 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -104.06 24.83 10.78 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.489 1.118 . . . . 0.0 109.326 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER 47.44 57.27 6.01 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.472 1.107 . . . . 0.0 109.259 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -133.34 153.41 80.54 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.458 1.099 . . . . 0.0 110.309 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 126.93 10.31 Favored 'Trans proline' 0 C--N 1.361 1.184 0 O-C-N 124.52 1.8 . . . . 0.0 110.97 -179.894 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -58.9 -29.02 66.74 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.453 1.095 . . . . 0.0 109.279 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 23.3 t -50.56 -22.33 1.93 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.521 1.138 . . . . 0.0 109.954 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 6.2 t -61.82 -26.41 39.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.563 1.164 . . . . 0.0 109.316 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 15.1 m-85 -105.86 21.57 17.07 Favored 'General case' 0 C--N 1.327 -0.409 0 O-C-N 124.481 1.113 . . . . 0.0 110.961 -179.936 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -137.49 101.43 4.5 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.508 1.13 . . . . 0.0 109.315 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 174.18 -165.19 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.567 1.167 . . . . 0.0 109.294 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . 0.41 ' O ' ' C ' ' A' ' 24' ' ' ASP . 0.0 OUTLIER 61.04 23.19 13.39 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.445 1.091 . . . . 0.0 109.288 179.945 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . 0.41 ' C ' ' O ' ' A' ' 23' ' ' LYS . 5.4 m-20 39.57 38.84 0.44 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.508 1.13 . . . . 0.0 109.293 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -109.35 161.08 25.29 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.434 1.084 . . . . 0.0 109.265 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.98 146.31 32.59 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.45 1.763 . . . . 0.0 110.971 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 98.3 m -118.15 142.24 47.65 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.4 1.062 . . . . 0.0 110.426 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.485 HD21 ' CZ3' ' A' ' 111' ' ' TRP . 13.7 tp -123.71 124.13 42.06 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.529 1.143 . . . . 0.0 109.328 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 3.0 mt -109.67 148.01 13.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.566 1.166 . . . . 0.0 109.263 -179.936 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.571 ' HB2' ' CE3' ' A' ' 111' ' ' TRP . 0.9 OUTLIER -139.09 113.91 9.26 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.564 1.165 . . . . 0.0 109.302 179.972 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . 0.604 ' CE1' ' CD1' ' A' ' 105' ' ' ILE . 47.5 m-85 -83.38 142.04 31.31 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.524 1.14 . . . . 0.0 111.007 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' TRP . . . . . 0.575 ' CH2' HD23 ' A' ' 43' ' ' LEU . 0.4 OUTLIER -162.34 150.6 14.58 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 107.991 -1.114 . . . . 0.0 107.991 179.965 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -105.99 156.67 18.16 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.442 1.089 . . . . 0.0 109.279 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' SER . . . . . 0.569 ' HB3' ' CZ3' ' A' ' 80' ' ' TRP . 0.6 OUTLIER -76.07 -32.6 59.35 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.544 1.153 . . . . 0.0 110.032 179.985 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 33.8 p-90 -69.32 -13.61 62.47 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.556 1.16 . . . . 0.0 107.972 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 49.2 t -82.14 120.8 78.05 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.536 1.147 . . . . 0.0 108.255 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.95 -53.99 0.09 OUTLIER 'Trans proline' 0 C--N 1.361 1.205 0 O-C-N 124.553 1.818 . . . . 0.0 111.06 179.909 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 5.4 tt -47.93 -32.81 6.82 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.49 1.119 . . . . 0.0 109.354 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 97.5 m -78.76 -43.29 25.92 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.526 1.141 . . . . 0.0 108.265 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.407 ' O ' ' HB2' ' A' ' 43' ' ' LEU . 17.2 mt -52.16 -56.12 16.61 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.48 1.112 . . . . 0.0 109.353 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 24.5 p -57.81 -24.1 55.73 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.566 1.166 . . . . 0.0 109.983 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -76.52 -13.09 60.11 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.452 1.095 . . . . 0.0 110.312 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.575 HD23 ' CH2' ' A' ' 32' ' ' TRP . 24.1 mt -46.39 -49.0 18.55 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.549 1.156 . . . . 0.0 109.227 -179.934 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -77.44 -42.7 17.53 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.512 1.133 . . . . 0.0 110.948 -179.919 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 13.4 tt0 -56.82 -35.92 69.34 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.506 0.768 . . . . 0.0 110.298 -179.931 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 89.6 m -74.01 -40.73 62.72 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.479 1.112 . . . . 0.0 110.437 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . 0.426 ' CG ' ' HB2' ' A' ' 89' ' ' LEU . 0.0 OUTLIER -55.22 -38.1 68.01 Favored 'General case' 0 C--N 1.327 -0.398 0 O-C-N 124.479 1.112 . . . . 0.0 110.301 179.948 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . 0.41 ' HG3' ' N ' ' A' ' 49' ' ' TRP . 10.9 ptmt -78.27 -38.23 43.21 Favored 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.605 1.191 . . . . 0.0 109.315 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' TRP . . . . . 0.461 ' O ' ' CD2' ' A' ' 55' ' ' PHE . 34.5 m0 -64.55 -33.98 77.17 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.461 1.101 . . . . 0.0 108.042 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -79.37 -8.79 59.35 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.534 1.146 . . . . 0.0 109.334 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 1.3 mm-40 -102.54 -10.13 19.58 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.441 1.088 . . . . 0.0 110.267 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.6 t0 -65.01 132.05 48.22 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.5 1.125 . . . . 0.0 109.284 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -59.25 -50.92 72.15 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.445 1.091 . . . . 0.0 109.286 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -48.5 -36.79 15.92 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.453 1.095 . . . . 0.0 109.234 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . 0.564 ' CZ ' ' HB2' ' A' ' 133' ' ' ALA . 0.2 OUTLIER -77.02 -30.49 55.84 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.488 1.118 . . . . 0.0 110.994 179.994 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' SER . . . . . 0.402 ' O ' ' C ' ' A' ' 57' ' ' SER . 1.4 t -46.04 -42.61 13.59 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.615 1.197 . . . . 0.0 110.047 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' SER . . . . . 0.402 ' C ' ' O ' ' A' ' 56' ' ' SER . 1.3 t -38.45 -58.42 1.02 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.423 1.077 . . . . 0.0 110.046 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . 0.427 ' O ' ' O ' ' A' ' 55' ' ' PHE . . . -103.3 166.53 10.37 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.39 1.056 . . . . 0.0 109.229 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 86.2 m-20 -88.8 136.35 33.05 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.439 1.087 . . . . 0.0 109.306 179.93 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.441 HD11 ' CZ ' ' A' ' 55' ' ' PHE . 4.2 tt -124.54 126.37 45.72 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.504 1.128 . . . . 0.0 109.305 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . 0.408 ' HA ' ' HG2' ' A' ' 90' ' ' PRO . 12.1 pt -152.38 160.3 3.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.533 1.146 . . . . 0.0 109.293 179.943 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' THR . . . . . 0.457 ' HB ' ' NE1' ' A' ' 32' ' ' TRP . 28.1 p -109.74 158.08 18.48 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.472 1.108 . . . . 0.0 110.389 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 3.6 t -122.87 142.28 40.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 O-C-N 124.5 1.125 . . . . 0.0 109.276 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . 0.45 ' N ' ' O ' ' A' ' 92' ' ' VAL . . . -134.66 125.52 27.28 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.578 1.174 . . . . 0.0 109.248 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' SER . . . . . 0.468 ' CB ' ' HB3' ' A' ' 68' ' ' PHE . 8.3 m -101.75 107.66 52.77 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.542 1.151 . . . . 0.0 110.013 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . 0.412 ' HB2' ' N ' ' A' ' 74' ' ' ASP . 18.3 Cg_endo -75.01 135.53 19.18 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.529 1.805 . . . . 0.0 110.955 -179.944 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 67.46 12.45 61.32 Favored Glycine 0 CA--C 1.531 1.078 0 O-C-N 124.5 1.125 . . . . 0.0 111.065 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . 0.468 ' HB3' ' CB ' ' A' ' 65' ' ' SER . 72.4 t80 -125.23 137.79 54.11 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.59 0.818 . . . . 0.0 110.998 179.939 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER 63.45 48.6 3.43 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.455 1.097 . . . . 0.0 109.318 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 65.4 m170 51.09 33.79 9.83 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.575 1.172 . . . . 0.0 109.57 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . 0.409 ' HG3' ' N ' ' A' ' 72' ' ' LYS . 21.5 tp10 -97.74 156.36 16.6 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.558 1.161 . . . . 0.0 110.309 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . 0.409 ' N ' ' HG3' ' A' ' 71' ' ' GLU . 0.2 OUTLIER -60.69 138.97 58.02 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.494 1.121 . . . . 0.0 109.319 -179.967 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 10.7 mttt -62.35 165.64 5.82 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.425 1.078 . . . . 0.0 109.383 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' ASP . . . . . 0.412 ' N ' ' HB2' ' A' ' 66' ' ' PRO . 0.6 OUTLIER -63.29 151.81 39.58 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.441 1.088 . . . . 0.0 109.368 179.997 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 83.9 -52.62 4.75 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.56 1.163 . . . . 0.0 111.045 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -73.82 -29.94 62.43 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.364 0.684 . . . . 0.0 109.193 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' PHE . . . . . 0.428 ' CZ ' ' CB ' ' A' ' 64' ' ' ALA . 10.4 t80 -77.63 -57.13 3.98 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.459 1.099 . . . . 0.0 110.988 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 15.4 pt20 -51.95 -28.17 15.67 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.56 1.163 . . . . 0.0 110.299 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -71.61 -48.34 48.69 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.519 1.137 . . . . 0.0 109.328 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 80' ' ' TRP . . . . . 0.569 ' CZ3' ' HB3' ' A' ' 34' ' ' SER . 5.4 t90 . . . . . 0 C--N 1.324 -0.506 0 O-C-N 124.472 1.107 . . . . 0.0 108.045 179.909 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.285 0 N-CA-C 109.243 -0.651 . . . . 0.0 109.243 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . 0.426 ' HB2' ' CG ' ' A' ' 47' ' ' GLU . 0.2 OUTLIER -95.63 140.54 22.38 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.504 1.128 . . . . 0.0 109.326 179.952 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 90' ' ' PRO . . . . . 0.408 ' HG2' ' HA ' ' A' ' 61' ' ' ILE . 18.4 Cg_endo -74.95 127.33 10.63 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.528 1.804 . . . . 0.0 110.976 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 54.9 t -138.54 120.05 16.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.543 1.152 . . . . 0.0 109.195 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . 0.45 ' O ' ' N ' ' A' ' 64' ' ' ALA . 39.8 t -114.47 130.81 68.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.413 1.071 . . . . 0.0 109.219 -179.922 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 2.4 p -112.9 116.76 30.51 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.505 1.128 . . . . 0.0 110.399 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 63.4 t0 -114.85 111.25 20.91 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.582 1.176 . . . . 0.0 109.317 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -58.87 115.11 2.89 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.515 1.135 . . . . 0.0 109.321 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 85.15 -14.74 48.16 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.505 1.128 . . . . 0.0 110.994 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 59.93 67.4 2.18 Favored Glycine 0 CA--C 1.531 1.053 0 N-CA-C 110.961 -0.855 . . . . 0.0 110.961 -179.934 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 98' ' ' THR . . . . . 0.422 ' O ' ' N ' ' A' ' 102' ' ' SER . 1.3 m -53.59 -43.17 68.37 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.5 0.765 . . . . 0.0 110.394 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 99' ' ' ILE . . . . . 0.471 ' CD1' ' CD1' ' A' ' 9' ' ' LEU . 3.5 mt -70.14 -44.73 77.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.524 1.14 . . . . 0.0 109.311 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -57.72 -41.02 80.94 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.645 1.216 . . . . 0.0 109.269 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 2.7 mt-30 -80.34 -37.86 31.68 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.525 1.14 . . . . 0.0 110.244 -179.946 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 102' ' ' SER . . . . . 0.422 ' N ' ' O ' ' A' ' 98' ' ' THR . 47.2 t -61.17 -40.24 93.12 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.496 1.123 . . . . 0.0 109.954 -179.917 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 64.9 mt -85.08 -15.98 42.15 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.398 1.061 . . . . 0.0 109.314 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 46.4 t30 67.67 52.63 0.74 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.495 1.122 . . . . 0.0 109.25 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 105' ' ' ILE . . . . . 0.604 ' CD1' ' CE1' ' A' ' 31' ' ' PHE . 84.9 mt -78.22 -100.63 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.437 1.086 . . . . 0.0 109.297 179.928 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 106' ' ' SER . . . . . 0.463 ' CB ' ' O ' ' A' ' 105' ' ' ILE . 3.2 p 82.54 -6.64 1.32 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.459 1.099 . . . . 0.0 110.083 -179.915 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 2.2 p -119.98 131.82 71.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.52 1.138 . . . . 0.0 109.24 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 108' ' ' TYR . . . . . 0.586 ' CE1' ' HB3' ' A' ' 31' ' ' PHE . 22.4 m-85 -131.54 153.74 81.65 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.552 1.157 . . . . 0.0 110.947 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 109' ' ' PRO . . . . . 0.508 ' C ' ' HA ' ' A' ' 108' ' ' TYR . 18.4 Cg_endo -75.06 167.49 80.27 Favored 'Cis proline' 0 C--N 1.359 1.112 0 C-N-CA 121.015 -2.494 . . . . 0.0 110.918 -0.038 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -142.58 166.0 25.85 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.433 1.083 . . . . 0.0 110.058 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 111' ' ' TRP . . . . . 0.571 ' CE3' ' HB2' ' A' ' 30' ' ' LYS . 76.9 m95 -141.93 141.23 32.95 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.593 1.183 . . . . 0.0 108.009 -179.949 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -133.51 135.88 44.71 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.472 1.108 . . . . 0.0 109.282 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 49.4 tp -108.73 133.94 52.13 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.523 1.139 . . . . 0.0 109.285 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 20.1 mm -122.38 128.13 75.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.492 1.12 . . . . 0.0 109.279 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 115' ' ' GLY . . . . . 0.405 ' CA ' ' HG2' ' A' ' 121' ' ' GLN . . . -52.58 168.16 0.88 Allowed Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.437 1.085 . . . . 0.0 110.906 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.18 -7.41 49.02 Favored 'General case' 0 C--N 1.327 -0.406 0 O-C-N 124.426 0.721 . . . . 0.0 109.269 -179.9 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 9.9 m-20 -103.72 1.43 31.78 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.481 1.113 . . . . 0.0 109.347 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . 80.74 33.77 29.6 Favored Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.512 1.133 . . . . 0.0 111.022 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 2.1 p30 -117.58 135.52 53.91 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.526 0.78 . . . . 0.0 109.298 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 53.0 t -44.68 116.19 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.473 1.108 . . . . 0.0 109.245 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 121' ' ' GLN . . . . . 0.405 ' HG2' ' CA ' ' A' ' 115' ' ' GLY . 5.3 mm-40 -93.02 -62.12 1.44 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.449 1.093 . . . . 0.0 110.27 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 2.7 tpt85 -158.28 137.49 11.61 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.434 1.084 . . . . 0.0 110.329 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 123' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -98.39 137.46 25.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.528 1.142 . . . . 0.0 109.366 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 42.3 t -124.94 130.88 73.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.473 1.108 . . . . 0.0 109.298 -179.935 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -116.2 134.12 55.26 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.503 1.127 . . . . 0.0 109.313 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . 115.11 -154.04 17.24 Favored Glycine 0 CA--C 1.532 1.099 0 O-C-N 124.414 1.071 . . . . 0.0 110.959 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -124.44 138.0 54.39 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.597 0.821 . . . . 0.0 109.964 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 128' ' ' ILE . . . . . . . . . . . . . 11.3 pt -115.67 162.62 13.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.541 1.151 . . . . 0.0 109.328 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 129' ' ' ASN . . . . . . . . . . . . . 2.2 p30 -108.92 167.57 9.99 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.458 1.099 . . . . 0.0 109.323 179.921 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 4.6 tt0 -47.28 -49.3 23.97 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.5 1.125 . . . . 0.0 110.28 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -48.51 -53.91 16.34 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.493 1.121 . . . . 0.0 109.285 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -51.13 -46.7 62.02 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.543 1.152 . . . . 0.0 110.326 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 133' ' ' ALA . . . . . 0.564 ' HB2' ' CZ ' ' A' ' 55' ' ' PHE . . . -51.92 -46.11 64.52 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.488 1.117 . . . . 0.0 109.308 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 12.8 mt . . . . . 0 C--N 1.326 -0.424 0 O-C-N 124.469 1.106 . . . . 0.0 109.313 -179.991 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 1.8 mm? . . . . . 0 N--CA 1.453 -0.3 0 N-CA-C 109.278 -0.638 . . . . 0.0 109.278 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 11.7 mttt -105.74 144.17 32.85 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.466 1.104 . . . . 0.0 109.308 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' THR . . . . . 0.486 ' CB ' ' O ' ' A' ' 91' ' ' VAL . 8.4 p -87.57 179.66 6.5 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.583 1.177 . . . . 0.0 110.33 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -68.17 -9.18 44.83 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.532 1.145 . . . . 0.0 109.359 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . 0.448 ' N ' ' OD1' ' A' ' 13' ' ' ASP . 0.0 OUTLIER -103.81 25.51 9.75 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.457 1.098 . . . . 0.0 109.283 -179.985 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 48.08 30.93 2.26 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.467 1.104 . . . . 0.0 109.299 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . 0.403 ' HD2' ' CG2' ' A' ' 19' ' ' VAL . 0.0 OUTLIER -105.27 156.67 35.86 Favored Pre-proline 0 C--N 1.326 -0.438 0 O-C-N 124.467 1.104 . . . . 0.0 110.255 -179.964 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . 0.47 ' O ' ' CG2' ' A' ' 19' ' ' VAL . 18.1 Cg_endo -74.98 130.32 13.18 Favored 'Trans proline' 0 C--N 1.361 1.205 0 O-C-N 124.432 1.754 . . . . 0.0 111.054 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -48.35 -32.1 7.02 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.446 1.091 . . . . 0.0 109.329 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 53.2 p -49.57 -23.92 1.88 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.564 1.165 . . . . 0.0 110.036 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . 0.47 ' CG2' ' O ' ' A' ' 16' ' ' PRO . 84.7 t -53.85 -31.84 21.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.527 1.142 . . . . 0.0 109.268 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 8.2 m-85 -133.64 23.22 3.98 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.568 1.168 . . . . 0.0 110.989 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -111.45 122.25 47.34 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.481 1.113 . . . . 0.0 109.398 179.902 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -113.45 99.51 7.82 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.524 1.14 . . . . 0.0 109.324 -179.935 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.27 55.68 0.15 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.548 1.155 . . . . 0.0 109.298 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 5.9 t70 177.07 34.8 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.602 1.189 . . . . 0.0 109.228 -179.915 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 1.3 mttt -169.2 167.9 5.32 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.475 1.109 . . . . 0.0 109.322 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 135.19 18.67 Favored 'Trans proline' 0 C--N 1.358 1.064 0 O-C-N 124.531 1.806 . . . . 0.0 111.0 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' THR . . . . . 0.418 ' OG1' ' ND2' ' A' ' 59' ' ' ASN . 88.4 m -116.45 127.48 54.63 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.429 1.081 . . . . 0.0 110.391 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 14.1 tp -109.09 129.5 55.47 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.507 1.129 . . . . 0.0 109.36 179.934 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 7.9 mt -108.82 148.4 12.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.472 1.107 . . . . 0.0 109.32 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.407 ' HG3' ' CE2' ' A' ' 111' ' ' TRP . 17.6 tttp -138.66 114.6 10.06 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.514 1.134 . . . . 0.0 109.284 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . 0.589 ' HB3' ' CE1' ' A' ' 108' ' ' TYR . 54.5 m-85 -84.79 131.69 34.51 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.517 1.136 . . . . 0.0 111.065 179.908 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' TRP . . . . . 0.572 ' CD1' ' HB ' ' A' ' 62' ' ' THR . 7.8 p-90 -137.73 167.46 21.66 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.499 1.124 . . . . 0.0 108.017 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -132.36 147.82 52.4 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.461 1.101 . . . . 0.0 109.313 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -72.23 -39.04 68.8 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.421 1.075 . . . . 0.0 109.98 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 22.0 p-90 -69.99 -14.97 62.95 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 107.942 -1.133 . . . . 0.0 107.942 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 42.4 t -86.95 114.28 57.53 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.438 1.087 . . . . 0.0 108.351 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 -47.42 0.2 Allowed 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.502 1.791 . . . . 0.0 111.013 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -53.95 -27.78 33.26 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.491 1.12 . . . . 0.0 109.271 179.937 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . 0.414 ' O ' ' N ' ' A' ' 43' ' ' LEU . 1.8 m -77.59 -54.38 6.47 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.375 1.047 . . . . 0.0 108.312 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 19.5 mt -51.23 -46.88 62.42 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.513 1.133 . . . . 0.0 109.361 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 9.0 p -62.75 -25.19 68.08 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.569 1.168 . . . . 0.0 110.038 179.917 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -87.38 -31.53 20.06 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.546 1.154 . . . . 0.0 110.354 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.523 HD12 ' CE2' ' A' ' 32' ' ' TRP . 0.2 OUTLIER -45.42 -51.72 11.04 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.529 1.143 . . . . 0.0 109.393 179.89 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -53.26 -49.84 54.66 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.477 1.11 . . . . 0.0 111.022 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . 0.404 ' HG3' ' CE2' ' A' ' 49' ' ' TRP . 5.1 tp60 -63.11 -32.87 74.35 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.48 0.753 . . . . 0.0 110.245 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 24.6 m -66.91 -34.16 77.17 Favored 'General case' 0 C--N 1.323 -0.562 0 O-C-N 124.551 1.157 . . . . 0.0 110.408 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . 0.469 ' CG ' ' HB2' ' A' ' 89' ' ' LEU . 31.6 tt0 -69.51 -31.88 70.39 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.484 1.115 . . . . 0.0 110.307 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . 0.422 ' O ' ' CG ' ' A' ' 51' ' ' GLN . 3.5 tttt -78.06 -36.33 48.48 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.434 1.084 . . . . 0.0 109.35 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' TRP . . . . . 0.543 ' CZ2' ' HB2' ' A' ' 130' ' ' GLU . 47.4 m0 -75.63 -27.89 58.59 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.48 1.113 . . . . 0.0 108.004 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -67.42 -12.59 60.61 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.549 1.156 . . . . 0.0 109.325 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . 0.422 ' CG ' ' O ' ' A' ' 48' ' ' LYS . 5.5 pt20 -113.63 -1.84 13.94 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.57 1.169 . . . . 0.0 110.285 -179.941 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -68.44 121.75 16.99 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.489 1.118 . . . . 0.0 109.322 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -47.87 -50.58 26.05 Favored 'General case' 0 C--N 1.323 -0.548 0 O-C-N 124.62 1.2 . . . . 0.0 109.286 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . 0.431 ' HB3' ' CD2' ' A' ' 134' ' ' LEU . 0.1 OUTLIER -48.72 -39.45 24.8 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.455 1.097 . . . . 0.0 109.401 179.914 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . 0.572 ' CE1' HD13 ' A' ' 60' ' ' LEU . 0.1 OUTLIER -77.2 -27.72 53.66 Favored 'General case' 0 C--N 1.327 -0.403 0 O-C-N 124.509 1.131 . . . . 0.0 111.043 179.934 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 8.0 t -46.09 -38.84 8.54 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.477 1.111 . . . . 0.0 110.023 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 5.2 t -40.09 -51.91 2.57 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.519 1.137 . . . . 0.0 109.925 -179.926 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -112.72 165.8 11.94 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.505 1.128 . . . . 0.0 109.292 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . 0.418 ' ND2' ' OG1' ' A' ' 27' ' ' THR . 1.3 m-20 -89.0 123.55 33.43 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.502 1.126 . . . . 0.0 109.286 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.572 HD13 ' CE1' ' A' ' 55' ' ' PHE . 2.4 tt -109.93 127.36 54.71 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.558 1.161 . . . . 0.0 109.262 -179.932 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . 0.42 ' CG2' ' O ' ' A' ' 60' ' ' LEU . 1.0 OUTLIER -153.5 162.22 2.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 O-C-N 124.45 1.094 . . . . 0.0 109.341 179.97 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' THR . . . . . 0.572 ' HB ' ' CD1' ' A' ' 32' ' ' TRP . 32.7 p -114.76 148.98 37.61 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.418 1.074 . . . . 0.0 110.414 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 2.2 t -122.95 145.06 30.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.525 1.141 . . . . 0.0 109.269 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -134.66 148.51 50.37 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.587 1.179 . . . . 0.0 109.295 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' SER . . . . . 0.438 ' CB ' ' HB3' ' A' ' 68' ' ' PHE . 38.5 m -123.52 108.77 31.11 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.492 1.12 . . . . 0.0 109.913 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 136.37 20.38 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.558 1.82 . . . . 0.0 110.997 179.899 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 72.22 2.49 53.89 Favored Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.511 1.132 . . . . 0.0 110.974 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . 0.438 ' HB3' ' CB ' ' A' ' 65' ' ' SER . 17.1 t80 -115.11 126.6 54.84 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.537 0.786 . . . . 0.0 111.054 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.654 ' CD2' ' CE2' ' A' ' 108' ' ' TYR . 1.2 mp 75.93 27.57 0.93 Allowed 'General case' 0 C--N 1.322 -0.594 0 O-C-N 124.533 1.146 . . . . 0.0 109.323 179.945 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER 64.89 23.05 12.58 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.535 1.147 . . . . 0.0 109.635 -179.916 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . 0.419 ' O ' ' C ' ' A' ' 72' ' ' LYS . 0.1 OUTLIER -86.78 144.5 27.03 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.409 1.068 . . . . 0.0 110.264 -179.939 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . 0.419 ' C ' ' O ' ' A' ' 71' ' ' GLU . 3.9 mmtp -38.8 142.7 0.19 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.522 1.138 . . . . 0.0 109.299 -179.943 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.26 165.86 23.39 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.507 1.13 . . . . 0.0 109.341 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 11.4 t70 -53.1 154.73 2.89 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.512 1.133 . . . . 0.0 109.264 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . 0.465 ' CA ' ' HG3' ' A' ' 78' ' ' GLN . . . 77.99 -52.09 3.59 Favored Glycine 0 CA--C 1.529 0.946 0 O-C-N 124.496 1.122 . . . . 0.0 111.011 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -63.64 -53.61 48.8 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.412 0.713 . . . . 0.0 109.335 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 40.5 t80 -57.42 -31.08 65.5 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.404 1.065 . . . . 0.0 110.953 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' GLN . . . . . 0.465 ' HG3' ' CA ' ' A' ' 75' ' ' GLY . 4.6 mt-30 -63.3 -39.73 95.37 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.553 1.158 . . . . 0.0 110.291 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.3 -41.06 81.47 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.494 1.122 . . . . 0.0 109.347 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 80' ' ' TRP . . . . . . . . . . . . . 2.7 t90 . . . . . 0 C--N 1.325 -0.497 0 O-C-N 124.547 1.154 . . . . 0.0 107.993 179.986 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 3.1 mmtt . . . . . 0 N--CA 1.452 -0.331 0 N-CA-C 109.275 -0.639 . . . . 0.0 109.275 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . 0.469 ' HB2' ' CG ' ' A' ' 47' ' ' GLU . 4.3 tp -112.54 129.79 24.04 Favored Pre-proline 0 C--N 1.324 -0.521 0 O-C-N 124.557 1.161 . . . . 0.0 109.384 179.945 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 127.73 10.95 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.488 1.783 . . . . 0.0 111.027 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . 0.486 ' O ' ' CB ' ' A' ' 11' ' ' THR . 53.9 t -145.83 117.63 2.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.44 1.088 . . . . 0.0 109.258 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 84.9 t -108.28 137.3 40.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 O-C-N 124.405 1.066 . . . . 0.0 109.372 179.902 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 12.4 p -120.41 119.52 33.28 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.474 1.109 . . . . 0.0 110.458 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 58.0 t0 -115.2 111.48 21.04 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.619 1.199 . . . . 0.0 109.269 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 23.2 t-20 -56.26 115.2 2.33 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.385 1.053 . . . . 0.0 109.39 179.9 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 86.58 -18.12 35.8 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.475 1.109 . . . . 0.0 111.054 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 65.98 66.09 2.57 Favored Glycine 0 CA--C 1.529 0.967 0 N-CA-C 110.963 -0.855 . . . . 0.0 110.963 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 98' ' ' THR . . . . . 0.426 ' O ' ' N ' ' A' ' 102' ' ' SER . 1.2 m -57.88 -49.11 77.81 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.383 0.696 . . . . 0.0 110.411 179.944 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 6.4 mt -65.6 -47.39 86.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.121 . . . . 0.0 109.302 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -59.31 -38.42 80.19 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.514 1.134 . . . . 0.0 109.259 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 26.6 mt-30 -77.77 -36.29 50.72 Favored 'General case' 0 C--N 1.323 -0.558 0 O-C-N 124.489 1.118 . . . . 0.0 110.247 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 102' ' ' SER . . . . . 0.426 ' N ' ' O ' ' A' ' 98' ' ' THR . 8.6 t -64.82 -30.93 71.95 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.494 1.121 . . . . 0.0 109.931 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 48.1 mt -97.23 5.1 50.62 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.575 1.172 . . . . 0.0 109.317 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 16.3 t-20 53.46 46.89 25.27 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.456 1.097 . . . . 0.0 109.256 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 105' ' ' ILE . . . . . 0.559 HD12 ' CE1' ' A' ' 31' ' ' PHE . 9.7 mt -93.86 112.53 26.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.526 1.141 . . . . 0.0 109.275 -179.947 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 11.8 p -133.69 33.28 3.5 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.467 1.104 . . . . 0.0 110.041 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 2.1 p -148.06 132.55 9.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.479 1.112 . . . . 0.0 109.32 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 108' ' ' TYR . . . . . 0.654 ' CE2' ' CD2' ' A' ' 69' ' ' LEU . 22.5 m-85 -130.34 152.92 81.05 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.499 1.124 . . . . 0.0 111.073 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 109' ' ' PRO . . . . . 0.512 ' C ' ' HA ' ' A' ' 108' ' ' TYR . 18.2 Cg_endo -75.07 161.41 94.86 Favored 'Cis proline' 0 C--N 1.36 1.144 0 C-N-CA 120.903 -2.541 . . . . 0.0 110.979 -0.0 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -136.55 163.72 29.87 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.547 1.154 . . . . 0.0 109.985 -179.931 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 111' ' ' TRP . . . . . 0.407 ' CE2' ' HG3' ' A' ' 30' ' ' LYS . 80.6 m95 -135.65 141.66 45.06 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.453 1.095 . . . . 0.0 108.121 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -132.15 138.63 48.11 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.558 1.161 . . . . 0.0 109.293 -179.907 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 20.8 tp -108.93 131.61 54.87 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.496 1.122 . . . . 0.0 109.306 179.905 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 114' ' ' ILE . . . . . 0.456 ' CD1' ' HA ' ' A' ' 120' ' ' VAL . 41.2 mm -121.57 125.79 73.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.575 1.172 . . . . 0.0 109.282 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -55.32 169.08 2.15 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.521 1.138 . . . . 0.0 110.963 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -68.83 -12.12 61.2 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.499 0.764 . . . . 0.0 109.286 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -88.63 -19.12 26.64 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.513 1.133 . . . . 0.0 109.237 -179.911 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . 99.73 23.83 10.53 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.432 1.083 . . . . 0.0 110.967 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -111.71 154.49 24.91 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.555 0.797 . . . . 0.0 109.24 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 120' ' ' VAL . . . . . 0.456 ' HA ' ' CD1' ' A' ' 114' ' ' ILE . 27.0 t -58.26 113.04 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.437 1.086 . . . . 0.0 109.334 179.863 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 4.0 tp-100 -88.39 -55.03 3.9 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.398 1.061 . . . . 0.0 110.272 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -154.24 158.43 40.24 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.517 1.136 . . . . 0.0 110.381 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 123' ' ' ILE . . . . . . . . . . . . . 3.5 tt -120.22 138.57 50.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.518 1.136 . . . . 0.0 109.365 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 57.1 t -130.96 138.42 53.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.508 1.13 . . . . 0.0 109.359 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 25.5 mttt -121.71 120.24 34.09 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.462 1.101 . . . . 0.0 109.374 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . 126.96 -168.95 18.97 Favored Glycine 0 CA--C 1.531 1.071 0 O-C-N 124.501 1.125 . . . . 0.0 110.922 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -110.03 154.71 22.81 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.481 0.754 . . . . 0.0 109.963 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 128' ' ' ILE . . . . . . . . . . . . . 9.9 pt -134.26 162.56 38.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.6 1.187 . . . . 0.0 109.29 179.915 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 129' ' ' ASN . . . . . . . . . . . . . 3.3 p-10 -102.3 172.64 6.77 Favored 'General case' 0 C--N 1.323 -0.547 0 O-C-N 124.585 1.178 . . . . 0.0 109.292 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 130' ' ' GLU . . . . . 0.543 ' HB2' ' CZ2' ' A' ' 49' ' ' TRP . 29.6 tt0 -54.91 -48.59 72.87 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.46 1.1 . . . . 0.0 110.274 -179.95 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -53.24 -51.2 62.96 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.507 1.13 . . . . 0.0 109.224 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 6.5 mt-30 -50.81 -44.72 59.14 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.463 1.102 . . . . 0.0 110.265 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 133' ' ' ALA . . . . . 0.436 ' HB1' ' CZ ' ' A' ' 55' ' ' PHE . . . -54.28 -38.82 66.29 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.566 1.166 . . . . 0.0 109.257 -179.941 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 134' ' ' LEU . . . . . 0.431 ' CD2' ' HB3' ' A' ' 54' ' ' LYS . 14.3 mt . . . . . 0 C--N 1.325 -0.477 0 O-C-N 124.482 1.114 . . . . 0.0 109.323 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . 0.413 ' CD1' ' HA ' ' A' ' 94' ' ' ASP . 3.6 mm? . . . . . 0 N--CA 1.454 -0.268 0 N-CA-C 109.174 -0.676 . . . . 0.0 109.174 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 6.4 mttt -137.94 149.09 45.88 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.537 1.148 . . . . 0.0 109.327 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 22.8 p -82.72 178.31 8.25 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.355 1.034 . . . . 0.0 110.429 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -68.0 -12.12 60.18 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.424 1.077 . . . . 0.0 109.322 179.941 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -94.7 16.4 15.79 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.434 1.083 . . . . 0.0 109.282 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 55.23 34.89 23.69 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.491 1.119 . . . . 0.0 109.252 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -111.76 152.73 44.35 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.52 1.137 . . . . 0.0 110.36 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 17.9 Cg_endo -74.93 133.79 17.14 Favored 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.548 1.815 . . . . 0.0 111.004 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -54.07 -26.95 29.57 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.444 1.09 . . . . 0.0 109.32 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 44.3 t -51.96 -31.92 31.12 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.52 1.137 . . . . 0.0 110.036 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 55.9 t -59.1 -29.81 42.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.515 1.135 . . . . 0.0 109.326 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 12.2 m-85 -118.38 22.76 11.94 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.485 1.116 . . . . 0.0 110.993 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -132.5 106.82 8.08 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.468 1.105 . . . . 0.0 109.329 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -104.69 115.41 30.27 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.566 1.167 . . . . 0.0 109.361 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.58 51.75 0.37 Allowed 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.523 1.139 . . . . 0.0 109.256 -179.952 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -168.44 28.01 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.556 1.16 . . . . 0.0 109.218 179.922 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.439 ' NZ ' ' OD1' ' A' ' 59' ' ' ASN . 7.4 ptmm? -169.3 161.61 7.59 Favored Pre-proline 0 C--N 1.324 -0.536 0 O-C-N 124.54 1.15 . . . . 0.0 109.37 179.946 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 144.74 30.6 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.419 1.747 . . . . 0.0 111.03 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 20.1 m -125.23 140.91 52.43 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.523 1.139 . . . . 0.0 110.44 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 5.3 tp -121.56 136.42 54.95 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.564 1.165 . . . . 0.0 109.309 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 1.3 mt -116.18 149.95 18.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.498 1.124 . . . . 0.0 109.292 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.571 ' HB2' ' CZ3' ' A' ' 111' ' ' TRP . 1.2 tttm -136.88 121.64 18.63 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.454 1.096 . . . . 0.0 109.304 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . 0.578 ' HB3' ' CE1' ' A' ' 108' ' ' TYR . 61.0 m-85 -94.05 125.83 38.91 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.558 1.161 . . . . 0.0 111.029 179.932 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' TRP . . . . . 0.497 ' CD1' ' HB ' ' A' ' 62' ' ' THR . 9.4 p-90 -131.19 165.75 22.65 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.551 1.157 . . . . 0.0 108.024 179.94 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . 0.476 ' CB ' ' CE2' ' A' ' 35' ' ' TRP . . . -132.24 145.64 51.46 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.504 1.127 . . . . 0.0 109.295 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' SER . . . . . 0.595 ' OG ' ' CE3' ' A' ' 80' ' ' TRP . 0.1 OUTLIER -70.29 -24.47 63.04 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.458 1.099 . . . . 0.0 109.955 179.946 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' TRP . . . . . 0.476 ' CE2' ' CB ' ' A' ' 33' ' ' ALA . 20.3 p-90 -81.49 -9.31 59.73 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 108.011 -1.107 . . . . 0.0 108.011 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 50.0 t -93.67 116.57 66.63 Favored Pre-proline 0 C--N 1.324 -0.528 0 O-C-N 124.509 1.131 . . . . 0.0 108.364 179.904 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.91 -48.4 0.18 Allowed 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.49 1.784 . . . . 0.0 111.067 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -52.29 -30.65 29.09 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.521 1.138 . . . . 0.0 109.387 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 2.3 m -77.79 -50.27 12.68 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.543 1.152 . . . . 0.0 108.321 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 8.7 mt -51.46 -46.92 63.23 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.573 1.171 . . . . 0.0 109.302 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 88.4 p -69.94 -25.24 63.56 Favored 'General case' 0 C--N 1.323 -0.554 0 O-C-N 124.539 1.149 . . . . 0.0 109.967 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -80.23 -24.15 40.4 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.531 1.145 . . . . 0.0 110.261 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 55.7 mt -44.32 -53.14 7.01 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.496 1.122 . . . . 0.0 109.355 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -56.09 -50.06 63.93 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.524 1.14 . . . . 0.0 110.95 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 1.3 tt0 -62.75 -31.29 72.2 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.469 0.747 . . . . 0.0 110.321 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' THR . . . . . 0.427 ' O ' ' CB ' ' A' ' 50' ' ' ALA . 29.3 m -67.46 -33.37 74.99 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.487 1.117 . . . . 0.0 110.423 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 26.6 tt0 -70.08 -40.23 75.13 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.44 1.087 . . . . 0.0 110.271 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 27.4 tttt -70.71 -35.52 72.78 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.556 1.16 . . . . 0.0 109.326 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' TRP . . . . . 0.612 ' O ' ' CD2' ' A' ' 55' ' ' PHE . 44.8 m0 -77.69 -42.49 34.36 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.574 1.172 . . . . 0.0 107.918 -179.925 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . 0.427 ' CB ' ' O ' ' A' ' 46' ' ' THR . . . -65.87 -14.36 61.34 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.489 1.118 . . . . 0.0 109.331 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 1.3 pp0? -113.95 6.21 16.47 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.564 1.165 . . . . 0.0 110.246 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . 0.427 ' OD2' ' CD1' ' A' ' 55' ' ' PHE . 18.5 t0 -67.04 142.5 57.16 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.54 1.15 . . . . 0.0 109.358 179.905 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -63.0 -51.94 64.91 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.535 1.147 . . . . 0.0 109.325 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . 0.459 ' HB3' ' CD2' ' A' ' 134' ' ' LEU . 27.4 mmtm -51.84 -32.77 33.25 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.522 1.139 . . . . 0.0 109.285 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . 0.612 ' CD2' ' O ' ' A' ' 49' ' ' TRP . 3.2 m-85 -77.08 -27.12 54.12 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.538 1.149 . . . . 0.0 110.957 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -45.01 -27.11 0.51 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.511 1.132 . . . . 0.0 109.967 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' SER . . . . . 0.403 ' N ' ' C ' ' A' ' 55' ' ' PHE . 49.8 m -52.45 -58.24 7.33 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 0.0 109.961 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . 0.417 ' O ' ' O ' ' A' ' 55' ' ' PHE . . . -110.59 166.62 10.86 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.557 1.16 . . . . 0.0 109.332 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . 0.439 ' OD1' ' NZ ' ' A' ' 25' ' ' LYS . 91.8 m-20 -88.1 135.33 33.48 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.585 1.178 . . . . 0.0 109.302 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.416 ' C ' ' CD2' ' A' ' 60' ' ' LEU . 3.8 tt -127.24 126.93 43.59 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.475 1.109 . . . . 0.0 109.267 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -150.81 160.79 3.92 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.518 1.136 . . . . 0.0 109.355 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' THR . . . . . 0.497 ' HB ' ' CD1' ' A' ' 32' ' ' TRP . 7.3 p -108.07 151.14 26.26 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.42 1.075 . . . . 0.0 110.339 -179.954 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 2.6 t -124.72 143.98 36.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.548 1.155 . . . . 0.0 109.267 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . 0.446 ' N ' ' O ' ' A' ' 92' ' ' VAL . . . -133.86 148.31 51.26 Favored 'General case' 0 C--N 1.327 -0.401 0 O-C-N 124.436 1.085 . . . . 0.0 109.334 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' SER . . . . . 0.47 ' CB ' ' HB3' ' A' ' 68' ' ' PHE . 10.9 m -120.27 108.28 38.24 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.432 1.082 . . . . 0.0 109.985 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 134.47 17.85 Favored 'Trans proline' 0 C--N 1.359 1.082 0 O-C-N 124.473 1.775 . . . . 0.0 110.998 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 67.46 14.72 64.96 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.518 1.136 . . . . 0.0 110.915 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . 0.538 ' CD2' ' HB2' ' A' ' 69' ' ' LEU . 65.7 t80 -124.22 145.97 49.02 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.526 0.78 . . . . 0.0 111.017 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.538 ' HB2' ' CD2' ' A' ' 68' ' ' PHE . 0.2 OUTLIER 54.34 47.2 23.49 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.503 1.127 . . . . 0.0 109.285 179.927 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 18.3 m-70 50.97 41.0 26.66 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.515 1.134 . . . . 0.0 109.624 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . 0.423 ' CB ' ' O ' ' A' ' 68' ' ' PHE . 14.5 tp10 -103.75 161.27 14.07 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.49 1.119 . . . . 0.0 110.327 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 6.9 mmtt -57.39 132.14 52.19 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.422 1.076 . . . . 0.0 109.314 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 47.4 mtmt -62.69 158.6 18.08 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.521 1.138 . . . . 0.0 109.262 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -49.2 157.92 0.41 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.536 1.148 . . . . 0.0 109.306 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 76.68 -53.33 3.26 Favored Glycine 0 CA--C 1.531 1.061 0 O-C-N 124.481 1.113 . . . . 0.0 110.975 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -61.24 -52.03 66.46 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.533 0.784 . . . . 0.0 109.315 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 35.1 t80 -59.62 -27.36 66.25 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.555 1.159 . . . . 0.0 110.874 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 5.6 mt-30 -70.78 -28.73 64.88 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.496 1.123 . . . . 0.0 110.253 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.42 -39.57 62.54 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.475 1.109 . . . . 0.0 109.346 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 80' ' ' TRP . . . . . 0.595 ' CE3' ' OG ' ' A' ' 34' ' ' SER . 3.7 t90 . . . . . 0 C--N 1.324 -0.523 0 N-CA-C 107.932 -1.136 . . . . 0.0 107.932 -179.855 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.288 0 N-CA-C 109.23 -0.656 . . . . 0.0 109.23 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . 0.422 ' CD2' ' CG2' ' A' ' 91' ' ' VAL . 0.0 OUTLIER -94.43 146.28 31.23 Favored Pre-proline 0 C--N 1.324 -0.521 0 O-C-N 124.529 1.143 . . . . 0.0 109.232 -179.925 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.96 127.82 11.02 Favored 'Trans proline' 0 C--N 1.361 1.21 0 O-C-N 124.469 1.773 . . . . 0.0 110.999 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . 0.422 ' CG2' ' CD2' ' A' ' 89' ' ' LEU . 37.1 t -139.13 118.64 13.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.54 1.15 . . . . 0.0 109.312 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . 0.446 ' O ' ' N ' ' A' ' 64' ' ' ALA . 80.5 t -107.97 143.22 18.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 O-C-N 124.514 1.134 . . . . 0.0 109.252 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 3.1 p -128.15 116.07 19.37 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.434 1.084 . . . . 0.0 110.413 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 94' ' ' ASP . . . . . 0.413 ' HA ' ' CD1' ' A' ' 9' ' ' LEU . 60.8 t0 -114.89 111.47 21.24 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.448 1.093 . . . . 0.0 109.29 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -57.91 112.3 1.45 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.521 1.138 . . . . 0.0 109.256 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 86.29 -16.3 44.78 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.499 1.124 . . . . 0.0 111.042 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 61.35 67.28 2.19 Favored Glycine 0 CA--C 1.53 1.002 0 N-CA-C 111.001 -0.84 . . . . 0.0 111.001 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 98' ' ' THR . . . . . 0.473 ' O ' ' CB ' ' A' ' 102' ' ' SER . 1.3 m -60.04 -30.3 69.09 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.515 0.773 . . . . 0.0 110.37 -179.952 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 3.3 mt -80.77 -36.14 15.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.431 1.082 . . . . 0.0 109.282 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -74.18 -38.48 63.64 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.497 1.123 . . . . 0.0 109.309 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 2.5 tt0 -77.38 -32.82 55.18 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.472 1.107 . . . . 0.0 110.288 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 102' ' ' SER . . . . . 0.473 ' CB ' ' O ' ' A' ' 98' ' ' THR . 29.0 t -72.68 -20.67 61.2 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.421 1.076 . . . . 0.0 109.99 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 80.6 mt -106.12 -7.48 17.93 Favored 'General case' 0 C--N 1.327 -0.411 0 O-C-N 124.413 1.071 . . . . 0.0 109.325 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 58.5 t30 65.7 55.99 0.95 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.5 1.125 . . . . 0.0 109.366 -179.919 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 105' ' ' ILE . . . . . 0.543 ' CD1' ' CZ ' ' A' ' 31' ' ' PHE . 79.1 mt -97.14 117.55 41.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.468 1.105 . . . . 0.0 109.285 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 5.2 p -142.1 30.9 1.59 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.481 1.113 . . . . 0.0 110.01 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 1.5 p -147.35 132.32 11.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.53 1.144 . . . . 0.0 109.271 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 108' ' ' TYR . . . . . 0.578 ' CE1' ' HB3' ' A' ' 31' ' ' PHE . 22.5 m-85 -131.42 152.62 80.82 Favored Pre-proline 0 C--N 1.326 -0.44 0 O-C-N 124.497 1.123 . . . . 0.0 111.039 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 109' ' ' PRO . . . . . 0.506 ' C ' ' HA ' ' A' ' 108' ' ' TYR . 18.3 Cg_endo -74.92 167.74 79.48 Favored 'Cis proline' 0 C--N 1.358 1.057 0 C-N-CA 121.047 -2.48 . . . . 0.0 111.043 -0.06 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -142.82 157.45 44.6 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.51 1.131 . . . . 0.0 110.031 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 111' ' ' TRP . . . . . 0.571 ' CZ3' ' HB2' ' A' ' 30' ' ' LYS . 93.4 m95 -132.49 140.3 48.3 Favored 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 107.947 -1.131 . . . . 0.0 107.947 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -124.51 138.25 54.35 Favored 'General case' 0 C--N 1.327 -0.398 0 O-C-N 124.525 1.141 . . . . 0.0 109.275 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 43.3 tp -109.02 134.25 51.92 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.397 1.061 . . . . 0.0 109.295 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 114' ' ' ILE . . . . . 0.463 ' CD1' ' HA ' ' A' ' 120' ' ' VAL . 45.4 mm -123.09 131.15 73.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.537 1.148 . . . . 0.0 109.238 -179.95 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -62.82 172.15 10.77 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.554 1.159 . . . . 0.0 111.04 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.97 -11.78 61.12 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.418 0.717 . . . . 0.0 109.255 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -88.69 -12.47 42.25 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.535 1.147 . . . . 0.0 109.181 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . 88.74 33.31 10.1 Favored Glycine 0 CA--C 1.531 1.075 0 O-C-N 124.552 1.157 . . . . 0.0 111.045 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -124.38 154.01 41.0 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.514 0.773 . . . . 0.0 109.36 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 120' ' ' VAL . . . . . 0.463 ' HA ' ' CD1' ' A' ' 114' ' ' ILE . 0.3 OUTLIER -54.28 117.96 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.473 1.108 . . . . 0.0 109.348 179.985 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 2.0 tt0 -97.45 -51.71 4.05 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.5 1.125 . . . . 0.0 110.293 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -156.71 140.98 16.55 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.488 1.117 . . . . 0.0 110.328 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 123' ' ' ILE . . . . . . . . . . . . . 20.6 tt -104.56 138.25 30.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.459 1.099 . . . . 0.0 109.322 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 57.8 t -126.93 138.76 53.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.425 1.078 . . . . 0.0 109.306 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -118.73 126.78 52.64 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.441 1.088 . . . . 0.0 109.31 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . 119.6 -138.96 13.68 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.51 1.131 . . . . 0.0 111.017 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -139.19 157.52 45.79 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.525 0.779 . . . . 0.0 110.04 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 128' ' ' ILE . . . . . . . . . . . . . 4.7 pt -129.04 167.0 25.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.584 1.177 . . . . 0.0 109.314 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 129' ' ' ASN . . . . . . . . . . . . . 1.2 p-10 -107.43 163.42 13.06 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.48 1.112 . . . . 0.0 109.188 -179.878 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 130' ' ' GLU . . . . . 0.402 ' HB2' ' CE2' ' A' ' 49' ' ' TRP . 23.4 tt0 -53.61 -34.91 60.11 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.505 1.128 . . . . 0.0 110.314 179.934 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -65.41 -49.04 70.74 Favored 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.417 1.073 . . . . 0.0 109.241 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 37.2 mt-30 -51.54 -43.75 62.43 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.536 1.148 . . . . 0.0 110.313 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 133' ' ' ALA . . . . . 0.572 ' HB1' ' CE1' ' A' ' 55' ' ' PHE . . . -57.88 -37.11 73.38 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.571 1.17 . . . . 0.0 109.341 179.941 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 134' ' ' LEU . . . . . 0.459 ' CD2' ' HB3' ' A' ' 54' ' ' LYS . 16.8 mt . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.471 1.107 . . . . 0.0 109.295 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 2.4 mm? . . . . . 0 N--CA 1.453 -0.276 0 N-CA-C 109.285 -0.635 . . . . 0.0 109.285 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 2.8 mtmm -118.78 158.18 26.11 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.433 1.083 . . . . 0.0 109.357 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 13.6 p -88.44 -177.61 5.66 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.512 1.132 . . . . 0.0 110.403 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -74.6 -4.42 37.0 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.39 1.056 . . . . 0.0 109.246 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -103.51 20.59 17.61 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.546 1.153 . . . . 0.0 109.348 179.87 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 55.72 31.53 17.65 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.497 1.123 . . . . 0.0 109.352 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 38.8 mtt180 -111.89 149.13 40.37 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.528 1.143 . . . . 0.0 110.267 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 132.36 15.33 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.479 1.778 . . . . 0.0 110.988 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -67.65 -16.44 64.16 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.487 1.117 . . . . 0.0 109.256 -179.938 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -60.56 -18.74 54.49 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.518 1.136 . . . . 0.0 109.972 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 71.8 t -74.96 -17.58 16.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.539 1.149 . . . . 0.0 109.301 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' TYR . . . . . 0.474 ' CZ ' ' HB3' ' A' ' 90' ' ' PRO . 27.2 m-85 -103.71 18.66 21.43 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.558 1.162 . . . . 0.0 111.13 179.877 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.447 ' O ' ' CB ' ' A' ' 22' ' ' LYS . 0.0 OUTLIER -145.98 120.36 9.64 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.61 1.194 . . . . 0.0 109.232 -179.917 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . 0.447 ' CB ' ' O ' ' A' ' 21' ' ' LEU . 1.5 mmtp 168.15 -173.49 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.516 1.135 . . . . 0.0 109.388 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . 0.402 ' O ' ' C ' ' A' ' 24' ' ' ASP . 0.1 OUTLIER 65.41 20.44 11.76 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.48 1.112 . . . . 0.0 109.319 179.994 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . 0.402 ' C ' ' O ' ' A' ' 23' ' ' LYS . 0.7 OUTLIER 40.42 39.2 0.66 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.476 1.11 . . . . 0.0 109.313 -179.964 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.409 ' HB2' ' HD2' ' A' ' 26' ' ' PRO . 0.0 OUTLIER -105.54 171.22 5.08 Favored Pre-proline 0 C--N 1.324 -0.539 0 O-C-N 124.508 1.13 . . . . 0.0 109.33 179.965 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . 0.409 ' HD2' ' HB2' ' A' ' 25' ' ' LYS . 18.1 Cg_endo -75.01 153.5 41.75 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.484 1.781 . . . . 0.0 111.006 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 52.5 m -130.15 140.78 50.73 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.487 1.117 . . . . 0.0 110.416 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.451 HD23 ' CZ3' ' A' ' 111' ' ' TRP . 9.6 tp -121.05 121.55 38.17 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.52 1.137 . . . . 0.0 109.242 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . 0.412 ' CG2' HG23 ' A' ' 63' ' ' VAL . 2.8 mt -109.78 147.78 13.9 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 O-C-N 124.43 1.081 . . . . 0.0 109.304 179.924 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.538 ' HB2' ' CE3' ' A' ' 111' ' ' TRP . 7.0 tttp -139.22 129.23 25.08 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.552 1.158 . . . . 0.0 109.28 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . 0.534 ' HB3' ' CE1' ' A' ' 108' ' ' TYR . 23.7 m-85 -101.16 146.13 27.9 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.452 1.095 . . . . 0.0 110.988 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' TRP . . . . . 0.611 ' CE3' ' SG ' ' A' ' 39' ' ' CYS . 0.3 OUTLIER -166.34 159.24 14.62 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.544 1.153 . . . . 0.0 108.019 179.985 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . 0.441 ' CB ' ' NE1' ' A' ' 35' ' ' TRP . . . -109.74 156.45 20.28 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.507 1.13 . . . . 0.0 109.333 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' SER . . . . . 0.565 ' HB3' ' CZ3' ' A' ' 80' ' ' TRP . 3.7 t -79.47 -19.49 49.66 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.602 1.189 . . . . 0.0 109.98 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' TRP . . . . . 0.441 ' NE1' ' CB ' ' A' ' 33' ' ' ALA . 22.1 p-90 -77.0 -16.64 59.26 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 108.025 -1.102 . . . . 0.0 108.025 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 51.1 t -75.19 133.11 75.43 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.518 1.136 . . . . 0.0 108.345 179.89 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 -44.31 0.35 Allowed 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.495 1.787 . . . . 0.0 111.051 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.41 ' O ' ' N ' ' A' ' 42' ' ' GLU . 0.2 OUTLIER -61.07 -33.23 73.0 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.573 1.17 . . . . 0.0 109.33 179.928 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . 0.611 ' SG ' ' CE3' ' A' ' 32' ' ' TRP . 7.2 t -64.2 -56.71 12.77 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.601 1.188 . . . . 0.0 108.304 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 29.1 mt -50.88 -44.39 59.79 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.53 1.144 . . . . 0.0 109.3 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 81.1 p -73.01 -24.99 60.81 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.427 1.079 . . . . 0.0 109.957 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . 0.41 ' N ' ' O ' ' A' ' 38' ' ' LEU . 5.1 mt-10 -82.14 -13.79 56.68 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.553 1.158 . . . . 0.0 110.22 -179.888 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 34.5 mt -44.15 -50.85 8.48 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.551 1.157 . . . . 0.0 109.313 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -67.24 -53.92 23.22 Favored Glycine 0 CA--C 1.529 0.931 0 O-C-N 124.579 1.174 . . . . 0.0 110.999 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 15.0 tt0 -51.61 -40.77 60.51 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.473 0.749 . . . . 0.0 110.317 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 60.0 m -67.64 -43.01 81.36 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.564 1.165 . . . . 0.0 110.482 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . 0.443 ' CG ' ' HB2' ' A' ' 89' ' ' LEU . 47.2 tt0 -71.43 -28.63 64.12 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.5 1.125 . . . . 0.0 110.291 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 5.7 tttt -77.79 -36.47 50.37 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.393 1.058 . . . . 0.0 109.307 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' TRP . . . . . . . . . . . . . 19.6 m0 -68.49 -41.6 79.84 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.507 1.129 . . . . 0.0 108.017 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -63.73 -13.12 40.64 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.483 1.114 . . . . 0.0 109.359 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 2.9 mm-40 -100.06 -17.83 17.28 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.473 1.108 . . . . 0.0 110.272 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . 0.6 ' OD1' ' CD1' ' A' ' 55' ' ' PHE . 6.4 t0 -59.11 123.38 16.44 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.496 1.122 . . . . 0.0 109.245 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -55.06 -50.03 70.14 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.519 1.137 . . . . 0.0 109.259 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 9.1 mtpp -49.06 -46.04 43.89 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.58 1.175 . . . . 0.0 109.296 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . 0.6 ' CD1' ' OD1' ' A' ' 52' ' ' ASP . 14.5 m-30 -76.88 -27.82 55.14 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.48 1.113 . . . . 0.0 110.977 -179.944 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' SER . . . . . 0.44 ' N ' ' O ' ' A' ' 52' ' ' ASP . 14.3 t -45.98 -39.95 9.71 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.47 1.106 . . . . 0.0 110.008 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' SER . . . . . 0.402 ' C ' ' O ' ' A' ' 56' ' ' SER . 71.2 m -38.8 -64.43 0.44 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.395 1.06 . . . . 0.0 109.98 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -88.29 166.05 14.58 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.525 1.141 . . . . 0.0 109.29 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . 0.405 ' OD1' ' N ' ' A' ' 59' ' ' ASN . 0.8 OUTLIER -88.58 122.21 31.79 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.563 1.164 . . . . 0.0 109.263 -179.97 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.422 ' C ' ' CD2' ' A' ' 60' ' ' LEU . 3.3 tt -112.96 129.58 56.43 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.495 1.122 . . . . 0.0 109.301 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . 0.42 ' CG2' ' O ' ' A' ' 60' ' ' LEU . 1.0 OUTLIER -153.4 163.0 2.0 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.622 1.201 . . . . 0.0 109.241 -179.954 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' THR . . . . . 0.454 ' HB ' ' NE1' ' A' ' 32' ' ' TRP . 6.2 p -112.78 158.86 19.59 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.489 1.118 . . . . 0.0 110.489 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . 0.412 HG23 ' CG2' ' A' ' 29' ' ' ILE . 45.4 t -123.35 138.59 52.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.495 1.122 . . . . 0.0 109.268 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -134.34 123.5 24.25 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.511 1.132 . . . . 0.0 109.204 -179.913 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' SER . . . . . 0.4 ' CB ' ' HB3' ' A' ' 68' ' ' PHE . 5.1 t -103.45 107.59 56.45 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.47 1.106 . . . . 0.0 110.055 179.947 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -75.01 136.99 21.1 Favored 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.476 1.777 . . . . 0.0 111.026 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 68.31 10.8 60.56 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.492 1.12 . . . . 0.0 110.981 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . 0.55 ' CE2' HD21 ' A' ' 69' ' ' LEU . 76.9 t80 -127.44 136.71 52.19 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.58 0.812 . . . . 0.0 111.056 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.55 HD21 ' CE2' ' A' ' 68' ' ' PHE . 0.2 OUTLIER 66.94 47.49 1.42 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.487 1.117 . . . . 0.0 109.294 179.994 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER 54.44 26.72 7.38 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.471 1.107 . . . . 0.0 109.555 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . 0.42 ' HG3' ' N ' ' A' ' 72' ' ' LYS . 26.6 tp10 -87.93 162.41 16.91 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.571 1.17 . . . . 0.0 110.316 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . 0.42 ' N ' ' HG3' ' A' ' 71' ' ' GLU . 0.4 OUTLIER -69.95 137.81 51.8 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.443 1.089 . . . . 0.0 109.267 179.972 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.06 156.74 20.61 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.559 1.162 . . . . 0.0 109.324 179.89 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' ASP . . . . . 0.406 ' HD2' ' N ' ' A' ' 75' ' ' GLY . 0.4 OUTLIER -50.45 162.09 0.26 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.479 1.112 . . . . 0.0 109.269 179.945 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . 0.406 ' N ' ' HD2' ' A' ' 74' ' ' ASP . . . 78.84 -51.66 3.82 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.531 1.144 . . . . 0.0 111.023 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -68.91 -50.93 45.26 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.519 0.776 . . . . 0.0 109.267 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' PHE . . . . . 0.431 ' CE2' ' HB2' ' A' ' 34' ' ' SER . 12.0 t80 -58.18 -26.44 62.76 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.495 1.122 . . . . 0.0 110.97 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 7.9 mt-30 -70.11 -43.66 70.58 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.523 1.139 . . . . 0.0 110.231 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.57 -26.98 62.84 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.497 1.123 . . . . 0.0 109.299 -179.934 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 80' ' ' TRP . . . . . 0.565 ' CZ3' ' HB3' ' A' ' 34' ' ' SER . 7.5 t90 . . . . . 0 C--N 1.325 -0.493 0 O-C-N 124.506 1.129 . . . . 0.0 107.99 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.251 0 N-CA-C 109.258 -0.645 . . . . 0.0 109.258 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . 0.443 ' HB2' ' CG ' ' A' ' 47' ' ' GLU . 1.3 tp -95.15 132.84 27.16 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.573 1.17 . . . . 0.0 109.333 179.936 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 90' ' ' PRO . . . . . 0.474 ' HB3' ' CZ ' ' A' ' 20' ' ' TYR . 18.2 Cg_endo -75.1 128.86 11.73 Favored 'Trans proline' 0 C--N 1.361 1.205 0 O-C-N 124.484 1.781 . . . . 0.0 110.997 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 98.4 t -150.45 119.4 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.537 1.148 . . . . 0.0 109.335 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 52.4 t -105.97 129.33 59.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.511 1.132 . . . . 0.0 109.361 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 1.7 p -108.97 112.14 24.18 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.49 1.119 . . . . 0.0 110.425 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 62.6 t0 -114.69 110.76 20.24 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.532 1.145 . . . . 0.0 109.318 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 38.8 t-20 -59.0 116.25 3.68 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.543 1.152 . . . . 0.0 109.308 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 87.91 -21.16 24.82 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.461 1.101 . . . . 0.0 110.99 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 66.87 68.04 1.79 Allowed Glycine 0 CA--C 1.531 1.032 0 N-CA-C 111.027 -0.829 . . . . 0.0 111.027 179.909 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 98' ' ' THR . . . . . 0.501 ' O ' ' CB ' ' A' ' 102' ' ' SER . 1.5 m -61.45 -32.71 72.7 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.604 0.826 . . . . 0.0 110.437 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 2.9 mt -78.54 -35.75 19.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 O-C-N 124.45 1.094 . . . . 0.0 109.318 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -70.39 -51.95 26.0 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.532 1.145 . . . . 0.0 109.309 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 11.0 pt20 -68.23 -28.31 67.12 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.437 1.085 . . . . 0.0 110.267 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 102' ' ' SER . . . . . 0.501 ' CB ' ' O ' ' A' ' 98' ' ' THR . 2.1 t -60.8 -39.61 89.56 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.503 1.127 . . . . 0.0 109.998 179.919 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . 0.468 ' CB ' ' CD1' ' A' ' 105' ' ' ILE . 11.1 mt -101.48 6.52 42.42 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.527 1.142 . . . . 0.0 109.299 -179.919 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 24.5 t-20 59.86 58.51 2.76 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.449 1.093 . . . . 0.0 109.338 -179.928 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 105' ' ' ILE . . . . . 0.468 ' CD1' ' CB ' ' A' ' 103' ' ' LEU . 1.7 mp -89.45 114.52 27.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.531 1.144 . . . . 0.0 109.273 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 51.8 p -138.86 25.29 2.55 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.488 1.117 . . . . 0.0 109.915 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 1.4 p -146.16 132.66 14.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 O-C-N 124.589 1.18 . . . . 0.0 109.314 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 108' ' ' TYR . . . . . 0.534 ' CE1' ' HB3' ' A' ' 31' ' ' PHE . 13.8 m-30 -129.2 153.11 80.38 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.409 1.068 . . . . 0.0 111.02 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 109' ' ' PRO . . . . . 0.513 ' C ' ' HA ' ' A' ' 108' ' ' TYR . 18.1 Cg_endo -75.02 170.01 73.01 Favored 'Cis proline' 0 C--N 1.36 1.169 0 C-N-CA 120.948 -2.522 . . . . 0.0 110.957 0.004 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -136.84 162.7 32.5 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.507 1.13 . . . . 0.0 110.051 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 111' ' ' TRP . . . . . 0.538 ' CE3' ' HB2' ' A' ' 30' ' ' LYS . 78.4 m95 -142.5 142.77 32.31 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.537 1.148 . . . . 0.0 107.903 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -135.94 135.22 39.45 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.492 1.12 . . . . 0.0 109.313 179.923 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 34.8 tp -108.5 133.41 52.69 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.459 1.1 . . . . 0.0 109.369 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 114' ' ' ILE . . . . . 0.461 ' CG2' ' HA2' ' A' ' 118' ' ' GLY . 22.2 mm -120.22 115.44 47.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 O-C-N 124.518 1.136 . . . . 0.0 109.315 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -44.88 170.52 0.01 OUTLIER Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.531 1.144 . . . . 0.0 110.98 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 1.7 ptmt -70.18 -11.14 60.69 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.422 0.719 . . . . 0.0 109.331 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -90.73 -24.27 20.45 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.511 1.132 . . . . 0.0 109.34 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 118' ' ' GLY . . . . . 0.461 ' HA2' ' CG2' ' A' ' 114' ' ' ILE . . . 104.54 20.51 10.09 Favored Glycine 0 CA--C 1.532 1.094 0 O-C-N 124.408 1.068 . . . . 0.0 110.944 179.923 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 2.3 p-10 -108.11 149.24 28.74 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.596 0.821 . . . . 0.0 109.315 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 73.9 t -54.14 111.5 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.53 1.144 . . . . 0.0 109.345 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 1.2 tp-100 -89.35 -55.04 3.82 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.483 1.114 . . . . 0.0 110.225 -179.908 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 1.8 ttm180 -154.29 153.53 31.84 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.486 1.117 . . . . 0.0 110.255 -179.936 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 123' ' ' ILE . . . . . . . . . . . . . 11.8 tt -122.62 134.78 64.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.425 1.078 . . . . 0.0 109.275 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 53.9 t -125.81 135.87 62.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.523 1.14 . . . . 0.0 109.295 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -118.58 117.63 29.51 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.493 1.121 . . . . 0.0 109.314 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . 129.92 -147.6 18.11 Favored Glycine 0 CA--C 1.529 0.921 0 O-C-N 124.495 1.122 . . . . 0.0 110.987 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 1.2 m -124.23 141.51 52.0 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.465 0.744 . . . . 0.0 110.011 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 128' ' ' ILE . . . . . . . . . . . . . 14.5 pt -116.41 165.48 11.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.477 1.111 . . . . 0.0 109.337 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 129' ' ' ASN . . . . . . . . . . . . . 2.3 p-10 -106.97 171.02 7.6 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.462 1.101 . . . . 0.0 109.286 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -59.58 -34.39 72.65 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.421 1.076 . . . . 0.0 110.351 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -64.27 -51.75 62.0 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.435 1.084 . . . . 0.0 109.277 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 38.3 mt-30 -50.86 -45.98 60.06 Favored 'General case' 0 C--N 1.327 -0.397 0 O-C-N 124.501 1.125 . . . . 0.0 110.264 -179.885 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -52.35 -50.05 63.11 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.455 1.097 . . . . 0.0 109.296 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 19.1 mt . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.576 1.172 . . . . 0.0 109.312 -179.952 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . 0.542 ' CD2' ' N ' ' A' ' 9' ' ' LEU . 0.5 OUTLIER . . . . . 0 N--CA 1.454 -0.254 0 N-CA-C 109.286 -0.635 . . . . 0.0 109.286 . . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 3.9 mmtp -90.72 147.9 22.94 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.465 1.103 . . . . 0.0 109.297 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 16.0 p -82.87 170.77 14.62 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.466 1.104 . . . . 0.0 110.406 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -62.65 -15.42 51.92 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.559 1.162 . . . . 0.0 109.309 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -87.8 10.46 18.37 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.382 1.051 . . . . 0.0 109.281 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 60.32 37.02 20.5 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.471 1.107 . . . . 0.0 109.33 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 3.7 mtm-85 -116.08 149.44 43.41 Favored Pre-proline 0 C--N 1.324 -0.543 0 O-C-N 124.573 1.171 . . . . 0.0 110.325 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 133.82 17.12 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.439 1.757 . . . . 0.0 111.038 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -53.8 -29.3 39.89 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.498 1.124 . . . . 0.0 109.318 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 1.8 t -51.21 -32.61 24.43 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.546 1.154 . . . . 0.0 110.035 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 85.7 t -54.23 -34.79 28.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.47 1.106 . . . . 0.0 109.263 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 27.5 m-85 -117.19 20.01 13.91 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.541 1.151 . . . . 0.0 110.979 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -113.51 121.58 44.69 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.479 1.112 . . . . 0.0 109.263 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 2.9 mmtt -117.28 129.74 56.1 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.478 1.111 . . . . 0.0 109.267 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.96 17.79 2.28 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.514 1.134 . . . . 0.0 109.284 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 2.2 p30 -144.45 18.18 1.69 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.529 1.143 . . . . 0.0 109.297 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.422 ' NZ ' ' O ' ' A' ' 57' ' ' SER . 2.1 mmtp -146.66 154.45 48.16 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.498 1.124 . . . . 0.0 109.335 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.94 145.85 32.18 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.498 1.788 . . . . 0.0 111.044 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 84.9 m -122.7 122.24 38.29 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.491 1.119 . . . . 0.0 110.427 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 2.8 tp -106.98 131.45 54.03 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.482 1.114 . . . . 0.0 109.275 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . 0.462 HG23 ' CG2' ' A' ' 63' ' ' VAL . 2.2 mt -115.29 147.28 18.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.535 1.147 . . . . 0.0 109.31 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.503 ' HD2' ' CE2' ' A' ' 111' ' ' TRP . 14.4 tttt -138.02 114.93 10.75 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.518 1.136 . . . . 0.0 109.37 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . 0.574 ' HB3' ' CE1' ' A' ' 108' ' ' TYR . 51.0 m-85 -86.76 123.18 31.63 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.491 1.119 . . . . 0.0 111.074 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' TRP . . . . . 0.566 ' CZ3' ' CD1' ' A' ' 43' ' ' LEU . 3.3 p-90 -123.17 168.62 12.17 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.512 1.132 . . . . 0.0 108.01 -179.94 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . 0.596 ' CB ' ' CE2' ' A' ' 35' ' ' TRP . . . -133.5 124.01 26.22 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.466 1.104 . . . . 0.0 109.299 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' SER . . . . . 0.606 ' OG ' ' CE3' ' A' ' 80' ' ' TRP . 0.3 OUTLIER -56.45 -21.28 24.45 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.417 1.073 . . . . 0.0 109.986 179.997 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' TRP . . . . . 0.596 ' CE2' ' CB ' ' A' ' 33' ' ' ALA . 16.2 p-90 -85.61 -21.19 28.58 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 107.988 -1.115 . . . . 0.0 107.988 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . 0.401 ' N ' ' O ' ' A' ' 33' ' ' ALA . 44.9 t -81.63 114.42 49.82 Favored Pre-proline 0 C--N 1.324 -0.514 0 O-C-N 124.551 1.157 . . . . 0.0 108.273 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.04 -41.62 0.62 Allowed 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.501 1.79 . . . . 0.0 111.027 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 1.8 tm? -59.27 -28.22 66.53 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.554 1.159 . . . . 0.0 109.302 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . 0.404 ' O ' ' N ' ' A' ' 43' ' ' LEU . 19.2 m -77.11 -53.04 8.27 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.576 1.173 . . . . 0.0 108.358 179.929 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.565 HD11 ' CH2' ' A' ' 80' ' ' TRP . 4.8 mt -51.38 -43.1 61.79 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.502 1.127 . . . . 0.0 109.266 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 5.3 p -69.27 -25.72 64.4 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.479 1.112 . . . . 0.0 109.997 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . 0.4 ' HG2' ' NZ ' ' A' ' 30' ' ' LYS . 1.8 tp10 -86.22 -20.81 27.96 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.521 1.138 . . . . 0.0 110.343 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.566 ' CD1' ' CZ3' ' A' ' 32' ' ' TRP . 60.2 mt -51.95 -54.82 25.11 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.544 1.153 . . . . 0.0 109.292 -179.929 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -48.88 -49.97 27.69 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.595 1.184 . . . . 0.0 110.982 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -57.28 -35.78 70.2 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.511 0.771 . . . . 0.0 110.348 179.917 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 86.7 m -70.16 -39.44 75.32 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.476 1.11 . . . . 0.0 110.425 179.934 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . 0.426 ' OE2' ' N ' ' A' ' 89' ' ' LEU . 4.4 tt0 -53.81 -42.18 68.11 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.506 1.128 . . . . 0.0 110.326 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -71.88 -36.63 70.12 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.567 1.167 . . . . 0.0 109.286 179.915 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' TRP . . . . . . . . . . . . . 39.2 m0 -64.49 -34.71 78.84 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 107.998 -1.112 . . . . 0.0 107.998 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -70.14 -8.74 52.12 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.555 1.159 . . . . 0.0 109.32 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 59.4 mt-30 -111.57 -12.2 13.96 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.449 1.093 . . . . 0.0 110.322 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . 0.453 ' HB3' ' CD2' ' A' ' 55' ' ' PHE . 34.5 t0 -63.2 120.55 11.72 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.502 1.126 . . . . 0.0 109.262 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -56.05 -43.49 77.95 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.405 1.066 . . . . 0.0 109.285 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.99 -46.64 71.79 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.527 1.142 . . . . 0.0 109.351 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . 0.453 ' CD2' ' HB3' ' A' ' 52' ' ' ASP . 16.1 m-30 -77.64 -28.97 51.49 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.518 1.136 . . . . 0.0 111.002 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' SER . . . . . 0.433 ' O ' ' N ' ' A' ' 58' ' ' ALA . 69.1 m -46.73 -40.4 13.34 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.449 1.093 . . . . 0.0 109.945 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' SER . . . . . 0.422 ' O ' ' NZ ' ' A' ' 25' ' ' LYS . 13.7 t -39.39 -29.69 0.05 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.568 1.167 . . . . 0.0 110.04 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . 0.433 ' N ' ' O ' ' A' ' 56' ' ' SER . . . -123.92 166.16 16.15 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.555 1.159 . . . . 0.0 109.304 -179.95 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 28.6 m-20 -88.36 128.64 35.51 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.421 1.075 . . . . 0.0 109.322 179.925 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.48 ' C ' ' CD2' ' A' ' 60' ' ' LEU . 3.0 tt -120.84 125.06 46.56 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.558 1.161 . . . . 0.0 109.301 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . 0.471 ' CG2' ' O ' ' A' ' 60' ' ' LEU . 2.9 pt -154.92 162.42 1.86 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.468 1.105 . . . . 0.0 109.348 179.89 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' THR . . . . . 0.536 ' HB ' ' CD1' ' A' ' 32' ' ' TRP . 35.1 p -111.07 155.12 23.27 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.514 1.134 . . . . 0.0 110.356 -179.865 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . 0.462 ' CG2' HG23 ' A' ' 29' ' ' ILE . 2.2 t -121.53 143.71 33.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.572 1.17 . . . . 0.0 109.236 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . 0.613 ' CB ' ' CZ ' ' A' ' 77' ' ' PHE . . . -134.68 137.3 43.45 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.591 1.182 . . . . 0.0 109.265 179.949 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' SER . . . . . 0.463 ' CB ' ' HB3' ' A' ' 68' ' ' PHE . 1.5 m -111.97 108.12 55.67 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.419 1.074 . . . . 0.0 110.013 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . 0.411 ' HD2' ' O ' ' A' ' 94' ' ' ASP . 18.3 Cg_endo -74.9 134.7 18.31 Favored 'Trans proline' 0 C--N 1.361 1.214 0 O-C-N 124.478 1.778 . . . . 0.0 111.047 179.942 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 66.55 8.15 44.58 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.585 1.178 . . . . 0.0 111.04 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . 0.49 ' CE2' HD21 ' A' ' 69' ' ' LEU . 75.1 t80 -126.01 130.32 50.96 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.472 0.748 . . . . 0.0 111.08 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.49 HD21 ' CE2' ' A' ' 68' ' ' PHE . 0.3 OUTLIER 76.79 23.84 0.99 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.53 1.144 . . . . 0.0 109.346 -179.907 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 31.6 m170 66.78 22.39 10.3 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.424 1.077 . . . . 0.0 109.588 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . 0.42 ' OE2' ' CD1' ' A' ' 35' ' ' TRP . 0.3 OUTLIER -86.13 149.7 24.94 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.548 1.155 . . . . 0.0 110.27 179.981 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . 0.414 ' C ' ' O ' ' A' ' 71' ' ' GLU . 3.6 mmtt -38.89 154.72 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.501 1.126 . . . . 0.0 109.268 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -84.58 156.79 21.45 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.437 1.086 . . . . 0.0 109.363 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -49.11 143.98 5.38 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.529 1.143 . . . . 0.0 109.228 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 80.87 -50.7 4.18 Favored Glycine 0 CA--C 1.531 1.055 0 O-C-N 124.419 1.074 . . . . 0.0 111.031 179.924 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -69.24 -31.52 70.14 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.554 0.797 . . . . 0.0 109.212 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' PHE . . . . . 0.613 ' CZ ' ' CB ' ' A' ' 64' ' ' ALA . 17.4 t80 -77.52 -57.09 4.01 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.518 1.136 . . . . 0.0 111.051 179.926 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 18.2 pt20 -52.39 -25.97 11.26 Favored 'General case' 0 C--N 1.327 -0.404 0 O-C-N 124.564 1.165 . . . . 0.0 110.325 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 1.2 mttt -64.97 -47.72 76.59 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.428 1.08 . . . . 0.0 109.307 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 80' ' ' TRP . . . . . 0.606 ' CE3' ' OG ' ' A' ' 34' ' ' SER . 3.5 t90 . . . . . 0 C--N 1.325 -0.47 0 N-CA-C 107.997 -1.112 . . . . 0.0 107.997 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 28.5 mmtt . . . . . 0 N--CA 1.453 -0.293 0 N-CA-C 109.344 -0.613 . . . . 0.0 109.344 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . 0.426 ' N ' ' OE2' ' A' ' 47' ' ' GLU . 0.4 OUTLIER -76.72 119.64 78.27 Favored Pre-proline 0 C--N 1.324 -0.522 0 O-C-N 124.501 1.126 . . . . 0.0 109.303 -180.0 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 18.7 Cg_endo -75.0 128.55 11.57 Favored 'Trans proline' 0 C--N 1.359 1.109 0 O-C-N 124.541 1.811 . . . . 0.0 111.012 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 55.5 t -143.93 126.94 12.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.528 1.142 . . . . 0.0 109.285 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . 0.468 ' O ' ' N ' ' A' ' 64' ' ' ALA . 78.0 t -115.78 140.97 35.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.561 1.163 . . . . 0.0 109.304 179.917 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 3.1 p -120.45 115.87 24.34 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.437 1.086 . . . . 0.0 110.336 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 94' ' ' ASP . . . . . 0.445 ' HB2' ' CD1' ' A' ' 9' ' ' LEU . 68.1 t0 -114.66 110.33 19.59 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.444 1.09 . . . . 0.0 109.349 179.887 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 14.5 t-20 -59.57 112.49 1.81 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.577 1.173 . . . . 0.0 109.236 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 88.65 -29.17 5.92 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.477 1.111 . . . . 0.0 110.977 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 76.37 71.41 1.18 Allowed Glycine 0 CA--C 1.529 0.934 0 N-CA-C 111.006 -0.838 . . . . 0.0 111.006 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 2.0 m -57.76 -40.16 79.11 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.48 0.753 . . . . 0.0 110.453 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 3.8 mt -81.42 -38.28 16.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.497 1.123 . . . . 0.0 109.297 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -63.57 -44.98 92.49 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.578 1.174 . . . . 0.0 109.319 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 7.6 pt20 -73.89 -35.63 64.71 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.483 1.114 . . . . 0.0 110.356 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 1.1 m -61.35 -34.54 75.46 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.467 1.104 . . . . 0.0 109.93 -179.899 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 73.2 mt -99.96 12.33 37.08 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.471 1.107 . . . . 0.0 109.298 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 14.8 t-20 46.84 52.9 10.97 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.424 1.078 . . . . 0.0 109.307 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 105' ' ' ILE . . . . . 0.522 ' CD1' ' CZ ' ' A' ' 31' ' ' PHE . 64.5 mt -88.62 129.44 39.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 O-C-N 124.582 1.176 . . . . 0.0 109.302 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 24.5 p -157.19 33.3 0.29 Allowed 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.494 1.122 . . . . 0.0 109.969 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 2.5 p -148.14 132.66 9.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.485 1.115 . . . . 0.0 109.257 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 108' ' ' TYR . . . . . 0.574 ' CE1' ' HB3' ' A' ' 31' ' ' PHE . 21.4 m-85 -130.88 152.46 80.65 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.513 1.133 . . . . 0.0 111.047 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 109' ' ' PRO . . . . . 0.513 ' C ' ' HA ' ' A' ' 108' ' ' TYR . 18.3 Cg_endo -75.12 159.2 98.23 Favored 'Cis proline' 0 C--N 1.36 1.14 0 C-N-CA 120.928 -2.53 . . . . 0.0 111.015 0.105 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -134.17 157.57 45.89 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.434 1.084 . . . . 0.0 109.966 -179.887 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 111' ' ' TRP . . . . . 0.503 ' CE2' ' HD2' ' A' ' 30' ' ' LYS . 67.0 m95 -131.18 141.04 50.02 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 107.976 -1.12 . . . . 0.0 107.976 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -130.14 131.7 45.78 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.487 1.117 . . . . 0.0 109.263 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 113' ' ' LEU . . . . . 0.407 ' CD2' ' HB3' ' A' ' 121' ' ' GLN . 11.3 tp -108.43 132.92 53.29 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.463 1.102 . . . . 0.0 109.312 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 114' ' ' ILE . . . . . 0.455 ' CD1' ' HA ' ' A' ' 120' ' ' VAL . 43.8 mm -121.05 111.54 32.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.454 1.096 . . . . 0.0 109.325 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 115' ' ' GLY . . . . . 0.44 ' CA ' ' HG3' ' A' ' 121' ' ' GLN . . . -41.66 164.38 0.02 OUTLIER Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.567 1.167 . . . . 0.0 111.073 179.936 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.98 -12.2 47.44 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.53 0.782 . . . . 0.0 109.247 -179.932 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -81.64 -23.97 36.63 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.5 1.125 . . . . 0.0 109.298 -179.95 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . 99.29 34.95 4.9 Favored Glycine 0 CA--C 1.529 0.938 0 O-C-N 124.558 1.161 . . . . 0.0 111.013 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 1.6 p-10 -131.27 158.49 40.47 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.46 0.741 . . . . 0.0 109.3 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 120' ' ' VAL . . . . . 0.455 ' HA ' ' CD1' ' A' ' 114' ' ' ILE . 90.9 t -57.99 120.07 3.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.468 1.105 . . . . 0.0 109.287 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 121' ' ' GLN . . . . . 0.44 ' HG3' ' CA ' ' A' ' 115' ' ' GLY . 0.0 OUTLIER -100.58 -59.88 1.62 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.497 1.123 . . . . 0.0 110.284 -179.973 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -150.53 138.71 20.25 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.523 1.139 . . . . 0.0 110.392 179.926 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 123' ' ' ILE . . . . . . . . . . . . . 16.5 tt -111.64 127.66 68.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.55 1.156 . . . . 0.0 109.314 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 74.8 t -113.33 137.39 46.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.457 1.098 . . . . 0.0 109.267 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 12.5 pttt -105.97 134.74 48.61 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.505 1.128 . . . . 0.0 109.311 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . 104.5 -147.71 16.51 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.509 1.13 . . . . 0.0 110.988 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -123.15 155.93 36.04 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.444 0.732 . . . . 0.0 109.942 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 128' ' ' ILE . . . . . . . . . . . . . 15.1 pt -126.84 166.62 23.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 O-C-N 124.48 1.112 . . . . 0.0 109.284 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 129' ' ' ASN . . . . . . . . . . . . . 3.3 p30 -108.58 169.32 8.72 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.488 1.117 . . . . 0.0 109.323 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -51.17 -45.73 61.85 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.469 1.105 . . . . 0.0 110.375 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -50.79 -53.99 27.28 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.463 1.102 . . . . 0.0 109.306 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 8.2 mt-30 -50.93 -48.44 60.75 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.507 1.13 . . . . 0.0 110.259 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -49.8 -46.79 51.26 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.599 1.187 . . . . 0.0 109.299 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 42.8 mt . . . . . 0 C--N 1.324 -0.507 0 O-C-N 124.48 1.113 . . . . 0.0 109.292 179.989 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . 0.49 ' O ' ' CB ' ' A' ' 17' ' ' ALA . 4.6 mm? . . . . . 0 N--CA 1.454 -0.255 0 N-CA-C 109.294 -0.632 . . . . 0.0 109.294 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 2.1 mttp -81.46 145.32 30.81 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.517 1.136 . . . . 0.0 109.377 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 25.4 p -79.18 170.98 15.84 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.482 1.114 . . . . 0.0 110.455 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -63.45 -12.28 30.21 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.516 1.135 . . . . 0.0 109.361 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . 0.439 ' OD1' ' N ' ' A' ' 13' ' ' ASP . 0.0 OUTLIER -98.64 26.34 5.68 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.544 1.153 . . . . 0.0 109.297 179.996 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 49.32 35.5 7.87 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.557 1.16 . . . . 0.0 109.238 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -109.73 147.82 36.92 Favored Pre-proline 0 C--N 1.324 -0.517 0 O-C-N 124.542 1.151 . . . . 0.0 110.277 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 130.88 13.67 Favored 'Trans proline' 0 C--N 1.361 1.205 0 O-C-N 124.514 1.797 . . . . 0.0 111.007 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . 0.49 ' CB ' ' O ' ' A' ' 9' ' ' LEU . . . -57.84 -30.91 66.15 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.505 1.128 . . . . 0.0 109.358 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 8.6 t -49.63 -31.49 10.93 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.479 1.112 . . . . 0.0 109.939 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 94.0 t -57.74 -27.42 30.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.455 1.097 . . . . 0.0 109.355 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 13.1 m-85 -103.94 22.17 15.06 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.485 1.116 . . . . 0.0 110.994 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 2.4 mp -146.37 102.87 3.64 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.5 1.125 . . . . 0.0 109.332 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 9.3 ptmt -176.29 177.86 1.45 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.493 1.121 . . . . 0.0 109.285 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 69.23 24.63 5.92 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.506 1.129 . . . . 0.0 109.23 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 61.0 m-20 47.05 36.24 4.04 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.591 1.182 . . . . 0.0 109.304 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.412 ' HD2' ' CD ' ' A' ' 26' ' ' PRO . 7.2 mmtm -100.35 159.26 30.21 Favored Pre-proline 0 C--N 1.323 -0.556 0 O-C-N 124.522 1.139 . . . . 0.0 109.336 -179.911 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . 0.412 ' CD ' ' HD2' ' A' ' 25' ' ' LYS . 18.2 Cg_endo -74.94 154.34 42.75 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.54 1.81 . . . . 0.0 110.968 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 91.4 m -128.56 135.18 49.02 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.486 1.116 . . . . 0.0 110.44 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 4.9 tp -113.73 134.94 54.45 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.447 1.092 . . . . 0.0 109.336 179.906 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 5.6 mm -115.14 146.74 19.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.517 1.136 . . . . 0.0 109.342 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.573 ' HB2' ' CE3' ' A' ' 111' ' ' TRP . 24.5 tttt -138.8 122.08 17.05 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.501 1.125 . . . . 0.0 109.328 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . 0.684 ' CZ ' ' CD1' ' A' ' 105' ' ' ILE . 49.0 m-85 -93.86 131.38 39.32 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.445 1.09 . . . . 0.0 110.979 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' TRP . . . . . 0.58 ' CH2' HD11 ' A' ' 43' ' ' LEU . 12.7 p-90 -138.37 170.9 15.21 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.512 1.133 . . . . 0.0 107.991 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -134.06 153.61 51.69 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.434 1.084 . . . . 0.0 109.247 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' SER . . . . . 0.435 ' HB3' ' CZ3' ' A' ' 80' ' ' TRP . 0.5 OUTLIER -78.21 -32.29 49.84 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.469 1.106 . . . . 0.0 110.028 -179.971 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 51.1 p-90 -78.48 -3.86 45.62 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 107.999 -1.111 . . . . 0.0 107.999 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 41.8 t -98.63 118.1 63.61 Favored Pre-proline 0 C--N 1.324 -0.527 0 O-C-N 124.56 1.163 . . . . 0.0 108.276 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.98 -54.29 0.09 OUTLIER 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.472 1.775 . . . . 0.0 111.008 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -47.68 -30.55 3.87 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.472 1.108 . . . . 0.0 109.312 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 1.3 m -74.59 -56.75 4.48 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.504 1.127 . . . . 0.0 108.398 179.877 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.418 ' CD1' ' O ' ' A' ' 34' ' ' SER . 0.4 OUTLIER -51.04 -41.04 59.61 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.522 1.139 . . . . 0.0 109.356 179.935 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 3.4 m -72.36 -25.79 61.66 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.491 1.119 . . . . 0.0 110.009 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 13.0 tt0 -82.73 -19.23 38.35 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.502 1.126 . . . . 0.0 110.375 179.921 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.58 HD11 ' CH2' ' A' ' 32' ' ' TRP . 13.5 mt -56.89 -54.86 41.71 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.393 1.058 . . . . 0.0 109.313 179.945 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -48.34 -50.75 22.81 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.425 1.078 . . . . 0.0 110.975 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . 0.473 ' HG2' ' CZ2' ' A' ' 49' ' ' TRP . 2.0 tp-100 -66.19 -32.3 73.65 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.484 0.756 . . . . 0.0 110.393 179.9 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 4.1 m -70.1 -28.94 65.81 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.553 1.158 . . . . 0.0 110.393 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 31.1 tt0 -73.99 -34.46 64.21 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.408 1.067 . . . . 0.0 110.284 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 26.1 tttt -78.18 -37.29 46.05 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.585 1.178 . . . . 0.0 109.313 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' TRP . . . . . 0.479 ' HB3' ' CE2' ' A' ' 55' ' ' PHE . 45.4 m0 -65.73 -34.31 77.9 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 107.94 -1.133 . . . . 0.0 107.94 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -74.23 -9.0 58.18 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.48 1.112 . . . . 0.0 109.348 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 9.7 mm100 -104.04 -14.7 15.83 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.493 1.121 . . . . 0.0 110.344 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 2.6 t0 -63.61 137.2 58.01 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.475 1.109 . . . . 0.0 109.336 179.919 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -60.23 -46.79 88.56 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.504 1.127 . . . . 0.0 109.277 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.29 -39.74 60.89 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.502 1.126 . . . . 0.0 109.275 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . 0.673 ' CZ ' ' CB ' ' A' ' 133' ' ' ALA . 1.2 m-85 -77.05 -28.52 54.77 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.427 1.079 . . . . 0.0 111.03 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' SER . . . . . 0.409 ' O ' ' C ' ' A' ' 57' ' ' SER . 3.2 t -49.5 -40.25 36.87 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.486 1.116 . . . . 0.0 110.006 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' SER . . . . . 0.409 ' C ' ' O ' ' A' ' 56' ' ' SER . 32.5 t -38.5 -58.46 1.03 Allowed 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.515 1.134 . . . . 0.0 110.051 179.93 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -101.92 165.74 11.02 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.442 1.088 . . . . 0.0 109.344 179.908 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 3.8 m-20 -88.98 124.75 34.55 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.497 1.123 . . . . 0.0 109.289 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.568 HD11 ' CE1' ' A' ' 55' ' ' PHE . 7.8 tt -112.91 125.89 54.87 Favored 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.471 1.107 . . . . 0.0 109.277 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 16.1 pt -151.83 160.83 3.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.486 1.116 . . . . 0.0 109.256 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 36.6 p -114.64 154.65 28.0 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.49 1.119 . . . . 0.0 110.345 -179.934 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 2.4 t -123.97 145.68 30.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.406 1.067 . . . . 0.0 109.284 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . 0.466 ' N ' ' O ' ' A' ' 92' ' ' VAL . . . -134.3 149.53 50.91 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.525 1.141 . . . . 0.0 109.338 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' SER . . . . . 0.475 ' CB ' ' HB3' ' A' ' 68' ' ' PHE . 9.1 m -121.81 108.97 34.42 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.45 1.094 . . . . 0.0 109.925 -179.929 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . 0.416 ' HD2' ' O ' ' A' ' 94' ' ' ASP . 18.2 Cg_endo -75.06 138.65 23.17 Favored 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.526 1.803 . . . . 0.0 110.989 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 62.83 12.46 42.19 Favored Glycine 0 CA--C 1.531 1.083 0 O-C-N 124.5 1.125 . . . . 0.0 111.034 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . 0.557 ' CE2' HD23 ' A' ' 69' ' ' LEU . 71.6 t80 -121.17 130.63 53.81 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.483 0.755 . . . . 0.0 110.992 -179.867 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.557 HD23 ' CE2' ' A' ' 68' ' ' PHE . 1.2 mm? 71.38 43.49 0.61 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.529 1.143 . . . . 0.0 109.294 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 1.9 t60 59.44 18.29 6.72 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.524 1.14 . . . . 0.0 109.569 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . 0.413 ' HG3' ' N ' ' A' ' 72' ' ' LYS . 4.0 tp10 -84.2 149.99 25.78 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.537 1.148 . . . . 0.0 110.303 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . 0.413 ' N ' ' HG3' ' A' ' 71' ' ' GLU . 2.1 mttt -49.16 138.37 12.37 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.424 1.078 . . . . 0.0 109.289 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 15.6 mttp -64.59 165.72 9.7 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.469 1.106 . . . . 0.0 109.361 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -52.57 156.49 1.84 Allowed 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.545 1.153 . . . . 0.0 109.32 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . 0.414 ' CA ' ' HG3' ' A' ' 78' ' ' GLN . . . 77.3 -52.48 3.41 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.385 1.053 . . . . 0.0 110.932 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -57.37 -54.28 48.58 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.496 0.762 . . . . 0.0 109.288 -179.898 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 80.8 t80 -59.32 -28.83 67.16 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.534 1.146 . . . . 0.0 110.929 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' GLN . . . . . 0.414 ' HG3' ' CA ' ' A' ' 75' ' ' GLY . 5.5 mt-30 -69.22 -29.26 67.17 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.378 1.048 . . . . 0.0 110.238 -179.914 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.57 -41.25 69.26 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.125 . . . . 0.0 109.142 -179.92 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 80' ' ' TRP . . . . . 0.435 ' CZ3' ' HB3' ' A' ' 34' ' ' SER . 3.4 t90 . . . . . 0 C--N 1.324 -0.517 0 N-CA-C 107.969 -1.123 . . . . 0.0 107.969 -179.908 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 10.8 mmtm . . . . . 0 N--CA 1.453 -0.32 0 N-CA-C 109.277 -0.638 . . . . 0.0 109.277 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 4.3 tp -116.45 124.07 29.91 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.52 1.137 . . . . 0.0 109.365 179.918 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 127.02 10.33 Favored 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.431 1.753 . . . . 0.0 111.032 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 15.5 t -140.54 118.92 10.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.509 1.13 . . . . 0.0 109.243 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . 0.466 ' O ' ' N ' ' A' ' 64' ' ' ALA . 43.9 t -107.91 143.26 18.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.473 1.108 . . . . 0.0 109.32 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 10.8 p -121.6 120.13 33.9 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.47 1.106 . . . . 0.0 110.33 -179.936 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 94' ' ' ASP . . . . . 0.47 ' HB2' ' CD1' ' A' ' 9' ' ' LEU . 50.2 t0 -115.15 109.97 18.82 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.515 1.134 . . . . 0.0 109.284 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 1.3 m120 -61.03 109.01 0.97 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.52 1.137 . . . . 0.0 109.271 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 88.93 -24.56 12.45 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.478 1.111 . . . . 0.0 111.049 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 72.29 77.48 0.55 Allowed Glycine 0 CA--C 1.529 0.952 0 N-CA-C 111.026 -0.83 . . . . 0.0 111.026 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 3.4 m -64.9 -43.74 91.88 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.456 0.739 . . . . 0.0 110.353 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 3.5 mt -76.63 -36.05 26.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.495 1.122 . . . . 0.0 109.308 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -62.14 -42.71 99.51 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.483 1.115 . . . . 0.0 109.328 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -80.54 -36.55 32.93 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.591 1.182 . . . . 0.0 110.268 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 47.7 t -65.98 -29.35 69.72 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.597 1.185 . . . . 0.0 109.993 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 27.4 mt -92.12 -13.09 31.28 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.501 1.126 . . . . 0.0 109.35 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 13.4 t-20 68.74 40.71 1.73 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.538 1.149 . . . . 0.0 109.279 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 105' ' ' ILE . . . . . 0.684 ' CD1' ' CZ ' ' A' ' 31' ' ' PHE . 47.8 mt -74.76 -86.04 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.484 1.115 . . . . 0.0 109.306 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 106' ' ' SER . . . . . 0.406 ' OG ' ' O ' ' A' ' 105' ' ' ILE . 66.1 p 53.77 23.47 3.78 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.5 1.125 . . . . 0.0 109.964 179.914 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 2.8 p -144.46 131.77 16.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.573 1.17 . . . . 0.0 109.285 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 108' ' ' TYR . . . . . 0.58 ' CE1' ' HB3' ' A' ' 31' ' ' PHE . 12.6 m-85 -131.83 152.52 80.47 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.43 1.081 . . . . 0.0 110.994 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 109' ' ' PRO . . . . . 0.503 ' C ' ' HA ' ' A' ' 108' ' ' TYR . 18.1 Cg_endo -75.05 170.06 72.87 Favored 'Cis proline' 0 C--N 1.36 1.156 0 C-N-CA 121.052 -2.478 . . . . 0.0 110.952 0.067 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 8.0 m -155.28 149.4 25.79 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.491 1.119 . . . . 0.0 109.998 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 111' ' ' TRP . . . . . 0.573 ' CE3' ' HB2' ' A' ' 30' ' ' LYS . 64.6 m95 -128.49 137.46 51.8 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.532 1.145 . . . . 0.0 108.062 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -129.19 143.19 50.77 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.489 1.118 . . . . 0.0 109.368 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 21.5 tp -108.78 133.98 52.09 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.439 1.087 . . . . 0.0 109.251 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 5.4 mm -122.88 108.91 22.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 O-C-N 124.415 1.072 . . . . 0.0 109.333 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -47.81 173.53 0.03 OUTLIER Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.453 1.096 . . . . 0.0 111.01 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.16 -17.85 64.98 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.448 0.734 . . . . 0.0 109.27 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -75.38 -23.81 57.14 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.495 1.122 . . . . 0.0 109.257 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . 97.73 22.64 15.5 Favored Glycine 0 CA--C 1.531 1.068 0 O-C-N 124.463 1.102 . . . . 0.0 110.943 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 2.1 p30 -120.66 145.45 47.43 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.554 0.797 . . . . 0.0 109.27 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 94.3 t -55.33 116.34 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 O-C-N 124.395 1.06 . . . . 0.0 109.356 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 8.4 pt20 -101.89 -32.27 10.3 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.545 1.153 . . . . 0.0 110.365 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 21.7 ttt180 -149.2 141.7 24.33 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.547 1.155 . . . . 0.0 110.309 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 123' ' ' ILE . . . . . . . . . . . . . 3.4 tt -122.46 135.05 63.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.459 1.099 . . . . 0.0 109.294 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 37.1 t -128.47 138.55 54.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.548 1.155 . . . . 0.0 109.369 179.924 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 4.1 mtmp? -118.19 116.66 27.27 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.426 1.079 . . . . 0.0 109.323 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . 126.41 -155.7 19.55 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.558 1.161 . . . . 0.0 111.065 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -113.73 163.74 14.62 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.472 0.748 . . . . 0.0 110.035 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 128' ' ' ILE . . . . . . . . . . . . . 13.4 pt -143.63 167.22 13.19 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 O-C-N 124.551 1.157 . . . . 0.0 109.309 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 129' ' ' ASN . . . . . . . . . . . . . 3.7 p30 -108.46 168.22 9.48 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.504 1.127 . . . . 0.0 109.267 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 34.7 tt0 -57.2 -27.18 61.74 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.441 1.088 . . . . 0.0 110.284 -179.919 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -68.47 -51.67 40.91 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.543 1.152 . . . . 0.0 109.292 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 3.0 mt-30 -51.0 -45.68 61.23 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.576 1.173 . . . . 0.0 110.261 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 133' ' ' ALA . . . . . 0.673 ' CB ' ' CZ ' ' A' ' 55' ' ' PHE . . . -55.74 -50.29 70.79 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.578 1.174 . . . . 0.0 109.327 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 2.6 mt . . . . . 0 C--N 1.325 -0.457 0 O-C-N 124.455 1.097 . . . . 0.0 109.358 179.953 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . 0.45 HD13 ' CB ' ' A' ' 94' ' ' ASP . 10.9 mt . . . . . 0 N--CA 1.453 -0.308 0 N-CA-C 109.223 -0.658 . . . . 0.0 109.223 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -131.88 160.47 35.59 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.462 1.101 . . . . 0.0 109.337 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 35.7 p -92.76 179.05 5.59 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.501 1.125 . . . . 0.0 110.358 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -64.17 -14.11 52.98 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.39 1.056 . . . . 0.0 109.306 179.925 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -97.17 15.17 23.44 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.561 1.163 . . . . 0.0 109.299 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 56.6 28.96 14.78 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.468 1.105 . . . . 0.0 109.304 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -101.88 157.78 33.03 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.416 1.073 . . . . 0.0 110.349 179.946 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 125.97 9.68 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.433 1.754 . . . . 0.0 111.02 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -60.63 -34.9 74.94 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.539 1.15 . . . . 0.0 109.318 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 8.5 t -50.73 -29.82 12.35 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.488 1.118 . . . . 0.0 110.041 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -61.73 -35.87 70.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.432 1.083 . . . . 0.0 109.322 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 20.8 m-85 -94.87 19.71 9.82 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.551 1.157 . . . . 0.0 111.055 179.93 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.415 HD11 ' CG2' ' A' ' 27' ' ' THR . 0.6 OUTLIER -119.28 120.27 36.5 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.391 1.057 . . . . 0.0 109.29 179.983 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . 0.405 ' O ' ' N ' ' A' ' 24' ' ' ASP . 0.0 OUTLIER -97.44 106.07 18.32 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.522 1.139 . . . . 0.0 109.358 179.924 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.22 56.45 0.15 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.517 1.136 . . . . 0.0 109.335 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . 0.405 ' N ' ' O ' ' A' ' 22' ' ' LYS . 0.5 OUTLIER 169.32 37.68 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.524 1.14 . . . . 0.0 109.269 -179.932 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -170.47 162.87 6.04 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.547 1.154 . . . . 0.0 109.28 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.91 142.92 28.75 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.465 1.771 . . . . 0.0 111.041 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' THR . . . . . 0.415 ' CG2' HD11 ' A' ' 21' ' ' LEU . 23.9 m -117.4 124.93 50.07 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.532 1.145 . . . . 0.0 110.334 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 15.1 tp -107.97 128.15 54.39 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.443 1.089 . . . . 0.0 109.34 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 2.5 mt -107.62 150.41 10.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.529 1.143 . . . . 0.0 109.279 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.492 ' HD2' ' CZ2' ' A' ' 111' ' ' TRP . 2.7 tttp -138.79 110.67 7.2 Favored 'General case' 0 C--N 1.326 -0.415 0 O-C-N 124.484 1.115 . . . . 0.0 109.232 -179.94 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . 0.581 ' HB3' ' CE1' ' A' ' 108' ' ' TYR . 62.6 m-85 -83.47 126.52 32.86 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.566 1.166 . . . . 0.0 111.019 179.921 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' TRP . . . . . 0.568 ' CH2' HD13 ' A' ' 43' ' ' LEU . 5.2 p-90 -134.31 167.03 21.46 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.477 1.11 . . . . 0.0 108.034 179.895 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -138.86 138.79 37.8 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.495 1.122 . . . . 0.0 109.259 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -61.86 -43.83 98.05 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.124 . . . . 0.0 110.075 179.933 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 31.2 p-90 -65.04 -19.35 65.95 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 107.98 -1.119 . . . . 0.0 107.98 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 43.0 t -83.63 116.0 62.38 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.436 1.085 . . . . 0.0 108.294 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -54.31 0.09 OUTLIER 'Trans proline' 0 C--N 1.361 1.222 0 O-C-N 124.461 1.769 . . . . 0.0 111.017 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -47.96 -32.7 6.76 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.519 1.137 . . . . 0.0 109.313 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 4.1 m -68.61 -57.45 5.71 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.494 1.121 . . . . 0.0 108.245 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 16.9 mt -50.83 -52.18 43.9 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.502 1.126 . . . . 0.0 109.24 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.3 p -52.4 -25.32 9.59 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.558 1.161 . . . . 0.0 110.034 -179.913 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -93.36 -32.14 14.38 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.503 1.127 . . . . 0.0 110.343 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.568 HD13 ' CH2' ' A' ' 32' ' ' TRP . 0.2 OUTLIER -44.17 -54.43 5.63 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.533 1.146 . . . . 0.0 109.391 179.929 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -52.48 -52.87 34.91 Favored Glycine 0 CA--C 1.529 0.925 0 O-C-N 124.485 1.116 . . . . 0.0 111.035 179.879 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . 0.559 ' CD ' ' CZ2' ' A' ' 49' ' ' TRP . 43.9 tt0 -62.07 -30.02 70.7 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.442 0.73 . . . . 0.0 110.326 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 98.3 m -68.67 -38.89 80.73 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.553 1.158 . . . . 0.0 110.428 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 17.7 tt0 -60.98 -37.68 83.31 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.474 1.109 . . . . 0.0 110.281 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 5.4 ttpt -78.52 -37.52 42.85 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.489 1.118 . . . . 0.0 109.301 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' TRP . . . . . 0.559 ' CZ2' ' CD ' ' A' ' 45' ' ' GLN . 34.4 m0 -60.87 -31.47 70.94 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 107.952 -1.129 . . . . 0.0 107.952 -179.947 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -74.26 -8.88 57.77 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.616 1.197 . . . . 0.0 109.305 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 4.9 mt-30 -101.14 -10.6 20.28 Favored 'General case' 0 C--N 1.326 -0.413 0 O-C-N 124.485 1.115 . . . . 0.0 110.319 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 4.1 t70 -67.58 124.63 23.76 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.46 1.1 . . . . 0.0 109.286 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -52.21 -45.53 65.27 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.434 1.084 . . . . 0.0 109.287 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . 0.439 ' HB3' ' CD2' ' A' ' 134' ' ' LEU . 0.0 OUTLIER -50.17 -47.18 54.6 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.446 1.091 . . . . 0.0 109.352 -179.979 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . 0.473 ' CE1' HD11 ' A' ' 60' ' ' LEU . 0.6 OUTLIER -67.88 -28.09 67.23 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.377 1.048 . . . . 0.0 111.067 179.961 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' SER . . . . . 0.403 ' O ' ' C ' ' A' ' 57' ' ' SER . 1.0 OUTLIER -46.52 -40.25 12.25 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.464 1.103 . . . . 0.0 109.939 179.995 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' SER . . . . . 0.403 ' C ' ' O ' ' A' ' 56' ' ' SER . 69.8 m -39.42 -62.97 0.61 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.523 1.14 . . . . 0.0 109.987 -179.908 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . 0.406 ' O ' ' O ' ' A' ' 55' ' ' PHE . . . -100.65 165.99 11.12 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.529 1.143 . . . . 0.0 109.197 -179.941 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 67.6 m-80 -89.03 131.72 35.08 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.52 1.138 . . . . 0.0 109.241 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.494 ' C ' ' CD2' ' A' ' 60' ' ' LEU . 3.4 tt -118.39 127.03 53.29 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.48 1.113 . . . . 0.0 109.268 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . 0.46 ' CD1' HG23 ' A' ' 92' ' ' VAL . 0.9 OUTLIER -151.73 160.93 3.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 O-C-N 124.581 1.175 . . . . 0.0 109.237 179.995 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' THR . . . . . 0.542 ' HB ' ' CD1' ' A' ' 32' ' ' TRP . 41.5 p -115.72 150.05 37.46 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.455 1.097 . . . . 0.0 110.395 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 3.4 t -123.79 145.24 31.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.439 1.087 . . . . 0.0 109.309 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . 0.411 ' N ' ' O ' ' A' ' 92' ' ' VAL . . . -132.9 149.7 52.23 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.457 1.098 . . . . 0.0 109.33 179.909 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 2.6 p -126.62 108.92 22.96 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.49 1.119 . . . . 0.0 109.962 -179.934 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . 0.411 ' HD2' ' O ' ' A' ' 94' ' ' ASP . 18.5 Cg_endo -74.92 131.38 14.32 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.485 1.782 . . . . 0.0 111.094 179.903 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 86.62 -14.5 55.44 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.495 1.122 . . . . 0.0 110.991 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . 0.439 ' O ' ' HB2' ' A' ' 71' ' ' GLU . 0.5 OUTLIER -98.86 131.46 44.94 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.452 0.736 . . . . 0.0 111.035 -179.987 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.584 ' CD2' ' CE2' ' A' ' 108' ' ' TYR . 11.0 mp 66.84 14.54 9.85 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.564 1.165 . . . . 0.0 109.275 -179.951 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER 74.84 43.08 0.24 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.522 1.139 . . . . 0.0 109.595 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . 0.439 ' HB2' ' O ' ' A' ' 68' ' ' PHE . 0.2 OUTLIER -94.56 142.36 27.53 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.488 1.117 . . . . 0.0 110.317 180.0 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -42.28 119.98 1.52 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.45 1.094 . . . . 0.0 109.311 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 6.0 tptm -62.41 151.67 36.37 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.613 1.196 . . . . 0.0 109.402 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -44.82 141.59 2.08 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.481 1.113 . . . . 0.0 109.277 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . 0.492 ' CA ' ' HG2' ' A' ' 78' ' ' GLN . . . 91.71 -50.35 2.89 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.556 1.16 . . . . 0.0 110.99 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -71.64 -35.0 70.27 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.535 0.786 . . . . 0.0 109.34 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 33.7 t80 -71.86 -29.75 64.7 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.522 1.139 . . . . 0.0 111.062 179.913 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 78' ' ' GLN . . . . . 0.492 ' HG2' ' CA ' ' A' ' 75' ' ' GLY . 2.8 mm100 -68.43 -36.85 79.65 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.483 1.115 . . . . 0.0 110.313 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 9.1 mttt -61.01 -39.22 88.9 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.535 1.147 . . . . 0.0 109.276 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 80' ' ' TRP . . . . . . . . . . . . . 2.6 t90 . . . . . 0 C--N 1.325 -0.498 0 N-CA-C 108.02 -1.104 . . . . 0.0 108.02 -179.969 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 17.5 mttt . . . . . 0 N--CA 1.453 -0.284 0 N-CA-C 109.33 -0.618 . . . . 0.0 109.33 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 1.9 tp -123.18 119.79 27.51 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.433 1.083 . . . . 0.0 109.369 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 90' ' ' PRO . . . . . 0.404 ' HG2' ' HA ' ' A' ' 61' ' ' ILE . 18.5 Cg_endo -74.92 127.34 10.67 Favored 'Trans proline' 0 C--N 1.358 1.062 0 O-C-N 124.432 1.754 . . . . 0.0 111.021 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 7.5 t -145.8 117.94 2.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.473 1.108 . . . . 0.0 109.273 -179.938 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . 0.46 HG23 ' CD1' ' A' ' 61' ' ' ILE . 46.3 t -112.14 134.21 55.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.57 1.169 . . . . 0.0 109.238 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 4.7 p -108.24 116.43 31.94 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.532 1.145 . . . . 0.0 110.322 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 94' ' ' ASP . . . . . 0.45 ' CB ' HD13 ' A' ' 9' ' ' LEU . 59.8 t0 -109.59 110.5 21.59 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.555 1.16 . . . . 0.0 109.344 179.907 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 41.3 t-20 -58.77 113.54 2.09 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.466 1.104 . . . . 0.0 109.331 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 87.25 -21.23 21.95 Favored Glycine 0 CA--C 1.529 0.946 0 O-C-N 124.532 1.145 . . . . 0.0 110.977 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 66.8 74.38 0.55 Allowed Glycine 0 CA--C 1.53 0.975 0 N-CA-C 111.018 -0.833 . . . . 0.0 111.018 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 98' ' ' THR . . . . . 0.463 ' O ' ' CB ' ' A' ' 102' ' ' SER . 1.0 OUTLIER -69.2 -29.2 67.12 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.491 0.759 . . . . 0.0 110.43 179.962 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 3.3 mt -77.54 -36.13 22.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.485 1.115 . . . . 0.0 109.288 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -70.28 -39.78 74.69 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.415 1.072 . . . . 0.0 109.322 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 7.2 pt20 -80.11 -31.87 39.11 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.514 1.134 . . . . 0.0 110.3 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 102' ' ' SER . . . . . 0.463 ' CB ' ' O ' ' A' ' 98' ' ' THR . 11.1 t -63.57 -32.71 74.25 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.526 1.141 . . . . 0.0 109.99 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 7.6 mt -100.58 -8.05 23.4 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.513 1.133 . . . . 0.0 109.318 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 37.0 t30 62.07 62.01 1.27 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.552 1.157 . . . . 0.0 109.231 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 105' ' ' ILE . . . . . 0.47 ' CD1' ' CZ ' ' A' ' 31' ' ' PHE . 8.3 mt -94.83 -73.54 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.546 1.154 . . . . 0.0 109.315 179.951 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 26.5 p 53.05 27.34 5.62 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.51 1.131 . . . . 0.0 109.978 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 107' ' ' VAL . . . . . 0.406 HG11 ' CG2' ' A' ' 105' ' ' ILE . 2.4 p -148.51 131.97 8.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.431 1.082 . . . . 0.0 109.339 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 108' ' ' TYR . . . . . 0.584 ' CE2' ' CD2' ' A' ' 69' ' ' LEU . 15.8 m-85 -131.36 152.98 81.48 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.555 1.16 . . . . 0.0 110.994 -179.932 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 109' ' ' PRO . . . . . 0.504 ' C ' ' HA ' ' A' ' 108' ' ' TYR . 18.2 Cg_endo -74.99 173.59 57.08 Favored 'Cis proline' 0 C--N 1.36 1.181 0 C-N-CA 121.047 -2.48 . . . . 0.0 110.997 -0.014 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 110' ' ' SER . . . . . 0.406 ' O ' ' HA ' ' A' ' 30' ' ' LYS . 0.0 OUTLIER -155.59 154.04 31.06 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.576 1.173 . . . . 0.0 109.971 179.964 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 111' ' ' TRP . . . . . 0.492 ' CZ2' ' HD2' ' A' ' 30' ' ' LYS . 61.5 m95 -124.69 137.97 54.32 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.547 1.154 . . . . 0.0 107.992 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -129.52 136.32 49.71 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.482 1.114 . . . . 0.0 109.283 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 23.9 tp -108.64 133.72 52.35 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.415 1.072 . . . . 0.0 109.225 -179.931 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 5.0 mm -122.13 119.42 58.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.491 1.119 . . . . 0.0 109.228 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 115' ' ' GLY . . . . . 0.455 ' CA ' ' HG3' ' A' ' 121' ' ' GLN . . . -49.99 164.51 0.61 Allowed Glycine 0 CA--C 1.529 0.945 0 O-C-N 124.518 1.136 . . . . 0.0 110.934 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.61 -15.08 63.41 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.47 0.747 . . . . 0.0 109.276 -179.946 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -78.83 -22.53 46.02 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.492 1.12 . . . . 0.0 109.294 179.952 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . 101.42 28.02 6.95 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.478 1.111 . . . . 0.0 110.969 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 3.1 p-10 -126.17 153.13 45.07 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.577 0.81 . . . . 0.0 109.311 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 70.3 t -52.68 118.5 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.554 1.159 . . . . 0.0 109.304 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 121' ' ' GLN . . . . . 0.455 ' HG3' ' CA ' ' A' ' 115' ' ' GLY . 0.0 OUTLIER -96.01 -56.69 2.57 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.58 1.175 . . . . 0.0 110.39 179.941 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -151.7 150.7 30.52 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.535 1.147 . . . . 0.0 110.316 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 123' ' ' ILE . . . . . . . . . . . . . 14.0 tt -116.44 141.94 32.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 O-C-N 124.476 1.11 . . . . 0.0 109.318 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 16.0 t -134.24 130.34 54.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.469 1.106 . . . . 0.0 109.334 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -115.64 131.68 56.86 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.48 1.112 . . . . 0.0 109.254 -179.933 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . 121.87 -153.63 16.76 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.439 1.087 . . . . 0.0 111.008 -180.0 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -125.68 141.42 52.02 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.548 0.793 . . . . 0.0 109.938 -179.93 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 128' ' ' ILE . . . . . . . . . . . . . 4.1 pt -120.49 163.08 18.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.463 1.102 . . . . 0.0 109.323 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 129' ' ' ASN . . . . . . . . . . . . . 1.8 p30 -108.0 165.41 11.49 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.572 1.17 . . . . 0.0 109.344 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 130' ' ' GLU . . . . . 0.476 ' OE1' ' CD1' ' A' ' 49' ' ' TRP . 1.4 tt0 -51.24 -33.77 29.44 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.45 1.094 . . . . 0.0 110.318 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -56.99 -54.79 42.75 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.551 1.157 . . . . 0.0 109.289 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 5.6 mt-30 -51.24 -48.0 62.23 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.482 1.114 . . . . 0.0 110.277 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 133' ' ' ALA . . . . . 0.434 ' HB2' ' CZ ' ' A' ' 55' ' ' PHE . . . -52.74 -45.87 67.21 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.526 1.142 . . . . 0.0 109.281 -179.942 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 134' ' ' LEU . . . . . 0.439 ' CD2' ' HB3' ' A' ' 54' ' ' LYS . 61.1 mt . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.475 1.109 . . . . 0.0 109.366 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 49.4 mt . . . . . 0 N--CA 1.453 -0.302 0 N-CA-C 109.376 -0.601 . . . . 0.0 109.376 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 11.0 mttt -133.83 150.58 51.41 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.508 1.13 . . . . 0.0 109.197 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 37.9 p -83.63 -179.13 7.24 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.475 1.11 . . . . 0.0 110.45 179.929 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -75.37 -3.52 34.09 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.531 1.144 . . . . 0.0 109.287 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -104.99 18.16 22.86 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.515 1.134 . . . . 0.0 109.313 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 58.8 33.41 23.04 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.516 1.135 . . . . 0.0 109.29 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -108.57 146.05 32.88 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.46 1.1 . . . . 0.0 110.276 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . 0.477 ' HG2' ' CG2' ' A' ' 19' ' ' VAL . 18.3 Cg_endo -75.03 136.6 20.55 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.575 1.829 . . . . 0.0 110.962 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -70.68 -27.9 64.37 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.426 1.079 . . . . 0.0 109.352 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' SER . . . . . 0.406 ' HA ' ' CD2' ' A' ' 21' ' ' LEU . 55.0 p -56.18 -18.38 10.0 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.501 1.125 . . . . 0.0 110.05 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . 0.477 ' CG2' ' HG2' ' A' ' 16' ' ' PRO . 73.8 t -62.29 -31.21 50.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.395 1.06 . . . . 0.0 109.222 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 23.3 m-85 -121.75 28.81 7.44 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.506 1.129 . . . . 0.0 110.932 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.445 ' O ' ' N ' ' A' ' 23' ' ' LYS . 0.4 OUTLIER -71.21 100.75 2.15 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.487 1.117 . . . . 0.0 109.199 -179.962 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . 0.551 ' CD ' ' O ' ' A' ' 25' ' ' LYS . 0.1 OUTLIER -39.6 98.58 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.47 1.106 . . . . 0.0 109.248 179.983 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . 0.551 ' O ' ' CB ' ' A' ' 24' ' ' ASP . 17.7 tttt -67.04 64.86 0.06 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.461 1.101 . . . . 0.0 109.256 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . 0.551 ' CB ' ' O ' ' A' ' 23' ' ' LYS . 3.2 t70 85.82 31.22 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.52 1.137 . . . . 0.0 109.274 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.551 ' O ' ' CD ' ' A' ' 22' ' ' LYS . 15.2 mtpt -124.23 165.2 25.5 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.526 1.141 . . . . 0.0 109.296 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . 0.405 ' HD2' ' HB3' ' A' ' 25' ' ' LYS . 18.0 Cg_endo -75.0 134.48 17.86 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.451 1.764 . . . . 0.0 110.915 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' THR . . . . . 0.428 ' CB ' ' HG2' ' A' ' 22' ' ' LYS . 0.9 OUTLIER -121.04 143.01 49.28 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.535 1.147 . . . . 0.0 110.401 -179.993 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 25.1 tp -122.93 129.98 52.26 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.518 1.136 . . . . 0.0 109.324 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . 0.463 HD12 ' CG1' ' A' ' 114' ' ' ILE . 2.2 mp -107.02 152.91 8.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.42 1.075 . . . . 0.0 109.346 179.934 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.498 ' NZ ' ' CZ2' ' A' ' 111' ' ' TRP . 10.3 tptm -139.0 109.76 6.68 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.605 1.191 . . . . 0.0 109.267 -179.945 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . 0.584 ' HB3' ' CE1' ' A' ' 108' ' ' TYR . 66.3 m-85 -80.87 131.72 35.4 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.504 1.127 . . . . 0.0 110.985 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' TRP . . . . . 0.577 ' CE3' HD23 ' A' ' 43' ' ' LEU . 5.8 p-90 -141.26 167.21 22.73 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 107.984 -1.117 . . . . 0.0 107.984 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -134.02 147.85 51.01 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.549 1.155 . . . . 0.0 109.244 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' SER . . . . . 0.594 ' OG ' ' CZ3' ' A' ' 80' ' ' TRP . 47.7 t -73.74 -18.59 60.97 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.452 1.095 . . . . 0.0 109.978 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 20.7 p-90 -91.18 -12.46 35.31 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.568 1.167 . . . . 0.0 107.935 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . 0.402 ' SG ' ' SG ' ' A' ' 39' ' ' CYS . 34.5 t -86.35 114.81 59.46 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.526 1.141 . . . . 0.0 108.317 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.92 -48.42 0.18 Allowed 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.455 1.766 . . . . 0.0 111.002 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.405 ' HG ' ' N ' ' A' ' 39' ' ' CYS . 0.3 OUTLIER -52.19 -34.61 46.06 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.488 1.117 . . . . 0.0 109.292 -179.888 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . 0.405 ' N ' ' HG ' ' A' ' 38' ' ' LEU . 57.0 m -73.48 -43.47 60.1 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.523 1.139 . . . . 0.0 108.288 179.951 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 13.8 mt -51.3 -47.65 62.54 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.563 1.165 . . . . 0.0 109.264 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 2.6 p -70.44 -25.3 63.13 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.545 1.153 . . . . 0.0 110.011 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -77.7 -24.98 49.11 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.56 1.163 . . . . 0.0 110.279 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.577 HD23 ' CE3' ' A' ' 32' ' ' TRP . 19.2 mt -50.55 -54.79 19.79 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.578 1.174 . . . . 0.0 109.343 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -53.1 -54.17 30.48 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.523 1.139 . . . . 0.0 110.961 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -61.1 -30.52 70.41 Favored 'General case' 0 C--N 1.327 -0.407 0 O-C-N 124.506 0.768 . . . . 0.0 110.327 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 51.9 m -69.12 -37.25 78.24 Favored 'General case' 0 C--N 1.327 -0.396 0 O-C-N 124.593 1.183 . . . . 0.0 110.438 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 13.8 tt0 -69.85 -37.42 76.13 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.462 1.101 . . . . 0.0 110.303 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -69.31 -33.11 72.65 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.436 1.085 . . . . 0.0 109.296 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' TRP . . . . . 0.408 ' HB3' ' CE2' ' A' ' 55' ' ' PHE . 46.9 m0 -76.26 -28.11 56.95 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 108.028 -1.101 . . . . 0.0 108.028 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -74.35 -8.94 57.95 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.524 1.14 . . . . 0.0 109.279 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -103.82 -17.08 15.2 Favored 'General case' 0 C--N 1.323 -0.554 0 O-C-N 124.569 1.168 . . . . 0.0 110.342 179.945 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.9 t0 -57.32 129.43 41.78 Favored 'General case' 0 C--N 1.327 -0.404 0 O-C-N 124.436 1.085 . . . . 0.0 109.296 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -58.37 -48.91 79.1 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.488 1.118 . . . . 0.0 109.263 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -49.2 -38.78 27.3 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.509 1.131 . . . . 0.0 109.302 -179.921 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . 0.574 ' CZ ' ' HB2' ' A' ' 133' ' ' ALA . 0.1 OUTLIER -75.21 -28.55 60.01 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.467 1.105 . . . . 0.0 110.932 179.993 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -46.51 -40.16 12.07 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.476 1.11 . . . . 0.0 110.021 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 33.1 t -39.8 -55.22 2.0 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.47 1.106 . . . . 0.0 109.967 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . 0.404 ' O ' ' O ' ' A' ' 55' ' ' PHE . . . -106.97 165.78 11.09 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.534 1.147 . . . . 0.0 109.291 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 2.0 m-20 -89.04 130.08 35.56 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.407 1.067 . . . . 0.0 109.292 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.443 ' O ' ' CG2' ' A' ' 61' ' ' ILE . 4.7 tt -116.72 125.93 52.4 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.57 1.169 . . . . 0.0 109.305 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . 0.443 ' CG2' ' O ' ' A' ' 60' ' ' LEU . 1.8 pp -153.93 162.32 2.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 O-C-N 124.511 1.132 . . . . 0.0 109.343 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' THR . . . . . 0.571 ' HB ' ' CD1' ' A' ' 32' ' ' TRP . 55.1 p -111.82 147.6 35.38 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.5 1.125 . . . . 0.0 110.391 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 2.1 t -116.65 144.11 25.17 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.441 1.088 . . . . 0.0 109.272 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -134.66 146.47 49.54 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.564 1.165 . . . . 0.0 109.355 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' SER . . . . . 0.4 ' CB ' ' HB3' ' A' ' 68' ' ' PHE . 68.6 p -120.36 108.14 38.25 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.463 1.102 . . . . 0.0 109.937 -179.887 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.94 136.67 20.84 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.482 1.78 . . . . 0.0 111.028 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 72.11 6.18 63.91 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.483 1.114 . . . . 0.0 110.964 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . 0.4 ' HB3' ' CB ' ' A' ' 65' ' ' SER . 51.7 t80 -118.64 126.88 52.91 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.475 0.75 . . . . 0.0 110.998 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 1.2 tp 69.12 48.31 0.69 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.485 1.115 . . . . 0.0 109.314 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER 51.52 23.61 1.92 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.535 1.147 . . . . 0.0 109.633 179.947 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . 0.423 ' HG3' ' N ' ' A' ' 72' ' ' LYS . 6.5 tp10 -77.41 151.08 34.96 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.49 1.118 . . . . 0.0 110.348 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . 0.423 ' N ' ' HG3' ' A' ' 71' ' ' GLU . 0.0 OUTLIER -53.84 131.84 40.55 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.528 1.142 . . . . 0.0 109.329 179.966 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 1.6 tttt -62.58 148.1 47.13 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.447 1.092 . . . . 0.0 109.288 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -50.34 150.78 2.4 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.463 1.102 . . . . 0.0 109.314 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . 0.409 ' CA ' ' HG2' ' A' ' 78' ' ' GLN . . . 86.27 -48.91 4.0 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.401 1.063 . . . . 0.0 111.016 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -70.93 -36.09 72.51 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.577 0.81 . . . . 0.0 109.277 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 77' ' ' PHE . . . . . 0.474 ' C ' ' CD1' ' A' ' 77' ' ' PHE . 0.7 OUTLIER -77.5 -57.17 3.97 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.451 1.094 . . . . 0.0 111.005 179.963 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 78' ' ' GLN . . . . . 0.409 ' HG2' ' CA ' ' A' ' 75' ' ' GLY . 19.2 pt20 -50.94 -25.34 4.51 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.534 1.146 . . . . 0.0 110.33 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 9.0 mtpt -77.82 -49.02 15.14 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.531 1.145 . . . . 0.0 109.299 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 80' ' ' TRP . . . . . 0.594 ' CZ3' ' OG ' ' A' ' 34' ' ' SER . 14.2 t90 . . . . . 0 C--N 1.325 -0.468 0 O-C-N 124.462 1.101 . . . . 0.0 108.035 179.876 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 12.9 mttp . . . . . 0 N--CA 1.452 -0.372 0 N-CA-C 109.274 -0.639 . . . . 0.0 109.274 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . 0.421 ' CD1' ' HD2' ' A' ' 90' ' ' PRO . 6.9 tp -98.71 128.3 33.05 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.576 1.172 . . . . 0.0 109.276 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 90' ' ' PRO . . . . . 0.421 ' HD2' ' CD1' ' A' ' 89' ' ' LEU . 18.6 Cg_endo -74.89 128.15 11.33 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.542 1.812 . . . . 0.0 111.07 179.924 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 12.2 t -143.56 121.66 6.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 O-C-N 124.562 1.164 . . . . 0.0 109.348 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 99.5 t -115.94 128.56 73.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.548 1.155 . . . . 0.0 109.266 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 3.2 p -105.72 116.21 31.55 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.532 1.145 . . . . 0.0 110.402 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 53.5 t0 -113.94 111.74 22.19 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.52 1.137 . . . . 0.0 109.322 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 24.5 t-20 -56.82 118.07 4.56 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.518 1.136 . . . . 0.0 109.251 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 88.65 -21.71 24.76 Favored Glycine 0 CA--C 1.531 1.092 0 O-C-N 124.498 1.124 . . . . 0.0 110.896 179.914 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 71.8 55.84 7.03 Favored Glycine 0 CA--C 1.529 0.966 0 N-CA-C 110.948 -0.861 . . . . 0.0 110.948 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 3.4 m -52.54 -32.22 39.65 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.424 0.72 . . . . 0.0 110.287 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 99' ' ' ILE . . . . . 0.523 ' CD1' ' N ' ' A' ' 99' ' ' ILE . 1.2 mm -70.14 -37.49 72.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.52 1.137 . . . . 0.0 109.368 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 100' ' ' ALA . . . . . 0.407 ' O ' ' N ' ' A' ' 105' ' ' ILE . . . -76.95 -40.05 48.4 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.474 1.108 . . . . 0.0 109.275 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 1.6 mt-30 -72.4 -33.87 67.47 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.128 . . . . 0.0 110.219 -179.951 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 3.3 m -65.34 -35.44 80.98 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.528 1.143 . . . . 0.0 109.965 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . 0.471 ' HB3' ' CD1' ' A' ' 123' ' ' ILE . 39.9 mt -104.74 12.41 32.81 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.444 1.09 . . . . 0.0 109.321 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 14.4 t30 43.87 70.46 0.32 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.506 1.129 . . . . 0.0 109.324 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 105' ' ' ILE . . . . . 0.407 ' N ' ' O ' ' A' ' 100' ' ' ALA . 68.5 mt -109.2 151.66 11.46 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 O-C-N 124.465 1.103 . . . . 0.0 109.285 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 8.9 p -162.88 29.83 0.1 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.474 1.109 . . . . 0.0 110.025 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 2.0 p -147.26 132.3 11.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.456 1.097 . . . . 0.0 109.275 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 108' ' ' TYR . . . . . 0.584 ' CE1' ' HB3' ' A' ' 31' ' ' PHE . 22.7 m-85 -130.77 152.91 81.34 Favored Pre-proline 0 C--N 1.324 -0.532 0 O-C-N 124.488 1.117 . . . . 0.0 111.006 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 109' ' ' PRO . . . . . 0.512 ' C ' ' HA ' ' A' ' 108' ' ' TYR . 18.4 Cg_endo -74.86 171.99 65.11 Favored 'Cis proline' 0 C--N 1.36 1.174 0 C-N-CA 121.014 -2.494 . . . . 0.0 111.028 -0.121 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -146.27 164.16 33.2 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.526 1.141 . . . . 0.0 110.081 179.864 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 111' ' ' TRP . . . . . 0.498 ' CZ2' ' NZ ' ' A' ' 30' ' ' LYS . 58.6 m95 -134.66 138.13 44.19 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.515 1.135 . . . . 0.0 108.017 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -129.16 138.27 51.67 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.437 1.086 . . . . 0.0 109.261 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 15.2 tp -108.41 136.28 48.29 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.42 1.075 . . . . 0.0 109.352 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 114' ' ' ILE . . . . . 0.463 ' CG1' HD12 ' A' ' 29' ' ' ILE . 4.7 mm -122.15 118.99 57.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.446 1.091 . . . . 0.0 109.343 179.936 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 115' ' ' GLY . . . . . 0.409 ' N ' ' HB2' ' A' ' 121' ' ' GLN . . . -51.69 164.58 1.19 Allowed Glycine 0 CA--C 1.531 1.067 0 O-C-N 124.43 1.081 . . . . 0.0 111.012 -179.957 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.83 -9.88 48.23 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.598 0.822 . . . . 0.0 109.33 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -87.19 -23.35 24.82 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.551 1.157 . . . . 0.0 109.297 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . 103.85 25.9 6.99 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.539 1.149 . . . . 0.0 110.948 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 20.1 p-10 -122.6 158.71 29.36 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.487 0.757 . . . . 0.0 109.321 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 63.7 t -57.79 117.14 1.41 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.595 1.184 . . . . 0.0 109.321 -179.929 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 121' ' ' GLN . . . . . 0.409 ' HB2' ' N ' ' A' ' 115' ' ' GLY . 8.1 tt0 -94.44 -49.19 5.79 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.489 1.118 . . . . 0.0 110.252 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -155.7 155.1 32.56 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.501 1.126 . . . . 0.0 110.298 -179.952 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 123' ' ' ILE . . . . . 0.471 ' CD1' ' HB3' ' A' ' 103' ' ' LEU . 7.8 tt -123.55 137.77 55.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.468 1.105 . . . . 0.0 109.293 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 96.2 t -128.86 137.64 56.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.503 1.127 . . . . 0.0 109.339 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -115.79 125.41 52.69 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.539 1.15 . . . . 0.0 109.296 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . 116.61 -149.4 18.78 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.554 1.159 . . . . 0.0 111.082 -179.928 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -122.02 161.16 23.48 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.512 0.771 . . . . 0.0 110.017 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 128' ' ' ILE . . . . . . . . . . . . . 10.0 pt -135.36 166.59 27.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.501 1.126 . . . . 0.0 109.227 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 129' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -107.12 166.47 10.6 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.551 1.157 . . . . 0.0 109.253 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 18.3 tt0 -51.93 -36.31 48.73 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.485 1.116 . . . . 0.0 110.272 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -61.28 -51.03 70.6 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.46 1.1 . . . . 0.0 109.274 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 4.0 mt-30 -50.94 -44.61 60.41 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.414 1.071 . . . . 0.0 110.275 -179.925 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 133' ' ' ALA . . . . . 0.574 ' HB2' ' CZ ' ' A' ' 55' ' ' PHE . . . -53.03 -46.41 68.44 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.41 1.069 . . . . 0.0 109.3 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 9.0 mt . . . . . 0 C--N 1.325 -0.458 0 O-C-N 124.456 1.097 . . . . 0.0 109.251 -179.963 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . 0.429 ' CD1' ' HA ' ' A' ' 94' ' ' ASP . 2.2 mm? . . . . . 0 N--CA 1.454 -0.273 0 N-CA-C 109.278 -0.638 . . . . 0.0 109.278 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 28.9 mttm -113.7 155.76 25.0 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.546 1.154 . . . . 0.0 109.328 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 14.7 p -82.59 -178.6 7.14 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.488 1.118 . . . . 0.0 110.355 -179.947 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -70.32 -9.18 55.38 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.536 1.148 . . . . 0.0 109.392 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -101.01 23.58 10.54 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.561 1.163 . . . . 0.0 109.354 179.947 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 50.3 33.68 7.79 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.523 1.139 . . . . 0.0 109.244 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 11.0 mmt85 -110.39 160.32 28.88 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.577 1.173 . . . . 0.0 110.312 179.93 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 139.44 24.17 Favored 'Trans proline' 0 C--N 1.358 1.074 0 O-C-N 124.547 1.814 . . . . 0.0 110.938 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -74.07 -21.63 59.85 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.48 1.112 . . . . 0.0 109.326 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 97.2 p -59.58 -26.33 65.33 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.513 1.133 . . . . 0.0 110.026 179.905 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 39.9 t -67.51 -20.41 26.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 O-C-N 124.468 1.105 . . . . 0.0 109.322 -179.906 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 35.0 m-85 -120.22 21.71 11.65 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.504 1.128 . . . . 0.0 110.961 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -129.43 107.04 9.19 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.426 1.079 . . . . 0.0 109.271 179.941 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 15.7 tptt -100.36 125.95 46.66 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.445 1.091 . . . . 0.0 109.303 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 2.1 tttt -85.38 16.74 3.51 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.432 1.083 . . . . 0.0 109.313 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 14.3 t70 -133.51 9.2 3.97 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.532 1.145 . . . . 0.0 109.249 -179.933 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 1.3 mmmt -148.37 159.74 38.38 Favored Pre-proline 0 C--N 1.324 -0.531 0 O-C-N 124.492 1.12 . . . . 0.0 109.343 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 141.98 27.39 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.474 1.776 . . . . 0.0 110.989 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 41.9 m -122.32 123.19 40.83 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.416 1.072 . . . . 0.0 110.322 -179.94 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 12.0 tp -102.02 127.68 48.79 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.573 1.171 . . . . 0.0 109.322 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 2.8 mt -108.69 148.7 12.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.474 1.109 . . . . 0.0 109.269 -179.93 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.479 ' HG3' ' CE2' ' A' ' 111' ' ' TRP . 0.6 OUTLIER -138.63 120.96 15.94 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.533 1.145 . . . . 0.0 109.275 -179.971 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . 0.563 ' HB3' ' CE1' ' A' ' 108' ' ' TYR . 55.9 m-85 -92.32 129.77 38.18 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.552 1.157 . . . . 0.0 110.989 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' TRP . . . . . 0.568 ' CH2' HD11 ' A' ' 43' ' ' LEU . 13.1 p-90 -137.26 171.94 13.74 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.529 1.143 . . . . 0.0 108.004 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -135.78 153.94 51.37 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.526 1.142 . . . . 0.0 109.34 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' SER . . . . . 0.502 ' OG ' ' CE3' ' A' ' 80' ' ' TRP . 31.0 t -80.73 -23.54 39.39 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.544 1.153 . . . . 0.0 109.938 -179.903 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 51.2 p-90 -83.76 -2.9 57.26 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.583 1.177 . . . . 0.0 108.022 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 46.2 t -100.75 108.73 55.16 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.556 1.16 . . . . 0.0 108.305 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.9 -37.47 2.09 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.42 1.748 . . . . 0.0 111.104 179.923 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 1.7 tm? -62.15 -29.69 70.52 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.543 1.152 . . . . 0.0 109.324 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . 0.413 ' O ' ' N ' ' A' ' 43' ' ' LEU . 4.3 m -78.61 -46.31 19.61 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.43 1.081 . . . . 0.0 108.291 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.499 HD11 ' CZ2' ' A' ' 80' ' ' TRP . 30.4 mt -51.61 -46.12 63.45 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.46 1.1 . . . . 0.0 109.335 179.913 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 24.0 p -63.49 -25.2 68.15 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.49 1.118 . . . . 0.0 110.049 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -88.9 -27.27 21.1 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.46 1.1 . . . . 0.0 110.246 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.568 HD11 ' CH2' ' A' ' 32' ' ' TRP . 0.1 OUTLIER -50.7 -44.95 58.14 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.44 1.088 . . . . 0.0 109.363 179.982 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -60.31 -50.61 65.74 Favored Glycine 0 CA--C 1.532 1.111 0 O-C-N 124.44 1.088 . . . . 0.0 110.991 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 4.9 tp-100 -61.05 -30.53 70.38 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.537 0.786 . . . . 0.0 110.3 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 23.8 m -65.79 -34.15 77.51 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.493 1.121 . . . . 0.0 110.494 179.928 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . 0.425 ' OE2' ' N ' ' A' ' 89' ' ' LEU . 58.8 tt0 -71.14 -31.39 67.67 Favored 'General case' 0 C--N 1.327 -0.413 0 O-C-N 124.466 1.104 . . . . 0.0 110.246 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 1.3 tttm -78.18 -31.97 49.88 Favored 'General case' 0 C--N 1.323 -0.554 0 O-C-N 124.589 1.181 . . . . 0.0 109.218 -179.893 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' TRP . . . . . 0.556 ' HB3' ' CE2' ' A' ' 55' ' ' PHE . 45.1 m0 -72.94 -28.09 62.23 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.577 1.173 . . . . 0.0 107.97 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -72.23 -9.01 57.9 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.471 1.107 . . . . 0.0 109.406 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 9.4 mt-30 -103.25 -14.62 16.27 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.496 1.122 . . . . 0.0 110.292 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . 0.403 ' OD1' ' N ' ' A' ' 55' ' ' PHE . 1.9 t70 -63.1 133.72 54.91 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.524 1.14 . . . . 0.0 109.278 179.931 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -60.59 -47.44 86.2 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.471 1.107 . . . . 0.0 109.275 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -50.82 -39.41 53.11 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.44 1.087 . . . . 0.0 109.307 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . 0.566 ' CE1' HD13 ' A' ' 60' ' ' LEU . 0.6 OUTLIER -76.56 -30.69 57.17 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.542 1.151 . . . . 0.0 110.968 -179.958 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 2.3 p -47.17 -39.33 13.55 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.526 1.141 . . . . 0.0 110.079 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -40.82 -56.36 2.22 Favored 'General case' 0 C--N 1.327 -0.413 0 O-C-N 124.489 1.118 . . . . 0.0 110.036 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -104.91 165.6 10.96 Favored 'General case' 0 C--N 1.323 -0.554 0 O-C-N 124.512 1.133 . . . . 0.0 109.264 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 1.4 m-20 -89.23 122.34 32.41 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.589 1.181 . . . . 0.0 109.23 -179.917 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.566 HD13 ' CE1' ' A' ' 55' ' ' PHE . 2.2 tt -108.07 126.02 52.25 Favored 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.55 1.156 . . . . 0.0 109.217 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -152.5 162.12 2.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 O-C-N 124.541 1.15 . . . . 0.0 109.295 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' THR . . . . . 0.441 ' HB ' ' CD1' ' A' ' 32' ' ' TRP . 34.5 p -116.83 150.27 38.65 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.441 1.088 . . . . 0.0 110.413 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 2.1 t -119.94 141.72 38.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.558 1.161 . . . . 0.0 109.319 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . 0.68 ' CB ' ' CZ ' ' A' ' 77' ' ' PHE . . . -134.63 132.53 39.08 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.474 1.109 . . . . 0.0 109.238 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 22.1 m -108.7 107.92 60.44 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.43 1.081 . . . . 0.0 110.044 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 136.84 20.99 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.505 1.792 . . . . 0.0 111.018 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 75.96 2.9 72.97 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.505 1.128 . . . . 0.0 111.053 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . 0.556 ' CE2' HD22 ' A' ' 69' ' ' LEU . 49.8 t80 -117.98 129.99 55.92 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.458 0.74 . . . . 0.0 111.017 179.942 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.556 HD22 ' CE2' ' A' ' 68' ' ' PHE . 1.0 OUTLIER 71.89 35.07 1.4 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 0.0 109.194 179.926 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 10.0 t60 71.07 6.58 5.9 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.461 1.1 . . . . 0.0 109.615 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . 0.424 ' HG3' ' N ' ' A' ' 72' ' ' LYS . 6.7 tp10 -61.87 151.66 33.98 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.534 1.146 . . . . 0.0 110.26 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . 0.424 ' N ' ' HG3' ' A' ' 71' ' ' GLU . 0.1 OUTLIER -63.0 140.61 58.89 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.503 1.127 . . . . 0.0 109.288 179.991 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.44 161.44 11.76 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.496 1.122 . . . . 0.0 109.317 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -51.65 146.39 7.83 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.513 1.133 . . . . 0.0 109.268 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 86.14 -42.76 3.18 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.542 1.151 . . . . 0.0 111.067 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -75.71 -30.56 59.33 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.501 0.765 . . . . 0.0 109.325 179.9 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 77' ' ' PHE . . . . . 0.68 ' CZ ' ' CB ' ' A' ' 64' ' ' ALA . 73.9 t80 -77.67 -56.68 4.32 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.563 1.164 . . . . 0.0 111.001 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 15.1 pt20 -53.31 -29.86 35.81 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.465 1.103 . . . . 0.0 110.285 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -64.91 -33.56 76.32 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.431 1.082 . . . . 0.0 109.347 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 80' ' ' TRP . . . . . 0.502 ' CE3' ' OG ' ' A' ' 34' ' ' SER . 1.9 t90 . . . . . 0 C--N 1.325 -0.479 0 N-CA-C 107.959 -1.126 . . . . 0.0 107.959 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 3.0 mttm . . . . . 0 N--CA 1.453 -0.317 0 N-CA-C 109.282 -0.636 . . . . 0.0 109.282 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . 0.425 ' N ' ' OE2' ' A' ' 47' ' ' GLU . 6.5 tp -85.16 119.3 72.3 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.416 1.073 . . . . 0.0 109.249 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 127.83 11.01 Favored 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.528 1.804 . . . . 0.0 111.035 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 3.0 t -147.29 118.31 1.52 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.534 1.146 . . . . 0.0 109.327 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . 0.429 ' O ' ' N ' ' A' ' 64' ' ' ALA . 75.4 t -105.4 135.84 41.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.528 1.142 . . . . 0.0 109.291 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 1.6 p -114.01 112.46 23.3 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.422 1.076 . . . . 0.0 110.33 -179.921 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 94' ' ' ASP . . . . . 0.429 ' HA ' ' CD1' ' A' ' 9' ' ' LEU . 22.3 t0 -114.76 110.93 20.46 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.514 1.134 . . . . 0.0 109.356 179.923 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 28.2 t-20 -60.13 120.74 10.31 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.5 1.125 . . . . 0.0 109.315 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 83.48 -11.8 54.28 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.543 1.152 . . . . 0.0 110.956 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 56.07 63.16 5.55 Favored Glycine 0 CA--C 1.53 1.01 0 N-CA-C 110.969 -0.853 . . . . 0.0 110.969 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 1.8 m -51.66 -49.35 62.5 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.439 0.729 . . . . 0.0 110.347 -179.942 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 4.3 mt -63.57 -41.87 94.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 O-C-N 124.551 1.157 . . . . 0.0 109.251 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 100' ' ' ALA . . . . . 0.433 ' O ' ' N ' ' A' ' 104' ' ' ASN . . . -63.35 -44.43 94.87 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.551 1.157 . . . . 0.0 109.282 -179.944 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 5.4 mt-30 -72.25 -38.07 68.97 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.546 1.154 . . . . 0.0 110.284 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 34.7 p -61.49 -30.55 70.68 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.508 1.13 . . . . 0.0 110.009 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 7.7 mt -103.36 -11.33 17.97 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.503 1.127 . . . . 0.0 109.337 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 104' ' ' ASN . . . . . 0.433 ' N ' ' O ' ' A' ' 100' ' ' ALA . 15.9 t-20 67.05 58.72 0.56 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.473 1.108 . . . . 0.0 109.293 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 105' ' ' ILE . . . . . 0.544 HD11 ' CZ ' ' A' ' 31' ' ' PHE . 35.4 mt -103.62 85.99 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.46 1.1 . . . . 0.0 109.293 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 85.0 p -105.31 26.14 9.77 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.563 1.164 . . . . 0.0 109.945 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 107' ' ' VAL . . . . . 0.428 ' O ' ' OG ' ' A' ' 110' ' ' SER . 1.4 p -140.35 132.83 32.79 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.561 0 O-C-N 124.58 1.175 . . . . 0.0 109.343 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 108' ' ' TYR . . . . . 0.563 ' CE1' ' HB3' ' A' ' 31' ' ' PHE . 21.9 m-85 -130.73 154.4 81.8 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.556 1.16 . . . . 0.0 111.027 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 109' ' ' PRO . . . . . 0.513 ' C ' ' HA ' ' A' ' 108' ' ' TYR . 18.5 Cg_endo -75.01 -178.6 23.96 Favored 'Cis proline' 0 C--N 1.36 1.181 0 C-N-CA 121.034 -2.486 . . . . 0.0 111.06 -0.037 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 110' ' ' SER . . . . . 0.428 ' OG ' ' O ' ' A' ' 107' ' ' VAL . 0.7 OUTLIER -157.77 164.25 37.26 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.349 1.03 . . . . 0.0 109.937 179.998 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 111' ' ' TRP . . . . . 0.479 ' CE2' ' HG3' ' A' ' 30' ' ' LYS . 71.7 m95 -137.82 137.51 38.24 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.544 1.153 . . . . 0.0 107.998 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -128.65 138.72 52.32 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.439 1.087 . . . . 0.0 109.258 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 20.7 tp -108.79 135.76 49.48 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.543 1.152 . . . . 0.0 109.328 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 114' ' ' ILE . . . . . 0.425 ' CD1' ' HA ' ' A' ' 120' ' ' VAL . 36.4 mm -121.72 122.11 66.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.603 1.189 . . . . 0.0 109.275 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 115' ' ' GLY . . . . . 0.438 ' N ' ' O ' ' A' ' 119' ' ' ASP . . . -49.6 168.96 0.2 Allowed Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.503 1.127 . . . . 0.0 110.968 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.3 -15.25 63.49 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.533 0.784 . . . . 0.0 109.325 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -81.43 -21.2 39.04 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.583 1.177 . . . . 0.0 109.315 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . 99.54 31.07 6.24 Favored Glycine 0 CA--C 1.529 0.941 0 O-C-N 124.568 1.168 . . . . 0.0 111.019 179.931 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 119' ' ' ASP . . . . . 0.438 ' O ' ' N ' ' A' ' 115' ' ' GLY . 3.1 p-10 -124.18 160.68 27.33 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.47 0.747 . . . . 0.0 109.251 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 120' ' ' VAL . . . . . 0.425 ' HA ' ' CD1' ' A' ' 114' ' ' ILE . 56.1 t -60.25 117.55 2.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.544 1.152 . . . . 0.0 109.332 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -97.34 -52.81 3.67 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.528 1.142 . . . . 0.0 110.354 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -149.05 157.46 43.42 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.587 1.179 . . . . 0.0 110.303 179.946 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 123' ' ' ILE . . . . . . . . . . . . . 1.1 tt -119.98 137.95 52.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.476 1.11 . . . . 0.0 109.291 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 72.3 t -135.4 131.1 51.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.549 1.156 . . . . 0.0 109.279 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -120.78 132.1 54.85 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.498 1.124 . . . . 0.0 109.26 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . 123.36 -147.18 16.63 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.484 1.115 . . . . 0.0 111.015 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -127.75 150.16 49.92 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.548 0.793 . . . . 0.0 110.118 179.953 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 128' ' ' ILE . . . . . 0.425 HG22 ' NE2' ' A' ' 132' ' ' GLN . 7.2 pt -131.74 162.55 39.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.448 1.093 . . . . 0.0 109.31 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 129' ' ' ASN . . . . . . . . . . . . . 2.0 p30 -107.01 166.81 10.34 Favored 'General case' 0 C--N 1.323 -0.552 0 O-C-N 124.506 1.129 . . . . 0.0 109.34 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 13.2 tt0 -52.5 -39.29 61.09 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.528 1.142 . . . . 0.0 110.216 -179.886 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -60.5 -50.05 75.09 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.443 1.089 . . . . 0.0 109.272 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 132' ' ' GLN . . . . . 0.425 ' NE2' HG22 ' A' ' 128' ' ' ILE . 26.9 mt-30 -51.01 -44.99 61.07 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.437 1.085 . . . . 0.0 110.317 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 133' ' ' ALA . . . . . 0.563 ' HB1' ' CZ ' ' A' ' 55' ' ' PHE . . . -53.47 -49.89 66.48 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.441 1.088 . . . . 0.0 109.286 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 11.0 mt . . . . . 0 C--N 1.326 -0.418 0 O-C-N 124.525 1.14 . . . . 0.0 109.375 179.996 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 14.9 mt . . . . . 0 N--CA 1.454 -0.247 0 N-CA-C 109.319 -0.623 . . . . 0.0 109.319 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 10.3 mttm -125.71 150.42 47.69 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.495 1.122 . . . . 0.0 109.307 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 16.9 p -77.44 179.97 6.14 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.55 1.156 . . . . 0.0 110.461 179.915 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -73.3 -5.15 37.68 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.519 1.137 . . . . 0.0 109.379 179.946 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -104.52 24.34 11.84 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.421 1.075 . . . . 0.0 109.24 -179.921 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER 48.96 41.6 19.16 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.482 1.114 . . . . 0.0 109.361 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -117.99 155.63 50.98 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.58 1.175 . . . . 0.0 110.277 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.07 135.69 19.28 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.461 1.769 . . . . 0.0 111.047 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . 0.495 ' O ' ' CD1' ' A' ' 20' ' ' TYR . . . -59.48 -26.95 65.68 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.549 1.155 . . . . 0.0 109.354 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' SER . . . . . 0.457 ' HA ' ' CB ' ' A' ' 21' ' ' LEU . 78.0 p -54.94 -24.98 26.41 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.511 1.132 . . . . 0.0 109.987 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 2.8 t -44.94 -42.09 2.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.47 1.106 . . . . 0.0 109.187 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' TYR . . . . . 0.495 ' CD1' ' O ' ' A' ' 17' ' ' ALA . 2.8 p90 -112.85 -12.06 13.36 Favored 'General case' 0 C--N 1.323 -0.547 0 O-C-N 124.523 1.139 . . . . 0.0 111.029 -179.946 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.457 ' CB ' ' HA ' ' A' ' 18' ' ' SER . 0.2 OUTLIER -76.24 118.43 18.95 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.535 1.147 . . . . 0.0 109.283 -179.929 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . 0.429 ' O ' ' N ' ' A' ' 24' ' ' ASP . 18.3 mttm -113.83 110.9 20.87 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.437 1.086 . . . . 0.0 109.294 -179.954 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.67 57.78 0.13 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.484 1.115 . . . . 0.0 109.261 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . 0.429 ' N ' ' O ' ' A' ' 22' ' ' LYS . 1.0 OUTLIER 167.59 38.39 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.541 1.151 . . . . 0.0 109.29 179.981 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 1.3 mtpt -166.22 161.26 12.54 Favored Pre-proline 0 C--N 1.324 -0.53 0 O-C-N 124.432 1.083 . . . . 0.0 109.291 -179.935 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 144.23 29.94 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.463 1.77 . . . . 0.0 111.026 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' THR . . . . . 0.447 ' OG1' ' ND2' ' A' ' 59' ' ' ASN . 89.3 m -126.11 133.95 51.49 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.483 1.114 . . . . 0.0 110.39 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 2.2 tp -115.52 134.66 54.86 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.471 1.107 . . . . 0.0 109.295 -179.944 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 5.3 mt -115.79 145.57 21.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.567 1.167 . . . . 0.0 109.307 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.531 ' HD3' ' CZ2' ' A' ' 111' ' ' TRP . 0.4 OUTLIER -136.57 111.03 8.53 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.485 1.116 . . . . 0.0 109.314 -179.93 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . 0.633 ' CE1' ' CD1' ' A' ' 105' ' ' ILE . 50.7 m-85 -86.51 132.24 33.97 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.54 1.15 . . . . 0.0 110.959 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' TRP . . . . . 0.577 ' CZ3' HD11 ' A' ' 43' ' ' LEU . 9.7 p-90 -136.75 170.2 16.48 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.496 1.123 . . . . 0.0 107.997 179.948 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -125.79 149.01 48.94 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.452 1.095 . . . . 0.0 109.282 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -78.38 -33.26 49.0 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.463 1.102 . . . . 0.0 109.974 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 19.8 p-90 -73.58 -6.55 47.29 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.501 1.126 . . . . 0.0 108.049 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 48.7 t -97.37 110.75 55.97 Favored Pre-proline 0 C--N 1.326 -0.437 0 O-C-N 124.52 1.138 . . . . 0.0 108.285 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -41.66 0.62 Allowed 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.497 1.788 . . . . 0.0 111.03 179.926 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 2.0 tm? -57.73 -33.17 68.16 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.457 1.098 . . . . 0.0 109.27 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 1.3 m -72.89 -51.42 18.72 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.471 1.107 . . . . 0.0 108.313 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.446 HD22 ' CZ2' ' A' ' 80' ' ' TRP . 0.6 OUTLIER -52.25 -35.06 48.86 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.525 1.141 . . . . 0.0 109.24 -179.995 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.7 m -73.41 -25.66 60.63 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.523 1.139 . . . . 0.0 109.959 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -84.04 -15.32 47.96 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.547 1.154 . . . . 0.0 110.296 -179.94 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.577 HD11 ' CZ3' ' A' ' 32' ' ' TRP . 60.3 mt -56.96 -55.02 40.0 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.552 1.157 . . . . 0.0 109.315 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -49.93 -50.27 33.2 Favored Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.485 1.116 . . . . 0.0 110.968 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 1.3 tt0 -63.35 -29.32 70.64 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.521 0.777 . . . . 0.0 110.341 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 51.8 m -72.85 -37.25 67.45 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.47 1.107 . . . . 0.0 110.384 179.948 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 27.6 tt0 -67.09 -28.66 68.36 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.496 1.123 . . . . 0.0 110.278 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 11.2 tttt -78.28 -29.22 47.84 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.482 1.113 . . . . 0.0 109.249 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' TRP . . . . . 0.483 ' HB3' ' CE2' ' A' ' 55' ' ' PHE . 45.0 m0 -75.56 -28.08 58.87 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.478 1.111 . . . . 0.0 108.031 -179.932 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -74.31 -9.24 58.4 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.125 . . . . 0.0 109.268 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 10.5 mm-40 -105.09 -12.78 15.98 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.461 1.101 . . . . 0.0 110.225 -179.942 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 2.7 t70 -69.25 128.47 36.7 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.487 1.117 . . . . 0.0 109.277 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -53.94 -48.36 70.32 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.47 1.106 . . . . 0.0 109.353 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -49.19 -40.62 34.04 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.458 1.099 . . . . 0.0 109.291 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . 0.7 ' CZ ' ' CB ' ' A' ' 133' ' ' ALA . 2.2 m-85 -76.59 -28.34 56.14 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.515 1.134 . . . . 0.0 111.065 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' SER . . . . . 0.4 ' O ' ' C ' ' A' ' 57' ' ' SER . 5.0 t -53.67 -40.19 65.71 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.475 1.11 . . . . 0.0 110.026 179.931 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' SER . . . . . 0.4 ' C ' ' O ' ' A' ' 56' ' ' SER . 0.3 OUTLIER -39.04 -37.1 0.34 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.502 1.126 . . . . 0.0 110.04 179.936 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -125.17 165.64 17.89 Favored 'General case' 0 C--N 1.327 -0.411 0 O-C-N 124.492 1.12 . . . . 0.0 109.219 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . 0.447 ' ND2' ' OG1' ' A' ' 27' ' ' THR . 0.3 OUTLIER -89.08 124.11 34.0 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.574 1.171 . . . . 0.0 109.235 -179.988 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.5 ' C ' ' CD2' ' A' ' 60' ' ' LEU . 2.9 tt -111.72 127.42 55.77 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.555 1.159 . . . . 0.0 109.251 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . 0.475 HD11 ' CZ ' ' A' ' 20' ' ' TYR . 5.8 pt -152.35 161.0 3.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.464 1.102 . . . . 0.0 109.291 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' THR . . . . . 0.408 ' HB ' ' CD1' ' A' ' 32' ' ' TRP . 32.5 p -113.26 155.58 24.84 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.509 1.131 . . . . 0.0 110.404 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 2.9 t -125.44 143.24 39.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.493 1.121 . . . . 0.0 109.317 179.917 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . 0.461 ' N ' ' O ' ' A' ' 92' ' ' VAL . . . -134.27 150.13 50.98 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.541 1.15 . . . . 0.0 109.306 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' SER . . . . . 0.47 ' CB ' ' HB3' ' A' ' 68' ' ' PHE . 2.9 m -121.68 108.83 34.81 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.529 1.143 . . . . 0.0 109.982 -179.946 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . 0.4 ' HD2' ' O ' ' A' ' 94' ' ' ASP . 18.4 Cg_endo -74.96 134.88 18.42 Favored 'Trans proline' 0 C--N 1.359 1.116 0 O-C-N 124.55 1.816 . . . . 0.0 110.989 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 62.89 15.74 55.83 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.512 1.133 . . . . 0.0 110.986 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . 0.5 ' CE1' ' HB2' ' A' ' 69' ' ' LEU . 2.9 t80 -123.66 131.65 53.66 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.481 0.754 . . . . 0.0 111.029 179.939 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.5 ' HB2' ' CE1' ' A' ' 68' ' ' PHE . 6.2 tp 67.79 48.84 0.99 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.464 1.103 . . . . 0.0 109.266 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 98.0 m-70 55.75 23.6 6.49 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.513 1.133 . . . . 0.0 109.641 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . 0.436 ' HG3' ' N ' ' A' ' 72' ' ' LYS . 5.5 tp10 -88.53 154.7 20.14 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.426 1.079 . . . . 0.0 110.302 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . 0.436 ' N ' ' HG3' ' A' ' 71' ' ' GLU . 0.2 OUTLIER -59.21 141.56 53.97 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.448 1.092 . . . . 0.0 109.311 179.97 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.36 162.28 17.95 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.554 1.159 . . . . 0.0 109.248 -179.915 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -56.08 161.84 2.2 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.512 1.133 . . . . 0.0 109.273 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 78.13 -52.13 3.65 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.53 1.144 . . . . 0.0 110.978 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -63.62 -52.16 62.08 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.544 0.79 . . . . 0.0 109.297 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 68.6 t80 -59.29 -26.97 65.43 Favored 'General case' 0 C--N 1.327 -0.403 0 O-C-N 124.343 1.027 . . . . 0.0 110.992 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 8.3 mt-30 -67.99 -34.88 77.38 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.512 1.133 . . . . 0.0 110.312 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 3.3 mtmt -73.03 -40.2 65.34 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.464 1.103 . . . . 0.0 109.26 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 80' ' ' TRP . . . . . 0.446 ' CZ2' HD22 ' A' ' 40' ' ' LEU . 1.2 t90 . . . . . 0 C--N 1.324 -0.509 0 O-C-N 124.565 1.166 . . . . 0.0 107.99 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.453 -0.277 0 N-CA-C 109.234 -0.654 . . . . 0.0 109.234 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . 0.421 ' CD1' ' HD2' ' A' ' 90' ' ' PRO . 4.7 tp -84.94 129.87 54.7 Favored Pre-proline 0 C--N 1.324 -0.531 0 O-C-N 124.533 1.146 . . . . 0.0 109.371 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 90' ' ' PRO . . . . . 0.421 ' HD2' ' CD1' ' A' ' 89' ' ' LEU . 18.5 Cg_endo -74.94 126.53 10.07 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.47 1.773 . . . . 0.0 111.019 -179.95 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 58.2 t -138.01 125.56 29.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.486 1.116 . . . . 0.0 109.35 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . 0.462 ' CG2' ' OH ' ' A' ' 20' ' ' TYR . 47.5 t -118.46 127.02 75.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.423 1.077 . . . . 0.0 109.373 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 3.4 p -106.59 117.53 34.29 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.511 1.132 . . . . 0.0 110.347 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 94' ' ' ASP . . . . . 0.4 ' O ' ' HD2' ' A' ' 66' ' ' PRO . 63.7 t0 -114.84 109.95 18.94 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.512 1.132 . . . . 0.0 109.334 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 19.1 t-20 -63.98 117.97 7.78 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.43 1.081 . . . . 0.0 109.297 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 88.6 -31.48 4.88 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.493 1.12 . . . . 0.0 111.011 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 77.17 81.41 0.6 Allowed Glycine 0 CA--C 1.531 1.032 0 N-CA-C 110.954 -0.858 . . . . 0.0 110.954 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 1.8 m -75.93 -38.94 57.11 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.491 0.759 . . . . 0.0 110.419 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 2.8 mp -77.54 -36.46 23.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.52 1.137 . . . . 0.0 109.253 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -63.23 -38.51 91.47 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.476 1.11 . . . . 0.0 109.32 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 101' ' ' GLN . . . . . 0.404 ' HG3' ' N ' ' A' ' 102' ' ' SER . 18.7 pt20 -80.35 -38.4 30.6 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.472 1.108 . . . . 0.0 110.245 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 102' ' ' SER . . . . . 0.404 ' N ' ' HG3' ' A' ' 101' ' ' GLN . 18.3 t -56.37 -41.49 76.28 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.469 1.105 . . . . 0.0 110.003 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . 0.449 HD11 ' CD1' ' A' ' 123' ' ' ILE . 5.5 mt -87.07 -19.4 28.65 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.515 1.134 . . . . 0.0 109.387 179.95 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 21.0 t30 68.28 53.41 0.6 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.476 1.11 . . . . 0.0 109.307 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 105' ' ' ILE . . . . . 0.633 ' CD1' ' CE1' ' A' ' 31' ' ' PHE . 68.3 mt -73.23 -100.43 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 O-C-N 124.515 1.134 . . . . 0.0 109.207 -179.942 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 106' ' ' SER . . . . . 0.535 ' CB ' ' O ' ' A' ' 105' ' ' ILE . 1.3 p 87.55 -18.89 0.26 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.519 1.137 . . . . 0.0 110.024 -179.896 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 5.0 m -110.36 131.78 60.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.124 . . . . 0.0 109.226 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 108' ' ' TYR . . . . . 0.557 ' CE1' ' HB3' ' A' ' 31' ' ' PHE . 20.9 m-85 -131.81 152.16 79.83 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.525 1.14 . . . . 0.0 111.033 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 109' ' ' PRO . . . . . 0.514 ' C ' ' HA ' ' A' ' 108' ' ' TYR . 18.5 Cg_endo -75.0 169.79 73.6 Favored 'Cis proline' 0 C--N 1.36 1.141 0 C-N-CA 121.015 -2.494 . . . . 0.0 111.008 0.002 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -144.84 163.05 35.25 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.509 1.131 . . . . 0.0 109.946 -179.923 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 111' ' ' TRP . . . . . 0.531 ' CZ2' ' HD3' ' A' ' 30' ' ' LYS . 33.4 m95 -134.92 138.37 44.03 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.533 1.146 . . . . 0.0 107.939 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -129.34 135.84 49.24 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.486 1.116 . . . . 0.0 109.295 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 50.4 tp -109.14 132.26 54.28 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.487 1.117 . . . . 0.0 109.33 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 35.0 mm -121.36 125.83 74.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.492 1.12 . . . . 0.0 109.284 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 115' ' ' GLY . . . . . 0.473 ' CA ' ' HG3' ' A' ' 121' ' ' GLN . . . -54.3 165.99 2.45 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.522 1.139 . . . . 0.0 110.949 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -67.14 -14.38 62.85 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.491 0.759 . . . . 0.0 109.333 179.944 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -83.29 -23.41 32.64 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.484 1.115 . . . . 0.0 109.34 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . 102.48 28.29 6.43 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.468 1.105 . . . . 0.0 111.06 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 5.6 p-10 -118.04 154.55 31.85 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.564 0.803 . . . . 0.0 109.298 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 81.2 t -60.87 115.73 1.61 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.437 1.086 . . . . 0.0 109.292 -179.901 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 121' ' ' GLN . . . . . 0.473 ' HG3' ' CA ' ' A' ' 115' ' ' GLY . 3.2 mt-30 -89.92 -60.3 1.97 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.506 1.129 . . . . 0.0 110.349 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -148.89 156.88 42.94 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.466 1.104 . . . . 0.0 110.275 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 123' ' ' ILE . . . . . 0.449 ' CD1' HD11 ' A' ' 103' ' ' LEU . 8.3 mm -121.76 134.74 64.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.503 1.127 . . . . 0.0 109.281 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 71.6 t -127.92 115.35 38.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.542 1.151 . . . . 0.0 109.273 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -95.32 137.02 34.95 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.511 1.132 . . . . 0.0 109.286 179.952 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . 109.1 -152.02 17.08 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.448 1.093 . . . . 0.0 111.027 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 1.3 m -118.81 159.02 24.49 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.503 0.766 . . . . 0.0 109.941 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 128' ' ' ILE . . . . . 0.415 ' CG2' ' NE2' ' A' ' 132' ' ' GLN . 3.4 pt -137.27 166.78 24.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.556 1.16 . . . . 0.0 109.366 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 129' ' ' ASN . . . . . . . . . . . . . 1.4 p-10 -107.5 167.89 9.62 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.496 1.123 . . . . 0.0 109.34 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 130' ' ' GLU . . . . . 0.423 ' HB2' ' CZ2' ' A' ' 49' ' ' TRP . 29.1 tt0 -51.58 -44.77 62.89 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.475 1.109 . . . . 0.0 110.399 179.928 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -55.28 -50.23 70.07 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.612 1.195 . . . . 0.0 109.32 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 132' ' ' GLN . . . . . 0.415 ' NE2' ' CG2' ' A' ' 128' ' ' ILE . 23.6 mt-30 -51.46 -44.23 62.33 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.514 1.134 . . . . 0.0 110.295 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 133' ' ' ALA . . . . . 0.7 ' CB ' ' CZ ' ' A' ' 55' ' ' PHE . . . -55.96 -46.13 78.7 Favored 'General case' 0 C--N 1.323 -0.547 0 O-C-N 124.476 1.11 . . . . 0.0 109.306 179.926 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 36.7 mt . . . . . 0 C--N 1.325 -0.496 0 O-C-N 124.4 1.062 . . . . 0.0 109.347 179.959 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . 0.42 HD13 ' CB ' ' A' ' 94' ' ' ASP . 1.9 mm? . . . . . 0 N--CA 1.454 -0.258 0 N-CA-C 109.278 -0.638 . . . . 0.0 109.278 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 10.9 mtmm -105.17 153.97 20.82 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.476 1.11 . . . . 0.0 109.347 179.909 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 41.3 p -81.53 176.79 9.38 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.496 1.122 . . . . 0.0 110.438 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -72.52 -14.28 61.61 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.489 1.118 . . . . 0.0 109.357 179.938 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 8.5 p-10 -99.87 27.22 5.61 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.423 1.077 . . . . 0.0 109.374 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER 47.32 64.7 1.48 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.616 1.197 . . . . 0.0 109.249 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 1.1 mtt-85 -139.35 150.05 62.72 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.462 1.101 . . . . 0.0 110.349 179.923 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . 0.477 ' O ' ' CG2' ' A' ' 19' ' ' VAL . 18.3 Cg_endo -75.06 128.97 11.86 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.521 1.801 . . . . 0.0 111.042 179.954 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -55.06 -22.91 17.59 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.523 1.14 . . . . 0.0 109.35 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -61.08 -19.51 61.51 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.542 1.151 . . . . 0.0 109.98 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . 0.477 ' CG2' ' O ' ' A' ' 16' ' ' PRO . 44.3 t -43.42 -43.52 1.52 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.522 1.139 . . . . 0.0 109.27 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' TYR . . . . . 0.54 ' CE2' HG22 ' A' ' 61' ' ' ILE . 8.3 p90 -111.35 -11.51 14.15 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.381 1.051 . . . . 0.0 111.016 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.498 ' O ' ' CB ' ' A' ' 22' ' ' LYS . 0.4 OUTLIER -89.34 107.03 18.83 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.509 1.13 . . . . 0.0 109.329 179.942 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . 0.498 ' CB ' ' O ' ' A' ' 21' ' ' LEU . 0.0 OUTLIER 163.35 -174.62 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.489 1.118 . . . . 0.0 109.222 -179.989 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER 67.88 24.84 7.97 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.514 1.134 . . . . 0.0 109.297 -179.938 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 58.7 m-20 44.05 39.11 2.59 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.555 1.16 . . . . 0.0 109.342 -179.937 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -104.69 161.14 23.71 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.362 1.038 . . . . 0.0 109.357 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 156.09 43.02 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.528 1.804 . . . . 0.0 111.026 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 81.3 m -133.25 139.63 47.05 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.404 1.065 . . . . 0.0 110.351 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 47.1 tp -120.09 136.19 54.67 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.431 1.082 . . . . 0.0 109.269 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . 0.469 HG22 ' CG2' ' A' ' 63' ' ' VAL . 2.5 mt -113.88 148.59 16.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.467 1.104 . . . . 0.0 109.266 -179.955 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 12.3 tttt -138.78 113.07 8.75 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.44 1.087 . . . . 0.0 109.339 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . 0.592 ' HB3' ' CE1' ' A' ' 108' ' ' TYR . 70.6 m-85 -87.4 131.36 34.33 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.485 1.115 . . . . 0.0 111.011 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' TRP . . . . . 0.594 ' CZ3' ' CD1' ' A' ' 43' ' ' LEU . 11.0 p-90 -136.78 170.14 16.58 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.526 1.141 . . . . 0.0 108.013 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -128.42 151.42 49.4 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.597 1.186 . . . . 0.0 109.349 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -79.71 -28.34 40.62 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.504 1.127 . . . . 0.0 110.006 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 45.5 p-90 -82.11 0.64 39.77 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 107.945 -1.132 . . . . 0.0 107.945 -179.889 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 47.4 t -100.41 108.94 55.35 Favored Pre-proline 0 C--N 1.324 -0.531 0 O-C-N 124.492 1.12 . . . . 0.0 108.255 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.0 -29.66 7.99 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.498 1.789 . . . . 0.0 110.962 179.934 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 1.5 tm? -68.25 -30.9 70.04 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.439 1.087 . . . . 0.0 109.284 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 1.3 m -78.33 -44.02 26.27 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.55 1.156 . . . . 0.0 108.298 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.421 ' HA ' ' CD1' ' A' ' 43' ' ' LEU . 4.4 mt -51.61 -42.94 62.35 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.525 1.141 . . . . 0.0 109.279 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 82.0 p -68.23 -26.09 65.53 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.539 1.149 . . . . 0.0 109.953 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . 0.404 ' O ' ' N ' ' A' ' 46' ' ' THR . 1.5 tt0 -84.49 -23.58 29.79 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.567 1.167 . . . . 0.0 110.271 -179.919 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.594 ' CD1' ' CZ3' ' A' ' 32' ' ' TRP . 76.4 mt -49.43 -54.77 15.83 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.49 1.118 . . . . 0.0 109.316 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -55.63 -51.17 56.67 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.564 1.165 . . . . 0.0 110.972 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 2.8 tp-100 -61.22 -33.78 74.05 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.486 0.757 . . . . 0.0 110.328 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' THR . . . . . 0.404 ' N ' ' O ' ' A' ' 42' ' ' GLU . 31.6 m -68.02 -35.11 77.74 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.53 1.144 . . . . 0.0 110.428 179.854 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . 0.499 ' HE2' ' N ' ' A' ' 89' ' ' LEU . 60.3 tt0 -67.57 -32.44 73.2 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.457 1.098 . . . . 0.0 110.289 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.9 -31.9 51.47 Favored 'General case' 0 C--N 1.323 -0.55 0 O-C-N 124.583 1.177 . . . . 0.0 109.288 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' TRP . . . . . 0.511 ' CE2' ' HB2' ' A' ' 130' ' ' GLU . 46.8 m0 -77.59 -28.58 51.69 Favored 'General case' 0 C--N 1.325 -0.5 0 N-CA-C 107.988 -1.115 . . . . 0.0 107.988 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -76.83 -17.35 59.05 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.482 1.114 . . . . 0.0 109.282 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -109.43 3.88 21.85 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.475 1.11 . . . . 0.0 110.325 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . 0.428 ' O ' ' N ' ' A' ' 56' ' ' SER . 0.9 OUTLIER -73.15 134.2 44.35 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.461 1.101 . . . . 0.0 109.244 -179.895 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -53.22 -52.01 60.3 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.535 1.147 . . . . 0.0 109.324 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . 0.467 ' HB3' ' CD2' ' A' ' 134' ' ' LEU . 0.6 OUTLIER -49.0 -43.8 40.64 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.506 1.129 . . . . 0.0 109.243 179.969 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . 0.578 ' CZ ' ' CD1' ' A' ' 60' ' ' LEU . 0.1 OUTLIER -77.11 -27.43 54.06 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.501 1.125 . . . . 0.0 111.029 -179.978 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' SER . . . . . 0.428 ' N ' ' O ' ' A' ' 52' ' ' ASP . 12.1 t -45.91 -35.67 4.78 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.457 1.098 . . . . 0.0 109.978 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -46.38 -61.78 1.65 Allowed 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.452 1.095 . . . . 0.0 110.044 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -97.29 165.91 11.8 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.446 1.091 . . . . 0.0 109.325 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 52.2 m-20 -88.79 130.31 35.39 Favored 'General case' 0 C--N 1.323 -0.547 0 O-C-N 124.565 1.166 . . . . 0.0 109.337 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.578 ' CD1' ' CZ ' ' A' ' 55' ' ' PHE . 5.7 tt -121.16 126.44 49.71 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.455 1.097 . . . . 0.0 109.332 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . 0.54 HG22 ' CE2' ' A' ' 20' ' ' TYR . 1.9 pp -150.6 161.26 3.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.454 1.096 . . . . 0.0 109.323 -179.957 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' THR . . . . . 0.419 ' HB ' ' CD1' ' A' ' 32' ' ' TRP . 38.8 p -110.15 156.66 20.31 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.562 1.164 . . . . 0.0 110.428 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . 0.469 ' CG2' HG22 ' A' ' 29' ' ' ILE . 2.6 t -127.14 142.16 44.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.51 1.131 . . . . 0.0 109.282 -179.948 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . 0.429 ' N ' ' O ' ' A' ' 92' ' ' VAL . . . -133.82 147.31 51.2 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.481 1.113 . . . . 0.0 109.307 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 57.5 p -121.24 108.45 36.08 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.548 1.155 . . . . 0.0 109.95 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.95 136.8 20.99 Favored 'Trans proline' 0 C--N 1.361 1.219 0 O-C-N 124.437 1.756 . . . . 0.0 110.98 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 68.72 11.03 62.08 Favored Glycine 0 CA--C 1.529 0.906 0 O-C-N 124.457 1.098 . . . . 0.0 111.049 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . 0.457 ' CD1' HD23 ' A' ' 69' ' ' LEU . 10.1 t80 -123.91 130.43 52.59 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.51 0.77 . . . . 0.0 110.947 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.457 HD23 ' CD1' ' A' ' 68' ' ' PHE . 2.7 mm? 69.08 48.39 0.69 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.51 1.131 . . . . 0.0 109.259 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 29.9 m-70 53.63 22.54 3.11 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.511 1.132 . . . . 0.0 109.621 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 5.5 tp10 -83.52 151.87 25.19 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.43 1.082 . . . . 0.0 110.356 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 5.0 mmtt -60.1 137.27 58.14 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.381 1.05 . . . . 0.0 109.37 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 4.4 mtmt -63.15 165.7 6.92 Favored 'General case' 0 C--N 1.323 -0.566 0 O-C-N 124.522 1.139 . . . . 0.0 109.328 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -54.06 161.25 1.29 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.559 1.162 . . . . 0.0 109.229 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 77.41 -53.03 3.51 Favored Glycine 0 CA--C 1.531 1.087 0 O-C-N 124.491 1.12 . . . . 0.0 110.979 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -61.55 -52.46 64.35 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.528 0.781 . . . . 0.0 109.359 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 59.5 t80 -59.25 -27.16 65.53 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.505 1.128 . . . . 0.0 110.966 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 6.3 mt-30 -69.97 -30.26 67.57 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.486 1.116 . . . . 0.0 110.309 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -81.45 -37.86 27.33 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.511 1.132 . . . . 0.0 109.293 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 80' ' ' TRP . . . . . . . . . . . . . 2.1 t90 . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.552 1.158 . . . . 0.0 108.078 179.945 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.453 -0.295 0 N-CA-C 109.334 -0.617 . . . . 0.0 109.334 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . 0.499 ' N ' ' HE2' ' A' ' 47' ' ' GLU . 4.5 tp -116.31 127.54 26.68 Favored Pre-proline 0 C--N 1.326 -0.442 0 O-C-N 124.533 1.145 . . . . 0.0 109.357 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.07 127.2 10.44 Favored 'Trans proline' 0 C--N 1.359 1.105 0 O-C-N 124.62 1.852 . . . . 0.0 110.939 -179.941 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 71.1 t -139.0 128.9 31.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.52 1.138 . . . . 0.0 109.368 179.938 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . 0.429 ' O ' ' N ' ' A' ' 64' ' ' ALA . 69.0 t -123.07 129.96 74.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.477 1.111 . . . . 0.0 109.288 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 4.7 p -113.42 117.46 31.79 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.446 1.091 . . . . 0.0 110.449 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 94' ' ' ASP . . . . . 0.42 ' CB ' HD13 ' A' ' 9' ' ' LEU . 61.4 t0 -114.81 111.49 21.31 Favored 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.473 1.108 . . . . 0.0 109.3 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 1.5 m120 -58.85 113.79 2.23 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.477 1.111 . . . . 0.0 109.321 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 87.41 -18.17 39.21 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.52 1.137 . . . . 0.0 111.032 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 63.31 67.31 2.12 Favored Glycine 0 CA--C 1.531 1.079 0 N-CA-C 111.011 -0.835 . . . . 0.0 111.011 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 98' ' ' THR . . . . . 0.455 ' O ' ' CB ' ' A' ' 102' ' ' SER . 2.4 m -56.3 -34.22 66.3 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.578 0.81 . . . . 0.0 110.442 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 3.3 mt -74.99 -35.48 35.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.541 1.151 . . . . 0.0 109.226 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -69.36 -40.2 77.64 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.532 1.145 . . . . 0.0 109.243 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 34.4 mt-30 -80.49 -35.86 34.14 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.508 1.13 . . . . 0.0 110.301 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 102' ' ' SER . . . . . 0.455 ' CB ' ' O ' ' A' ' 98' ' ' THR . 4.3 m -61.03 -47.11 87.95 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.541 1.151 . . . . 0.0 110.032 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . 0.457 ' HB3' ' CD1' ' A' ' 123' ' ' ILE . 10.4 mt -87.1 -6.69 58.59 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.502 1.126 . . . . 0.0 109.358 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 104' ' ' ASN . . . . . 0.41 ' O ' ' CG ' ' A' ' 104' ' ' ASN . 13.2 t-20 58.14 63.05 1.85 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.547 1.154 . . . . 0.0 109.332 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 105' ' ' ILE . . . . . 0.449 HG21 ' CG1' ' A' ' 107' ' ' VAL . 9.8 mt -95.63 -77.62 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.541 1.15 . . . . 0.0 109.272 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 1.6 p 53.77 26.01 5.64 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.536 1.147 . . . . 0.0 109.998 -179.928 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 107' ' ' VAL . . . . . 0.449 ' CG1' HG21 ' A' ' 105' ' ' ILE . 7.6 p -141.55 132.57 26.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.557 1.161 . . . . 0.0 109.282 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 108' ' ' TYR . . . . . 0.592 ' CE1' ' HB3' ' A' ' 31' ' ' PHE . 15.3 m-85 -131.54 152.71 80.93 Favored Pre-proline 0 C--N 1.326 -0.435 0 O-C-N 124.436 1.085 . . . . 0.0 110.949 -179.922 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 109' ' ' PRO . . . . . 0.508 ' C ' ' HA ' ' A' ' 108' ' ' TYR . 18.4 Cg_endo -75.04 166.99 81.8 Favored 'Cis proline' 0 C--N 1.359 1.105 0 C-N-CA 121.059 -2.475 . . . . 0.0 110.948 0.092 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 2.8 m -149.48 151.78 34.52 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.513 1.133 . . . . 0.0 110.009 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 111' ' ' TRP . . . . . . . . . . . . . 60.0 m95 -129.98 138.18 50.7 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.437 1.085 . . . . 0.0 108.073 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -134.53 137.65 44.0 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.573 1.171 . . . . 0.0 109.295 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 36.3 tp -108.46 139.19 43.55 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.422 1.076 . . . . 0.0 109.342 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 43.5 mm -121.12 118.84 57.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.516 1.135 . . . . 0.0 109.305 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -41.18 161.88 0.02 OUTLIER Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.48 1.113 . . . . 0.0 111.03 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 9.2 pttt -68.59 -10.61 57.0 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.537 0.787 . . . . 0.0 109.347 179.919 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -89.67 -21.71 22.62 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.504 1.127 . . . . 0.0 109.29 -179.899 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . 102.2 31.92 5.13 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.497 1.123 . . . . 0.0 110.997 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 2.1 p-10 -121.7 149.97 42.46 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.49 0.759 . . . . 0.0 109.304 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 29.5 t -55.73 116.96 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.442 1.089 . . . . 0.0 109.332 179.888 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -91.38 -61.99 1.53 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.546 1.154 . . . . 0.0 110.32 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 122' ' ' ARG . . . . . 0.408 ' CZ ' ' CB ' ' A' ' 122' ' ' ARG . 0.2 OUTLIER -158.33 155.06 28.11 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.493 1.121 . . . . 0.0 110.333 179.989 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 123' ' ' ILE . . . . . 0.457 ' CD1' ' HB3' ' A' ' 103' ' ' LEU . 2.9 tt -114.12 141.23 31.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.595 1.184 . . . . 0.0 109.328 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 85.6 t -125.41 124.9 67.99 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.555 0 O-C-N 124.509 1.131 . . . . 0.0 109.35 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 3.2 ptpt -105.58 118.0 35.46 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.46 1.1 . . . . 0.0 109.268 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . 131.54 -159.08 23.06 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.493 1.12 . . . . 0.0 110.98 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 1.8 m -117.5 162.78 17.42 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.473 0.749 . . . . 0.0 109.996 -179.916 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 128' ' ' ILE . . . . . . . . . . . . . 10.6 pt -139.01 163.21 27.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.578 1.174 . . . . 0.0 109.217 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 129' ' ' ASN . . . . . . . . . . . . . 1.1 p30 -107.71 167.78 9.72 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.464 1.102 . . . . 0.0 109.363 179.914 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 130' ' ' GLU . . . . . 0.511 ' HB2' ' CE2' ' A' ' 49' ' ' TRP . 0.7 OUTLIER -53.69 -31.78 49.21 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.515 1.134 . . . . 0.0 110.259 179.976 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -65.82 -51.6 57.57 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.55 1.156 . . . . 0.0 109.304 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -51.66 -42.46 62.12 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.5 1.125 . . . . 0.0 110.327 179.948 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 133' ' ' ALA . . . . . 0.562 ' HB1' ' CZ ' ' A' ' 55' ' ' PHE . . . -54.54 -45.86 73.51 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.559 1.162 . . . . 0.0 109.247 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 134' ' ' LEU . . . . . 0.467 ' CD2' ' HB3' ' A' ' 54' ' ' LYS . 8.2 mt . . . . . 0 C--N 1.324 -0.503 0 O-C-N 124.484 1.115 . . . . 0.0 109.324 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 3.7 mm? . . . . . 0 N--CA 1.454 -0.249 0 N-CA-C 109.284 -0.636 . . . . 0.0 109.284 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -100.31 150.48 22.53 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.547 1.155 . . . . 0.0 109.253 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 34.3 p -88.62 175.2 7.64 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.502 1.126 . . . . 0.0 110.379 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -57.69 -21.03 38.05 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.477 1.111 . . . . 0.0 109.288 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -89.47 15.72 8.81 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.472 1.108 . . . . 0.0 109.295 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 52.57 30.22 8.25 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.507 1.129 . . . . 0.0 109.317 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 6.8 mtp180 -102.23 156.15 35.59 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.476 1.11 . . . . 0.0 110.311 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.13 124.61 8.67 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.486 1.782 . . . . 0.0 110.99 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -46.16 -32.08 2.77 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.469 1.105 . . . . 0.0 109.339 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 24.8 p -51.21 -23.48 3.44 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.476 1.11 . . . . 0.0 109.949 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 20.1 t -64.26 -27.51 42.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.457 1.098 . . . . 0.0 109.361 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 14.8 m-85 -124.01 22.32 8.8 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.437 1.086 . . . . 0.0 110.998 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -120.5 110.92 17.05 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.479 1.112 . . . . 0.0 109.27 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -96.34 108.53 21.06 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.504 1.127 . . . . 0.0 109.319 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 9.9 mttt -72.38 53.59 0.3 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.492 1.12 . . . . 0.0 109.319 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 10.4 p-10 174.1 36.2 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.459 1.099 . . . . 0.0 109.32 -179.937 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -169.05 162.47 7.79 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.466 1.104 . . . . 0.0 109.306 -179.9 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 148.4 35.12 Favored 'Trans proline' 0 C--N 1.361 1.227 0 O-C-N 124.412 1.743 . . . . 0.0 111.038 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 39.7 m -130.17 125.4 34.93 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.513 1.133 . . . . 0.0 110.415 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.509 HD22 ' CE3' ' A' ' 111' ' ' TRP . 8.8 tp -105.84 127.9 53.41 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.506 1.129 . . . . 0.0 109.319 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 14.2 mt -110.78 148.7 13.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.588 1.18 . . . . 0.0 109.296 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.558 ' HB2' ' CE3' ' A' ' 111' ' ' TRP . 1.0 OUTLIER -138.92 113.24 8.81 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.417 1.073 . . . . 0.0 109.348 179.983 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . 0.699 ' CE1' ' CD1' ' A' ' 105' ' ' ILE . 59.1 m-85 -84.96 132.54 34.34 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.492 1.12 . . . . 0.0 111.062 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' TRP . . . . . 0.505 ' CD1' ' HB ' ' A' ' 62' ' ' THR . 4.8 p-90 -137.47 166.83 22.93 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 107.978 -1.119 . . . . 0.0 107.978 -179.878 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . 0.483 ' HB1' ' CE2' ' A' ' 35' ' ' TRP . . . -128.31 127.9 43.59 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.492 1.12 . . . . 0.0 109.284 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 5.2 m -54.11 -30.0 47.01 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.575 1.172 . . . . 0.0 110.004 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' TRP . . . . . 0.483 ' CE2' ' HB1' ' A' ' 33' ' ' ALA . 24.2 p-90 -76.69 -25.0 53.15 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.51 1.131 . . . . 0.0 108.022 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . 0.421 ' N ' ' O ' ' A' ' 33' ' ' ALA . 48.5 t -70.83 114.33 25.98 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.484 1.115 . . . . 0.0 108.305 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -42.37 0.52 Allowed 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.502 1.79 . . . . 0.0 110.972 -179.917 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 5.3 tt -57.47 -34.24 68.82 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.47 1.106 . . . . 0.0 109.352 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 41.8 m -74.39 -43.45 56.37 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.54 1.15 . . . . 0.0 108.28 -179.92 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 46.5 mt -51.18 -48.7 61.86 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.47 1.106 . . . . 0.0 109.312 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -69.19 -24.99 64.11 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.543 1.152 . . . . 0.0 110.075 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 2.4 tp10 -77.45 -26.33 51.39 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.569 1.168 . . . . 0.0 110.312 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.437 HD22 ' CE3' ' A' ' 32' ' ' TRP . 55.7 mt -44.18 -54.54 5.55 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.47 1.106 . . . . 0.0 109.287 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -51.32 -50.5 40.5 Favored Glycine 0 CA--C 1.531 1.057 0 O-C-N 124.481 1.113 . . . . 0.0 110.946 -179.936 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . 0.444 ' CG ' ' CE2' ' A' ' 49' ' ' TRP . 3.5 tt0 -61.06 -29.32 69.67 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.541 0.789 . . . . 0.0 110.265 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 97.7 m -75.85 -39.79 55.93 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.59 1.181 . . . . 0.0 110.413 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . 0.441 ' OE2' ' N ' ' A' ' 89' ' ' LEU . 4.9 tt0 -65.81 -35.08 79.69 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.459 1.1 . . . . 0.0 110.3 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . 0.412 ' O ' ' HG2' ' A' ' 51' ' ' GLN . 1.6 tttm -76.55 -56.61 4.46 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.444 1.09 . . . . 0.0 109.234 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' TRP . . . . . 0.453 ' HB3' ' CE2' ' A' ' 55' ' ' PHE . 46.9 m0 -54.97 -26.15 34.62 Favored 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.494 1.121 . . . . 0.0 108.04 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -68.96 -9.64 53.21 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.591 1.182 . . . . 0.0 109.294 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . 0.412 ' HG2' ' O ' ' A' ' 48' ' ' LYS . 1.6 pt20 -111.71 -9.84 14.1 Favored 'General case' 0 C--N 1.326 -0.414 0 O-C-N 124.509 1.13 . . . . 0.0 110.317 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . 0.431 ' OD1' ' N ' ' A' ' 55' ' ' PHE . 0.8 OUTLIER -58.68 123.66 17.11 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.535 1.147 . . . . 0.0 109.359 179.969 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . 0.443 ' O ' ' N ' ' A' ' 56' ' ' SER . . . -55.3 -50.9 68.36 Favored 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.499 1.124 . . . . 0.0 109.23 -179.939 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 1.2 mmtm -48.65 -33.9 10.79 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.464 1.103 . . . . 0.0 109.35 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . 0.453 ' CE2' ' HB3' ' A' ' 49' ' ' TRP . 0.1 OUTLIER -76.84 -28.04 55.33 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.526 1.141 . . . . 0.0 111.035 179.918 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' SER . . . . . 0.443 ' N ' ' O ' ' A' ' 53' ' ' ALA . 50.0 m -46.99 -40.84 15.25 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.509 1.13 . . . . 0.0 110.029 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' SER . . . . . 0.403 ' C ' ' O ' ' A' ' 56' ' ' SER . 0.3 OUTLIER -39.26 -33.29 0.14 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.482 1.114 . . . . 0.0 109.981 179.997 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . 0.4 ' O ' ' O ' ' A' ' 55' ' ' PHE . . . -132.35 164.63 26.04 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.534 1.146 . . . . 0.0 109.273 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 4.0 m-20 -89.6 122.37 32.68 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.536 1.147 . . . . 0.0 109.337 179.93 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.518 ' C ' ' CD2' ' A' ' 60' ' ' LEU . 1.8 tt -105.87 125.42 50.97 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.496 1.123 . . . . 0.0 109.326 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . 0.436 ' CG2' ' O ' ' A' ' 60' ' ' LEU . 0.9 OUTLIER -153.84 163.15 1.88 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.564 1.165 . . . . 0.0 109.305 179.977 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' THR . . . . . 0.505 ' HB ' ' CD1' ' A' ' 32' ' ' TRP . 30.4 p -115.57 154.7 28.93 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.525 1.141 . . . . 0.0 110.447 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 3.0 t -126.55 145.11 34.63 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 O-C-N 124.557 1.161 . . . . 0.0 109.411 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . 0.565 ' CB ' ' CZ ' ' A' ' 77' ' ' PHE . . . -133.94 149.77 51.28 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.418 1.074 . . . . 0.0 109.228 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' SER . . . . . 0.4 ' CB ' ' HB3' ' A' ' 68' ' ' PHE . 3.3 t -123.15 108.52 32.11 Favored Pre-proline 0 C--N 1.326 -0.435 0 O-C-N 124.397 1.06 . . . . 0.0 109.958 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . 0.406 ' HD2' ' O ' ' A' ' 94' ' ' ASP . 18.5 Cg_endo -75.03 135.6 19.23 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.585 1.834 . . . . 0.0 111.032 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 69.78 6.97 57.8 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.54 1.15 . . . . 0.0 110.945 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . 0.4 ' HB3' ' CB ' ' A' ' 65' ' ' SER . 39.8 t80 -125.09 128.81 49.05 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.483 0.755 . . . . 0.0 110.992 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.644 ' CD2' ' CE2' ' A' ' 108' ' ' TYR . 0.8 OUTLIER 77.08 21.44 1.11 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.511 1.132 . . . . 0.0 109.331 -179.955 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER 70.93 22.6 4.58 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.518 1.136 . . . . 0.0 109.549 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . 0.403 ' O ' ' C ' ' A' ' 72' ' ' LYS . 0.1 OUTLIER -85.9 145.02 27.35 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.432 1.083 . . . . 0.0 110.308 179.997 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . 0.403 ' C ' ' O ' ' A' ' 71' ' ' GLU . 1.0 OUTLIER -39.65 142.44 0.31 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.497 1.123 . . . . 0.0 109.212 -179.969 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 4.5 tttp -70.45 159.22 34.63 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.571 1.169 . . . . 0.0 109.292 179.939 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 10.3 t0 -50.51 142.13 11.19 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.472 1.108 . . . . 0.0 109.318 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 89.35 -40.14 3.08 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.481 1.113 . . . . 0.0 111.066 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -78.09 -33.36 50.72 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.48 0.753 . . . . 0.0 109.354 179.936 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 77' ' ' PHE . . . . . 0.565 ' CZ ' ' CB ' ' A' ' 64' ' ' ALA . 32.6 t80 -69.09 -58.05 4.6 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.543 1.152 . . . . 0.0 111.007 179.91 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -54.19 -34.44 60.53 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.498 1.124 . . . . 0.0 110.264 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 11.5 mttt -62.24 -43.13 99.52 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.552 1.157 . . . . 0.0 109.281 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 80' ' ' TRP . . . . . . . . . . . . . 1.3 t90 . . . . . 0 C--N 1.324 -0.531 0 O-C-N 124.521 1.138 . . . . 0.0 108.013 -179.935 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 22.8 tttp . . . . . 0 N--CA 1.453 -0.302 0 N-CA-C 109.259 -0.645 . . . . 0.0 109.259 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . 0.445 ' CD2' ' HD2' ' A' ' 90' ' ' PRO . 0.7 OUTLIER -71.29 122.41 87.0 Favored Pre-proline 0 C--N 1.324 -0.518 0 O-C-N 124.543 1.152 . . . . 0.0 109.263 -179.936 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 90' ' ' PRO . . . . . 0.445 ' HD2' ' CD2' ' A' ' 89' ' ' LEU . 17.9 Cg_endo -74.96 128.41 11.49 Favored 'Trans proline' 0 C--N 1.361 1.209 0 O-C-N 124.525 1.803 . . . . 0.0 110.938 -179.949 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 55.2 t -147.41 125.23 3.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.48 1.113 . . . . 0.0 109.308 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . 0.454 ' O ' ' N ' ' A' ' 64' ' ' ALA . 39.7 t -108.7 145.56 15.47 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.546 1.154 . . . . 0.0 109.32 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 93' ' ' THR . . . . . 0.498 ' CG2' ' CE1' ' A' ' 77' ' ' PHE . 2.2 p -123.19 114.27 20.05 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.428 1.08 . . . . 0.0 110.417 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 94' ' ' ASP . . . . . 0.406 ' O ' ' HD2' ' A' ' 66' ' ' PRO . 67.7 t0 -114.93 110.34 19.49 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.563 1.164 . . . . 0.0 109.304 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 17.7 t-20 -60.55 110.38 1.26 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.467 1.104 . . . . 0.0 109.288 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 90.07 -26.69 9.41 Favored Glycine 0 CA--C 1.529 0.933 0 O-C-N 124.569 1.168 . . . . 0.0 111.024 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 72.33 74.11 0.79 Allowed Glycine 0 CA--C 1.528 0.901 0 N-CA-C 110.988 -0.845 . . . . 0.0 110.988 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 98' ' ' THR . . . . . 0.492 ' O ' ' CB ' ' A' ' 102' ' ' SER . 1.4 m -62.2 -37.45 85.36 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.466 0.745 . . . . 0.0 110.315 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 3.7 mt -81.59 -39.01 16.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.524 1.14 . . . . 0.0 109.311 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -63.81 -47.68 79.87 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.47 1.107 . . . . 0.0 109.261 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 8.3 pt20 -72.94 -32.35 65.21 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.505 1.128 . . . . 0.0 110.28 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 102' ' ' SER . . . . . 0.492 ' CB ' ' O ' ' A' ' 98' ' ' THR . 10.7 t -68.37 -21.57 64.71 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.549 1.156 . . . . 0.0 109.997 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 17.1 mt -106.08 -8.29 17.56 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.448 1.093 . . . . 0.0 109.261 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 7.0 t-20 70.96 47.02 0.44 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.451 1.094 . . . . 0.0 109.31 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 105' ' ' ILE . . . . . 0.699 ' CD1' ' CE1' ' A' ' 31' ' ' PHE . 14.6 mt -85.61 116.79 29.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.409 1.068 . . . . 0.0 109.28 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 6.3 p -145.42 26.6 1.29 Allowed 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.553 1.158 . . . . 0.0 109.954 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 1.5 p -146.66 132.85 13.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.572 1.17 . . . . 0.0 109.229 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 108' ' ' TYR . . . . . 0.644 ' CE2' ' CD2' ' A' ' 69' ' ' LEU . 20.7 m-30 -130.57 153.37 81.44 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.515 1.135 . . . . 0.0 111.055 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 109' ' ' PRO . . . . . 0.502 ' C ' ' HA ' ' A' ' 108' ' ' TYR . 18.5 Cg_endo -74.89 162.71 92.25 Favored 'Cis proline' 0 C--N 1.359 1.096 0 C-N-CA 121.083 -2.465 . . . . 0.0 111.021 -0.039 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -136.03 163.22 30.81 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.52 1.138 . . . . 0.0 110.009 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 111' ' ' TRP . . . . . 0.558 ' CE3' ' HB2' ' A' ' 30' ' ' LYS . 85.7 m95 -139.86 141.89 36.6 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.505 1.128 . . . . 0.0 108.043 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -135.47 131.7 36.46 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.493 1.12 . . . . 0.0 109.258 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 26.4 tp -108.61 123.7 49.35 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.548 1.155 . . . . 0.0 109.248 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 30.1 mm -112.38 120.45 62.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.527 1.142 . . . . 0.0 109.358 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 115' ' ' GLY . . . . . 0.42 ' N ' ' O ' ' A' ' 119' ' ' ASP . . . -45.87 171.53 0.02 OUTLIER Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.514 1.134 . . . . 0.0 111.0 -179.945 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -79.3 0.84 27.18 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.515 0.773 . . . . 0.0 109.271 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -103.02 -1.2 29.66 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.453 1.095 . . . . 0.0 109.324 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . 81.69 34.43 25.02 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.425 1.078 . . . . 0.0 110.982 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 119' ' ' ASP . . . . . 0.42 ' O ' ' N ' ' A' ' 115' ' ' GLY . 3.5 p-10 -124.65 159.78 30.01 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.572 0.807 . . . . 0.0 109.258 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 42.6 t -65.94 117.5 6.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.491 1.119 . . . . 0.0 109.27 -179.943 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 13.9 tt0 -92.4 -62.29 1.43 Allowed 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.544 1.153 . . . . 0.0 110.259 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 7.6 ttp85 -150.0 158.41 44.14 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.455 1.097 . . . . 0.0 110.244 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 123' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -123.27 141.57 43.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.539 1.149 . . . . 0.0 109.317 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 96.4 t -134.75 120.03 30.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.556 1.16 . . . . 0.0 109.304 179.892 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 54.4 mttt -104.31 110.66 22.97 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.543 1.152 . . . . 0.0 109.301 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . 136.32 -164.1 25.1 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.54 1.15 . . . . 0.0 111.073 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -112.34 139.09 48.19 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.553 0.796 . . . . 0.0 109.959 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 128' ' ' ILE . . . . . . . . . . . . . 7.7 pt -116.86 162.77 14.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.535 1.147 . . . . 0.0 109.276 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 129' ' ' ASN . . . . . . . . . . . . . 1.3 p30 -108.63 166.66 10.63 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.485 1.116 . . . . 0.0 109.318 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 130' ' ' GLU . . . . . 0.411 ' HB2' ' CZ2' ' A' ' 49' ' ' TRP . 1.6 tt0 -46.89 -46.04 20.87 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.482 1.114 . . . . 0.0 110.254 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -52.25 -52.57 51.8 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.489 1.118 . . . . 0.0 109.29 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 1.3 mt-30 -51.07 -45.78 61.52 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.369 1.043 . . . . 0.0 110.308 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -54.08 -50.54 66.55 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.474 1.109 . . . . 0.0 109.284 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 10.9 mt . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.45 1.094 . . . . 0.0 109.388 179.927 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.453 -0.277 0 N-CA-C 109.275 -0.639 . . . . 0.0 109.275 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 14.4 mttt -106.21 154.48 20.66 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.483 1.115 . . . . 0.0 109.245 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 39.8 p -89.79 175.56 7.18 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.54 1.15 . . . . 0.0 110.451 179.916 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -61.16 -15.25 31.74 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.575 1.172 . . . . 0.0 109.318 179.928 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -95.6 22.9 6.58 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.423 1.077 . . . . 0.0 109.244 -179.929 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 48.68 30.09 2.43 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.505 1.128 . . . . 0.0 109.333 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 5.2 mtm180 -102.11 148.17 35.0 Favored Pre-proline 0 C--N 1.326 -0.44 0 O-C-N 124.34 1.025 . . . . 0.0 110.28 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 130.16 13.07 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.545 1.813 . . . . 0.0 111.005 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -57.27 -23.73 50.22 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.567 1.167 . . . . 0.0 109.265 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 30.2 t -56.13 -30.74 62.55 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.502 1.126 . . . . 0.0 110.011 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 97.6 t -57.03 -31.98 38.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.471 1.107 . . . . 0.0 109.302 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 15.5 m-85 -116.77 24.16 11.45 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.487 1.117 . . . . 0.0 111.052 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -125.21 116.36 21.87 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.542 1.151 . . . . 0.0 109.365 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -100.96 124.13 46.19 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.517 1.135 . . . . 0.0 109.295 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . 0.408 ' O ' ' CB ' ' A' ' 24' ' ' ASP . 21.8 mmtm -72.89 54.3 0.37 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.49 1.119 . . . . 0.0 109.298 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . 0.408 ' CB ' ' O ' ' A' ' 23' ' ' LYS . 1.2 p-10 162.54 39.7 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.512 1.132 . . . . 0.0 109.354 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 12.5 mmtm -153.27 151.43 25.78 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.583 1.177 . . . . 0.0 109.34 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.09 126.31 9.83 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.523 1.801 . . . . 0.0 110.985 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 64.0 m -109.32 139.41 44.3 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.464 1.103 . . . . 0.0 110.381 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 13.6 tp -123.65 127.79 48.73 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.445 1.091 . . . . 0.0 109.332 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 4.0 mt -108.33 149.97 11.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.548 1.155 . . . . 0.0 109.251 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.563 ' HB2' ' CE3' ' A' ' 111' ' ' TRP . 6.2 tptp -137.21 117.29 13.39 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.523 1.139 . . . . 0.0 109.297 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . 0.696 ' CZ ' ' CD1' ' A' ' 105' ' ' ILE . 65.8 m-85 -88.29 140.46 29.46 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.521 1.138 . . . . 0.0 110.966 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' TRP . . . . . 0.558 ' CZ3' HD13 ' A' ' 43' ' ' LEU . 28.3 p-90 -151.21 170.67 18.91 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.568 1.168 . . . . 0.0 108.013 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . 0.482 ' HB2' ' CE2' ' A' ' 35' ' ' TRP . . . -132.46 154.79 49.53 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.563 1.164 . . . . 0.0 109.308 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' SER . . . . . 0.445 ' HB3' ' CZ3' ' A' ' 80' ' ' TRP . 0.4 OUTLIER -78.57 -30.53 46.83 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.506 1.129 . . . . 0.0 109.989 -179.945 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' TRP . . . . . 0.482 ' CE2' ' HB2' ' A' ' 33' ' ' ALA . 10.4 p-90 -73.41 -6.77 48.4 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.496 1.123 . . . . 0.0 108.039 179.934 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 49.1 t -96.33 111.43 56.68 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.5 1.125 . . . . 0.0 108.289 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 -33.93 4.21 Favored 'Trans proline' 0 C--N 1.361 1.213 0 O-C-N 124.446 1.761 . . . . 0.0 111.0 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 1.5 tm? -63.53 -31.95 73.27 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.579 1.175 . . . . 0.0 109.271 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -78.52 -43.28 27.26 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.487 1.117 . . . . 0.0 108.372 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 16.5 mt -51.36 -47.91 62.66 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.571 1.17 . . . . 0.0 109.304 179.912 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 6.4 p -68.24 -24.94 64.96 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.482 1.114 . . . . 0.0 109.939 -179.927 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 21.3 tt0 -82.2 -23.8 35.25 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.498 1.124 . . . . 0.0 110.285 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.558 HD13 ' CZ3' ' A' ' 32' ' ' TRP . 79.7 mt -46.73 -54.48 9.61 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.449 1.093 . . . . 0.0 109.23 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -57.59 -51.18 59.41 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.46 1.1 . . . . 0.0 111.036 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . 0.48 ' HG2' ' CZ2' ' A' ' 49' ' ' TRP . 1.3 tt0 -54.78 -34.0 62.09 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.473 0.749 . . . . 0.0 110.26 -179.891 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 86.0 m -65.69 -42.58 91.06 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.513 1.133 . . . . 0.0 110.41 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 21.7 tt0 -59.3 -47.82 83.95 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.496 1.123 . . . . 0.0 110.302 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 3.5 ttmt -61.76 -32.49 72.74 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.466 1.104 . . . . 0.0 109.33 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' TRP . . . . . 0.48 ' CZ2' ' HG2' ' A' ' 45' ' ' GLN . 46.3 m0 -78.15 -31.26 49.68 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 107.975 -1.12 . . . . 0.0 107.975 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -79.12 -11.47 59.98 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.594 1.184 . . . . 0.0 109.199 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 1.2 pp0? -109.15 1.62 20.47 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.641 1.213 . . . . 0.0 110.343 179.939 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . 0.454 ' OD1' ' N ' ' A' ' 55' ' ' PHE . 3.0 t70 -76.0 134.16 40.21 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.494 1.121 . . . . 0.0 109.309 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -57.75 -53.82 53.83 Favored 'General case' 0 C--N 1.323 -0.55 0 O-C-N 124.49 1.119 . . . . 0.0 109.344 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 3.3 mmtm -46.77 -41.44 15.32 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.467 1.105 . . . . 0.0 109.321 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . 0.572 ' CZ ' HD12 ' A' ' 60' ' ' LEU . 0.1 OUTLIER -77.53 -27.36 51.62 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.34 1.025 . . . . 0.0 111.069 179.933 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' SER . . . . . 0.403 ' O ' ' C ' ' A' ' 57' ' ' SER . 12.0 t -45.8 -40.93 10.32 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.565 1.166 . . . . 0.0 109.941 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' SER . . . . . 0.403 ' C ' ' O ' ' A' ' 56' ' ' SER . 16.9 t -38.78 -61.85 0.68 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.486 1.116 . . . . 0.0 109.958 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -98.45 165.65 11.74 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.591 1.182 . . . . 0.0 109.35 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 11.8 m-20 -89.09 133.57 34.32 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.413 1.071 . . . . 0.0 109.24 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.572 HD12 ' CZ ' ' A' ' 55' ' ' PHE . 3.1 tt -125.79 126.39 44.46 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.491 1.119 . . . . 0.0 109.282 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . 0.412 ' N ' HD21 ' A' ' 60' ' ' LEU . 9.4 pt -151.92 162.3 2.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.472 1.107 . . . . 0.0 109.266 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 18.5 p -112.22 157.24 21.14 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.597 1.186 . . . . 0.0 110.398 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 2.4 t -129.82 144.82 36.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 O-C-N 124.552 1.158 . . . . 0.0 109.318 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . 0.668 ' CB ' ' CZ ' ' A' ' 77' ' ' PHE . . . -133.45 149.41 51.77 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.542 1.151 . . . . 0.0 109.261 -179.939 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' SER . . . . . 0.469 ' HB3' ' CB ' ' A' ' 68' ' ' PHE . 74.6 m -120.23 108.63 37.89 Favored Pre-proline 0 C--N 1.324 -0.518 0 O-C-N 124.593 1.183 . . . . 0.0 109.96 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.01 131.25 14.07 Favored 'Trans proline' 0 C--N 1.359 1.108 0 O-C-N 124.504 1.792 . . . . 0.0 110.965 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 74.66 7.41 79.75 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.467 1.104 . . . . 0.0 110.979 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . 0.554 ' CD2' HD13 ' A' ' 69' ' ' LEU . 2.4 t80 -108.64 133.52 52.63 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.406 0.709 . . . . 0.0 110.994 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.554 HD13 ' CD2' ' A' ' 68' ' ' PHE . 9.9 mp 57.27 45.32 20.49 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.569 1.168 . . . . 0.0 109.36 -179.919 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER 57.49 41.25 26.29 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.586 1.179 . . . . 0.0 109.575 179.916 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . 0.419 ' HG3' ' N ' ' A' ' 72' ' ' LYS . 4.2 tp10 -100.32 148.92 24.15 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.461 1.101 . . . . 0.0 110.332 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . 0.419 ' N ' ' HG3' ' A' ' 71' ' ' GLU . 19.0 mttt -50.95 133.03 27.36 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.506 1.129 . . . . 0.0 109.324 -179.949 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 2.3 ttmt -65.46 163.2 16.32 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.439 1.087 . . . . 0.0 109.325 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -50.79 149.4 3.42 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.474 1.109 . . . . 0.0 109.359 179.946 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 82.53 -50.45 4.35 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.487 1.117 . . . . 0.0 111.013 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -71.8 -31.02 66.15 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.499 0.764 . . . . 0.0 109.269 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 77' ' ' PHE . . . . . 0.668 ' CZ ' ' CB ' ' A' ' 64' ' ' ALA . 21.1 t80 -77.52 -57.04 4.04 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.442 1.089 . . . . 0.0 111.035 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 17.9 pt20 -50.75 -27.56 7.4 Favored 'General case' 0 C--N 1.327 -0.397 0 O-C-N 124.502 1.126 . . . . 0.0 110.278 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 8.8 mtmt -67.24 -43.28 82.35 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.49 1.119 . . . . 0.0 109.31 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 80' ' ' TRP . . . . . 0.445 ' CZ3' ' HB3' ' A' ' 34' ' ' SER . 3.0 t90 . . . . . 0 C--N 1.325 -0.499 0 O-C-N 124.542 1.151 . . . . 0.0 107.99 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 45.1 mttt . . . . . 0 N--CA 1.453 -0.299 0 N-CA-C 109.269 -0.641 . . . . 0.0 109.269 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . 0.436 ' CD1' ' HD2' ' A' ' 90' ' ' PRO . 0.1 OUTLIER -76.81 136.87 66.57 Favored Pre-proline 0 C--N 1.324 -0.543 0 O-C-N 124.539 1.149 . . . . 0.0 109.232 179.99 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 90' ' ' PRO . . . . . 0.436 ' HD2' ' CD1' ' A' ' 89' ' ' LEU . 18.1 Cg_endo -74.99 127.55 10.78 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.426 1.75 . . . . 0.0 110.973 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 17.2 t -143.38 119.78 5.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 O-C-N 124.514 1.134 . . . . 0.0 109.339 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . 0.437 ' O ' ' N ' ' A' ' 64' ' ' ALA . 61.6 t -109.23 138.15 37.93 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 O-C-N 124.577 1.173 . . . . 0.0 109.241 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 93' ' ' THR . . . . . 0.474 ' CG2' ' CE1' ' A' ' 77' ' ' PHE . 3.9 p -118.77 117.17 28.16 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.536 1.147 . . . . 0.0 110.396 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 60.6 t0 -114.76 111.63 21.55 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.5 1.125 . . . . 0.0 109.372 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 2.7 m120 -60.45 115.92 3.92 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.422 1.076 . . . . 0.0 109.297 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 87.8 -19.77 31.72 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.408 1.068 . . . . 0.0 110.991 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 64.31 71.76 0.81 Allowed Glycine 0 CA--C 1.53 0.989 0 N-CA-C 110.977 -0.849 . . . . 0.0 110.977 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 1.8 m -67.27 -35.36 79.35 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.478 0.752 . . . . 0.0 110.379 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 2.7 mp -74.21 -33.6 35.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.454 1.096 . . . . 0.0 109.292 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -71.45 -38.85 71.27 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.598 1.187 . . . . 0.0 109.316 -179.947 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 1.9 mt-30 -80.46 -35.16 35.29 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.446 1.091 . . . . 0.0 110.256 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 3.5 m -64.98 -37.55 88.04 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.445 1.09 . . . . 0.0 109.957 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . 0.419 ' HB3' ' CD1' ' A' ' 123' ' ' ILE . 44.4 mt -91.45 -2.43 57.26 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 0.0 109.277 -179.909 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 15.9 t-20 57.31 57.66 4.33 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.494 1.121 . . . . 0.0 109.326 -179.894 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 105' ' ' ILE . . . . . 0.696 ' CD1' ' CZ ' ' A' ' 31' ' ' PHE . 88.3 mt -89.58 -82.43 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.528 1.142 . . . . 0.0 109.233 -179.945 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 106' ' ' SER . . . . . 0.411 ' OG ' ' O ' ' A' ' 105' ' ' ILE . 12.6 p 53.9 26.13 5.94 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.551 1.157 . . . . 0.0 110.0 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 7.4 p -148.7 132.22 7.97 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 O-C-N 124.408 1.067 . . . . 0.0 109.289 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 108' ' ' TYR . . . . . 0.589 ' CE1' ' HB3' ' A' ' 31' ' ' PHE . 14.5 m-85 -131.34 152.44 80.54 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.497 1.123 . . . . 0.0 110.969 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 109' ' ' PRO . . . . . 0.499 ' C ' ' HA ' ' A' ' 108' ' ' TYR . 18.3 Cg_endo -74.96 165.06 86.92 Favored 'Cis proline' 0 C--N 1.36 1.176 0 C-N-CA 120.99 -2.504 . . . . 0.0 111.023 -0.077 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -145.18 160.86 40.79 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.589 1.181 . . . . 0.0 110.026 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 111' ' ' TRP . . . . . 0.563 ' CE3' ' HB2' ' A' ' 30' ' ' LYS . 91.2 m95 -134.82 139.88 45.42 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.497 1.123 . . . . 0.0 107.97 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -129.15 134.09 47.89 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.481 1.113 . . . . 0.0 109.313 179.881 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 28.0 tp -108.89 123.95 49.89 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.567 1.167 . . . . 0.0 109.27 179.919 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 114' ' ' ILE . . . . . 0.416 ' CD1' ' HA ' ' A' ' 120' ' ' VAL . 45.4 mm -112.19 125.39 69.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.428 1.08 . . . . 0.0 109.271 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -49.72 166.8 0.35 Allowed Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.525 1.141 . . . . 0.0 110.996 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -68.98 -11.68 60.96 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.43 0.724 . . . . 0.0 109.278 -179.95 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -86.56 -21.03 27.11 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.506 1.129 . . . . 0.0 109.333 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . 99.78 29.02 7.12 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.487 1.117 . . . . 0.0 110.971 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 1.6 p-10 -119.52 159.0 25.15 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.427 0.722 . . . . 0.0 109.236 -179.939 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 120' ' ' VAL . . . . . 0.416 ' HA ' ' CD1' ' A' ' 114' ' ' ILE . 55.6 t -58.49 116.02 1.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.533 1.146 . . . . 0.0 109.305 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 32.5 tt0 -92.89 -61.77 1.52 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.588 1.18 . . . . 0.0 110.294 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -156.33 153.16 28.57 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.532 1.145 . . . . 0.0 110.299 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 123' ' ' ILE . . . . . 0.419 ' CD1' ' HB3' ' A' ' 103' ' ' LEU . 1.8 tp -106.75 137.35 37.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.479 1.112 . . . . 0.0 109.264 -179.949 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 80.2 t -127.84 111.28 24.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.502 1.126 . . . . 0.0 109.329 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -98.77 127.0 44.56 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.521 1.138 . . . . 0.0 109.314 179.922 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . 129.01 -156.75 21.34 Favored Glycine 0 CA--C 1.529 0.913 0 O-C-N 124.487 1.117 . . . . 0.0 111.008 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -128.46 147.13 50.65 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.455 0.738 . . . . 0.0 110.014 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 128' ' ' ILE . . . . . . . . . . . . . 5.2 pt -127.47 162.38 33.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.482 1.114 . . . . 0.0 109.332 -179.922 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 129' ' ' ASN . . . . . . . . . . . . . 2.8 p30 -110.36 167.54 10.12 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.5 1.125 . . . . 0.0 109.32 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 7.0 tp10 -48.76 -43.48 37.85 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.513 1.133 . . . . 0.0 110.326 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -51.23 -55.59 17.33 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.509 1.131 . . . . 0.0 109.257 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 4.2 mt-30 -50.91 -47.34 60.86 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.455 1.097 . . . . 0.0 110.3 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -51.84 -46.83 64.53 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.418 1.074 . . . . 0.0 109.341 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 16.1 mt . . . . . 0 C--N 1.325 -0.5 0 O-C-N 124.59 1.181 . . . . 0.0 109.3 179.964 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . 0.448 HD12 ' CB ' ' A' ' 94' ' ' ASP . 4.0 mm? . . . . . 0 N--CA 1.454 -0.232 0 N-CA-C 109.317 -0.623 . . . . 0.0 109.317 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 6.6 mttt -112.95 140.54 47.68 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.466 1.104 . . . . 0.0 109.29 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' THR . . . . . 0.412 ' CB ' ' O ' ' A' ' 91' ' ' VAL . 20.9 p -78.37 178.13 7.93 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.578 1.173 . . . . 0.0 110.394 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -72.27 -5.86 39.01 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.545 1.153 . . . . 0.0 109.226 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . 0.407 ' OD2' ' N ' ' A' ' 13' ' ' ASP . 0.0 OUTLIER -102.66 23.72 11.6 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.522 1.139 . . . . 0.0 109.29 -179.997 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER 48.64 42.83 19.96 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.563 1.164 . . . . 0.0 109.322 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 5.6 mtt-85 -122.33 159.53 51.94 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.571 1.169 . . . . 0.0 110.273 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.84 132.26 15.44 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.484 1.781 . . . . 0.0 111.039 179.881 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -54.45 -27.43 37.3 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.498 1.124 . . . . 0.0 109.301 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' SER . . . . . 0.432 ' HA ' ' CB ' ' A' ' 21' ' ' LEU . 57.6 p -56.45 -26.59 54.28 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.454 1.096 . . . . 0.0 109.983 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 2.6 t -40.14 -47.8 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 O-C-N 124.557 1.16 . . . . 0.0 109.299 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' TYR . . . . . 0.505 ' CG ' HG22 ' A' ' 61' ' ' ILE . 17.6 p90 -104.16 -17.29 14.95 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.437 1.086 . . . . 0.0 110.978 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.432 ' CB ' ' HA ' ' A' ' 18' ' ' SER . 0.1 OUTLIER -75.79 119.79 20.28 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.451 1.094 . . . . 0.0 109.331 179.963 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . 0.415 ' O ' ' N ' ' A' ' 24' ' ' ASP . 5.6 mttm -124.59 110.42 14.4 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.564 1.165 . . . . 0.0 109.361 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 1.2 tttt -70.55 54.97 0.16 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.563 1.164 . . . . 0.0 109.294 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . 0.415 ' N ' ' O ' ' A' ' 22' ' ' LYS . 34.6 t70 -175.55 31.28 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.46 1.1 . . . . 0.0 109.317 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.486 ' CE ' ' OD1' ' A' ' 59' ' ' ASN . 0.1 OUTLIER -171.8 162.07 4.74 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.509 1.131 . . . . 0.0 109.267 -179.974 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.06 149.15 36.03 Favored 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.402 1.738 . . . . 0.0 110.997 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' THR . . . . . 0.435 ' OG1' ' ND2' ' A' ' 59' ' ' ASN . 54.6 m -133.26 132.65 41.67 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.437 1.086 . . . . 0.0 110.409 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.57 HD21 ' CE3' ' A' ' 111' ' ' TRP . 7.5 tp -112.8 129.43 56.44 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.47 1.106 . . . . 0.0 109.255 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 1.5 mp -110.24 150.82 12.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.466 1.104 . . . . 0.0 109.348 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.56 ' HE3' ' CH2' ' A' ' 111' ' ' TRP . 1.1 mppt? -139.05 117.0 11.63 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.594 1.184 . . . . 0.0 109.288 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . 0.581 ' HB3' ' CE1' ' A' ' 108' ' ' TYR . 71.1 m-85 -86.89 131.36 34.13 Favored 'General case' 0 C--N 1.323 -0.545 0 O-C-N 124.557 1.16 . . . . 0.0 111.075 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' TRP . . . . . 0.571 ' CH2' HD12 ' A' ' 43' ' ' LEU . 10.6 p-90 -139.51 167.91 21.03 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.473 1.108 . . . . 0.0 108.01 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -132.45 156.42 46.75 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.522 1.139 . . . . 0.0 109.236 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 32.5 t -80.16 -25.03 39.98 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.506 1.129 . . . . 0.0 109.98 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' TRP . . . . . 0.453 ' CD1' ' HG2' ' A' ' 71' ' ' GLU . 14.0 p-90 -84.97 -2.25 57.71 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 108.006 -1.109 . . . . 0.0 108.006 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 48.8 t -99.21 115.33 65.8 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.521 1.138 . . . . 0.0 108.254 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.04 -54.39 0.09 OUTLIER 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.472 1.775 . . . . 0.0 110.991 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 3.0 tt -48.11 -27.27 2.25 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.546 1.154 . . . . 0.0 109.325 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 6.3 m -78.63 -54.45 6.11 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.483 1.114 . . . . 0.0 108.345 179.938 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -51.92 -37.39 52.43 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.435 1.084 . . . . 0.0 109.33 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 2.9 p -72.76 -25.46 61.19 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.487 1.117 . . . . 0.0 109.981 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 2.3 tp10 -84.38 -17.94 37.73 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.55 1.156 . . . . 0.0 110.321 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.571 HD12 ' CH2' ' A' ' 32' ' ' TRP . 20.4 mt -55.3 -55.06 35.76 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.532 1.145 . . . . 0.0 109.311 -179.905 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -53.14 -52.56 39.37 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.464 1.103 . . . . 0.0 111.03 179.911 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . 0.562 ' HG2' ' CZ2' ' A' ' 49' ' ' TRP . 1.0 OUTLIER -61.74 -35.28 77.64 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.473 0.749 . . . . 0.0 110.232 179.999 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 91.0 m -70.73 -39.21 73.48 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.583 1.177 . . . . 0.0 110.336 -179.926 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 9.9 tt0 -58.64 -38.82 78.92 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.464 1.103 . . . . 0.0 110.287 -179.907 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 14.1 ttpt -78.48 -31.48 47.83 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.52 1.137 . . . . 0.0 109.324 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' TRP . . . . . 0.562 ' CZ2' ' HG2' ' A' ' 45' ' ' GLN . 40.7 m0 -63.17 -29.01 70.45 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.571 1.17 . . . . 0.0 108.042 179.943 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -75.23 -11.43 60.07 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.394 1.059 . . . . 0.0 109.278 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 1.8 mm-40 -95.42 -12.24 26.28 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.536 1.148 . . . . 0.0 110.243 -179.925 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 48.4 t0 -70.87 130.2 41.02 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.466 1.103 . . . . 0.0 109.285 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -60.27 -43.62 96.04 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.543 1.152 . . . . 0.0 109.31 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 10.2 mttt -50.0 -38.55 37.87 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.539 1.149 . . . . 0.0 109.257 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . 0.566 ' CZ ' ' HB2' ' A' ' 133' ' ' ALA . 0.2 OUTLIER -76.7 -27.89 55.67 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.567 1.167 . . . . 0.0 110.94 179.979 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' SER . . . . . 0.414 ' O ' ' C ' ' A' ' 57' ' ' SER . 13.6 p -47.39 -36.93 10.39 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.581 1.176 . . . . 0.0 109.923 -179.958 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' SER . . . . . 0.414 ' C ' ' O ' ' A' ' 56' ' ' SER . 0.5 OUTLIER -38.58 -57.1 1.21 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.503 1.127 . . . . 0.0 109.979 -179.971 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -110.11 165.94 11.35 Favored 'General case' 0 C--N 1.323 -0.554 0 O-C-N 124.604 1.19 . . . . 0.0 109.244 -179.945 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . 0.486 ' OD1' ' CE ' ' A' ' 25' ' ' LYS . 2.3 m-20 -88.4 120.89 30.2 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.512 1.133 . . . . 0.0 109.33 179.926 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.548 HD11 ' CE1' ' A' ' 55' ' ' PHE . 0.8 OUTLIER -104.25 127.22 51.85 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.49 1.119 . . . . 0.0 109.385 179.951 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . 0.505 HG22 ' CG ' ' A' ' 20' ' ' TYR . 0.2 OUTLIER -152.95 160.27 3.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.478 1.111 . . . . 0.0 109.248 -179.939 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' THR . . . . . 0.514 ' HB ' ' CD1' ' A' ' 32' ' ' TRP . 25.7 p -109.43 154.57 22.42 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.517 1.136 . . . . 0.0 110.288 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 2.6 t -126.52 139.06 52.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.548 1.155 . . . . 0.0 109.303 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -134.71 134.41 41.02 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.442 1.089 . . . . 0.0 109.389 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' SER . . . . . 0.443 ' CB ' ' HB3' ' A' ' 68' ' ' PHE . 5.8 m -108.06 107.46 60.26 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.493 1.121 . . . . 0.0 109.995 -179.874 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 137.65 21.97 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.518 1.799 . . . . 0.0 110.958 -179.928 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 66.85 8.23 47.1 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.391 1.057 . . . . 0.0 110.996 179.945 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . 0.543 ' CE2' HD21 ' A' ' 69' ' ' LEU . 53.6 t80 -123.58 131.94 53.75 Favored 'General case' 0 C--N 1.327 -0.401 0 O-C-N 124.454 0.738 . . . . 0.0 110.965 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.543 HD21 ' CE2' ' A' ' 68' ' ' PHE . 0.3 OUTLIER 75.89 29.5 0.8 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.417 1.073 . . . . 0.0 109.255 179.923 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER 61.59 22.8 13.21 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.51 1.131 . . . . 0.0 109.62 -179.938 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . 0.453 ' HG2' ' CD1' ' A' ' 35' ' ' TRP . 0.0 OUTLIER -88.96 155.93 19.2 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.55 1.156 . . . . 0.0 110.309 179.95 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 48.9 mmtt -41.62 135.81 2.05 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.513 1.133 . . . . 0.0 109.314 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 1.4 tttt -75.54 164.57 26.21 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.481 1.113 . . . . 0.0 109.231 -179.929 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -51.49 146.2 7.68 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.549 1.156 . . . . 0.0 109.297 179.938 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 84.48 -44.91 3.41 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.543 1.152 . . . . 0.0 110.998 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -68.28 -55.7 11.22 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.469 0.746 . . . . 0.0 109.41 179.92 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 57.0 t80 -56.45 -26.98 55.48 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.509 1.131 . . . . 0.0 110.972 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 7.6 mt-30 -74.09 -29.73 62.0 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.529 1.143 . . . . 0.0 110.266 -179.942 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.97 -32.69 57.45 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.547 1.155 . . . . 0.0 109.363 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 80' ' ' TRP . . . . . . . . . . . . . 2.0 t90 . . . . . 0 C--N 1.325 -0.464 0 O-C-N 124.502 1.126 . . . . 0.0 108.025 179.958 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 48.2 mmtt . . . . . 0 N--CA 1.454 -0.247 0 N-CA-C 109.303 -0.629 . . . . 0.0 109.303 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 8.8 tp -127.4 120.57 22.17 Favored Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.388 1.055 . . . . 0.0 109.276 179.935 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 90' ' ' PRO . . . . . 0.426 ' HG2' ' HA ' ' A' ' 61' ' ' ILE . 18.2 Cg_endo -75.09 127.43 10.61 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.543 1.812 . . . . 0.0 111.035 179.918 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . 0.412 ' O ' ' CB ' ' A' ' 11' ' ' THR . 73.1 t -135.84 124.66 38.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.485 1.116 . . . . 0.0 109.296 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 45.6 t -121.85 131.76 72.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.492 1.12 . . . . 0.0 109.248 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 2.9 p -117.17 117.88 30.8 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.531 1.145 . . . . 0.0 110.434 179.941 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 94' ' ' ASP . . . . . 0.448 ' CB ' HD12 ' A' ' 9' ' ' LEU . 60.0 t0 -114.86 111.23 20.89 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.56 1.162 . . . . 0.0 109.329 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 32.5 t-20 -60.68 120.89 10.93 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.586 1.178 . . . . 0.0 109.266 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 86.68 -16.65 44.69 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.536 1.147 . . . . 0.0 110.981 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 63.82 60.6 7.1 Favored Glycine 0 CA--C 1.53 1.002 0 N-CA-C 111.001 -0.84 . . . . 0.0 111.001 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 1.9 m -56.74 -42.42 79.24 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.512 0.772 . . . . 0.0 110.414 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 3.1 mt -69.43 -37.07 74.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.46 1.1 . . . . 0.0 109.317 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -68.09 -38.29 82.18 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.525 1.141 . . . . 0.0 109.288 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 6.1 mt-30 -80.58 -36.44 32.89 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.514 1.134 . . . . 0.0 110.319 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -60.53 -41.53 94.61 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.538 1.149 . . . . 0.0 109.949 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 18.5 mt -85.11 -20.07 30.9 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.555 1.159 . . . . 0.0 109.281 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 104' ' ' ASN . . . . . 0.438 ' ND2' ' O ' ' A' ' 104' ' ' ASN . 8.2 t30 67.37 53.24 0.76 Allowed 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.562 1.164 . . . . 0.0 109.305 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 105' ' ' ILE . . . . . 0.556 ' CD1' ' CE1' ' A' ' 31' ' ' PHE . 3.7 mt -87.24 -75.91 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.462 1.101 . . . . 0.0 109.258 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 1.2 m 58.98 26.63 15.28 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.547 1.155 . . . . 0.0 110.029 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 2.4 p -147.65 131.74 9.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.507 1.129 . . . . 0.0 109.292 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 108' ' ' TYR . . . . . 0.581 ' CE1' ' HB3' ' A' ' 31' ' ' PHE . 14.6 m-85 -131.55 151.87 79.44 Favored Pre-proline 0 C--N 1.324 -0.528 0 O-C-N 124.521 1.138 . . . . 0.0 110.98 -179.923 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 109' ' ' PRO . . . . . 0.504 ' C ' ' HA ' ' A' ' 108' ' ' TYR . 18.2 Cg_endo -75.05 171.33 68.68 Favored 'Cis proline' 0 C--N 1.362 1.24 0 C-N-CA 120.954 -2.519 . . . . 0.0 111.013 0.077 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -153.18 160.34 42.82 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.49 1.119 . . . . 0.0 109.96 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 111' ' ' TRP . . . . . 0.57 ' CE3' HD21 ' A' ' 28' ' ' LEU . 17.8 m95 -131.35 139.42 49.51 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 108.018 -1.104 . . . . 0.0 108.018 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -136.26 129.65 31.84 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.441 1.088 . . . . 0.0 109.286 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 113' ' ' LEU . . . . . 0.41 ' HB2' ' CD1' ' A' ' 28' ' ' LEU . 12.0 tp -110.24 134.06 52.61 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.504 1.128 . . . . 0.0 109.334 179.942 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 4.9 mm -118.29 121.81 68.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.552 1.157 . . . . 0.0 109.305 -179.939 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -47.51 167.77 0.1 OUTLIER Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.478 1.111 . . . . 0.0 110.961 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.17 -5.41 39.06 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.432 0.725 . . . . 0.0 109.324 179.953 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -93.98 -19.82 20.55 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.423 1.077 . . . . 0.0 109.254 -179.937 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . 99.27 27.68 8.04 Favored Glycine 0 CA--C 1.532 1.11 0 O-C-N 124.486 1.117 . . . . 0.0 110.995 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 3.8 p-10 -119.6 151.47 38.61 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.585 0.814 . . . . 0.0 109.301 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 42.6 t -52.79 116.4 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.535 1.147 . . . . 0.0 109.255 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 3.1 mm-40 -89.83 -61.43 1.69 Allowed 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.496 1.122 . . . . 0.0 110.353 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -158.34 140.02 13.69 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.444 1.09 . . . . 0.0 110.372 179.906 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 123' ' ' ILE . . . . . . . . . . . . . 15.0 tt -106.55 140.65 23.97 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.471 1.107 . . . . 0.0 109.303 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 3.8 t -129.52 133.11 65.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.505 1.128 . . . . 0.0 109.255 -179.933 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -109.26 116.58 32.16 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.488 1.118 . . . . 0.0 109.255 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . 119.27 164.62 12.8 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.555 1.159 . . . . 0.0 111.005 179.938 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -82.11 162.54 22.47 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.56 0.8 . . . . 0.0 109.912 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 128' ' ' ILE . . . . . 0.55 HG12 ' CE2' ' A' ' 111' ' ' TRP . 28.7 pt -139.37 168.25 18.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.469 1.106 . . . . 0.0 109.266 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 129' ' ' ASN . . . . . . . . . . . . . 3.8 p30 -106.19 169.22 8.63 Favored 'General case' 0 C--N 1.327 -0.406 0 O-C-N 124.53 1.144 . . . . 0.0 109.293 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 32.0 tt0 -50.4 -40.72 50.74 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.494 1.121 . . . . 0.0 110.219 -179.919 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -57.13 -51.72 68.16 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.52 1.137 . . . . 0.0 109.244 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 132' ' ' GLN . . . . . 0.461 ' CB ' ' HB ' ' A' ' 128' ' ' ILE . 0.0 OUTLIER -50.93 -45.87 60.68 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.489 1.118 . . . . 0.0 110.314 179.958 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 133' ' ' ALA . . . . . 0.566 ' HB2' ' CZ ' ' A' ' 55' ' ' PHE . . . -55.37 -48.1 74.79 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.503 1.127 . . . . 0.0 109.231 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 16.1 mt . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.549 1.156 . . . . 0.0 109.267 -179.965 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . 0.42 HD13 ' CB ' ' A' ' 94' ' ' ASP . 3.9 mm? . . . . . 0 N--CA 1.451 -0.4 0 N-CA-C 109.342 -0.614 . . . . 0.0 109.342 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 24.1 mttt -110.93 156.83 20.63 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.471 1.107 . . . . 0.0 109.253 -179.917 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 7.1 p -86.98 170.77 11.29 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.422 1.076 . . . . 0.0 110.41 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -60.04 -16.33 30.32 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.451 1.094 . . . . 0.0 109.257 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -93.22 21.03 6.31 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.499 1.124 . . . . 0.0 109.245 -179.932 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 51.71 31.71 8.38 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.529 1.143 . . . . 0.0 109.189 179.936 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -103.93 148.51 35.98 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.456 1.098 . . . . 0.0 110.236 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 133.7 16.88 Favored 'Trans proline' 0 C--N 1.361 1.205 0 O-C-N 124.39 1.732 . . . . 0.0 111.009 179.931 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -66.29 -13.81 61.04 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.477 1.111 . . . . 0.0 109.308 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' SER . . . . . 0.468 ' HA ' ' CD2' ' A' ' 21' ' ' LEU . 7.3 t -70.95 -18.72 62.62 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.507 1.129 . . . . 0.0 109.952 -179.904 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . 0.459 HG13 ' CE1' ' A' ' 20' ' ' TYR . 42.7 t -56.5 -32.85 37.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.522 1.139 . . . . 0.0 109.274 179.922 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' TYR . . . . . 0.459 ' CE1' HG13 ' A' ' 19' ' ' VAL . 42.7 m-85 -120.85 25.78 9.48 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.429 1.08 . . . . 0.0 111.007 -179.953 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.468 ' CD2' ' HA ' ' A' ' 18' ' ' SER . 0.2 OUTLIER -58.6 109.67 0.84 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.415 1.072 . . . . 0.0 109.215 -179.9 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . 0.54 ' CG ' ' O ' ' A' ' 25' ' ' LYS . 0.0 OUTLIER -51.48 92.8 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.456 1.098 . . . . 0.0 109.355 179.951 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . 0.504 ' O ' ' CB ' ' A' ' 24' ' ' ASP . 1.6 mttt -66.57 70.15 0.07 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.496 1.123 . . . . 0.0 109.289 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . 0.504 ' CB ' ' O ' ' A' ' 23' ' ' LYS . 1.5 t70 82.51 38.69 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.441 1.088 . . . . 0.0 109.197 179.894 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.54 ' O ' ' CG ' ' A' ' 22' ' ' LYS . 4.1 mtpt -131.55 162.47 55.96 Favored Pre-proline 0 C--N 1.324 -0.532 0 O-C-N 124.581 1.176 . . . . 0.0 109.269 179.954 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 129.7 12.57 Favored 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.462 1.77 . . . . 0.0 111.023 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 24.0 m -112.32 141.41 46.07 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.478 1.111 . . . . 0.0 110.405 -179.934 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 33.1 tp -125.92 126.23 44.05 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.44 1.088 . . . . 0.0 109.326 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 9.2 mm -107.9 149.38 11.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.513 1.133 . . . . 0.0 109.34 179.943 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.566 ' HB2' ' CE3' ' A' ' 111' ' ' TRP . 0.4 OUTLIER -139.05 118.93 13.24 Favored 'General case' 0 C--N 1.326 -0.414 0 O-C-N 124.478 1.111 . . . . 0.0 109.274 -179.947 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . 0.563 ' HB3' ' CE1' ' A' ' 108' ' ' TYR . 45.4 m-85 -92.42 134.23 35.14 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.513 1.133 . . . . 0.0 111.102 179.885 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' TRP . . . . . 0.559 ' CZ3' HD11 ' A' ' 43' ' ' LEU . 9.0 p-90 -143.49 166.62 24.28 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.529 1.143 . . . . 0.0 108.031 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -130.13 153.86 48.08 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.537 1.148 . . . . 0.0 109.26 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 5.7 m -71.52 -33.4 69.15 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.423 1.077 . . . . 0.0 110.023 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 25.1 p-90 -71.87 -12.2 61.16 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 107.957 -1.127 . . . . 0.0 107.957 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 46.6 t -88.46 113.83 57.06 Favored Pre-proline 0 C--N 1.324 -0.514 0 O-C-N 124.511 1.132 . . . . 0.0 108.33 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.08 -51.76 0.11 Allowed 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.503 1.791 . . . . 0.0 111.028 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -49.68 -32.66 13.77 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.575 1.172 . . . . 0.0 109.305 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 1.8 m -74.97 -49.02 21.41 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.559 1.162 . . . . 0.0 108.343 179.946 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 6.1 mt -51.46 -42.89 61.92 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.634 1.209 . . . . 0.0 109.339 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.1 p -76.16 -25.46 55.28 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.538 1.149 . . . . 0.0 110.087 179.914 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 16.1 tt0 -81.27 -11.38 59.38 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.514 1.134 . . . . 0.0 110.316 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.559 HD11 ' CZ3' ' A' ' 32' ' ' TRP . 15.6 mt -55.92 -53.35 57.84 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.514 1.134 . . . . 0.0 109.282 -179.924 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -55.07 -45.99 79.73 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.484 1.115 . . . . 0.0 110.983 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -61.64 -33.51 74.07 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.519 0.776 . . . . 0.0 110.367 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 50.2 m -69.1 -36.75 77.89 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.469 1.106 . . . . 0.0 110.407 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . 0.423 ' HE2' ' N ' ' A' ' 89' ' ' LEU . 21.4 tt0 -68.45 -42.3 79.01 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.503 1.127 . . . . 0.0 110.228 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 7.8 tttp -64.57 -33.37 75.77 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.461 1.101 . . . . 0.0 109.322 -179.915 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' TRP . . . . . 0.503 ' CE3' ' CZ ' ' A' ' 55' ' ' PHE . 28.3 m0 -70.86 -34.3 71.5 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 107.976 -1.12 . . . . 0.0 107.976 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -77.45 -11.74 59.88 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.539 1.149 . . . . 0.0 109.337 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 1.6 mt-30 -101.72 -12.54 18.29 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.574 1.171 . . . . 0.0 110.365 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 53.3 t0 -73.1 130.11 39.57 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.561 1.163 . . . . 0.0 109.308 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -62.1 -34.64 76.71 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.572 1.17 . . . . 0.0 109.272 -179.944 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.09 -39.91 79.77 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.458 1.099 . . . . 0.0 109.317 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . 0.503 ' CZ ' ' CE3' ' A' ' 49' ' ' TRP . 1.6 m-85 -75.81 -27.37 57.91 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.535 1.147 . . . . 0.0 111.045 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' SER . . . . . 0.402 ' O ' ' C ' ' A' ' 57' ' ' SER . 0.2 OUTLIER -45.78 -43.03 12.78 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.541 1.151 . . . . 0.0 110.1 179.931 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' SER . . . . . 0.402 ' C ' ' O ' ' A' ' 56' ' ' SER . 2.7 m -38.9 -32.85 0.09 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.487 1.117 . . . . 0.0 109.92 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . 0.402 ' O ' ' O ' ' A' ' 55' ' ' PHE . . . -130.71 165.71 22.31 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.496 1.122 . . . . 0.0 109.347 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . 0.452 ' ND2' ' O ' ' A' ' 20' ' ' TYR . 3.1 m-20 -89.11 133.75 34.26 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.441 1.088 . . . . 0.0 109.33 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.473 ' C ' ' CD2' ' A' ' 60' ' ' LEU . 3.3 tt -124.87 125.76 44.47 Favored 'General case' 0 C--N 1.323 -0.568 0 O-C-N 124.584 1.178 . . . . 0.0 109.298 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . 0.435 ' CG2' ' O ' ' A' ' 60' ' ' LEU . 26.2 pt -153.75 160.35 2.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.462 1.101 . . . . 0.0 109.318 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' THR . . . . . 0.405 ' OG1' ' HA ' ' A' ' 91' ' ' VAL . 17.8 p -109.93 157.15 19.55 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.519 1.137 . . . . 0.0 110.455 179.935 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 2.8 t -128.37 144.24 38.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.522 1.139 . . . . 0.0 109.338 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . 0.653 ' CB ' ' CZ ' ' A' ' 77' ' ' PHE . . . -134.07 141.45 47.18 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.526 1.141 . . . . 0.0 109.276 179.924 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' SER . . . . . 0.409 ' CB ' ' HB3' ' A' ' 68' ' ' PHE . 77.6 p -117.95 108.74 42.06 Favored Pre-proline 0 C--N 1.326 -0.443 0 O-C-N 124.534 1.146 . . . . 0.0 109.923 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.0 137.84 22.25 Favored 'Trans proline' 0 C--N 1.361 1.209 0 O-C-N 124.448 1.762 . . . . 0.0 111.012 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 68.16 10.87 60.33 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.478 1.111 . . . . 0.0 111.077 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . 0.409 ' HB3' ' CB ' ' A' ' 65' ' ' SER . 47.9 t80 -122.39 124.94 44.82 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.608 0.828 . . . . 0.0 111.052 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER 76.23 33.71 0.54 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.43 1.081 . . . . 0.0 109.292 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 28.0 m170 65.73 12.75 8.52 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.418 1.074 . . . . 0.0 109.598 179.908 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . 0.4 ' O ' ' O ' ' A' ' 72' ' ' LYS . 14.9 tp10 -75.96 151.22 37.31 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.493 1.12 . . . . 0.0 110.29 -179.938 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . 0.4 ' O ' ' O ' ' A' ' 71' ' ' GLU . 9.1 mmtm -43.52 165.25 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.493 1.12 . . . . 0.0 109.313 179.922 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -96.53 155.44 16.77 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.5 1.125 . . . . 0.0 109.275 179.941 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -46.9 144.73 2.31 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.468 1.105 . . . . 0.0 109.32 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 87.54 -50.11 3.98 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.456 1.097 . . . . 0.0 111.051 -179.942 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -72.27 -32.0 66.26 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.552 0.795 . . . . 0.0 109.324 179.946 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 77' ' ' PHE . . . . . 0.653 ' CZ ' ' CB ' ' A' ' 64' ' ' ALA . 42.3 t80 -76.26 -57.25 3.98 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.486 1.116 . . . . 0.0 110.975 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 17.8 pt20 -50.97 -28.8 10.65 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.528 1.142 . . . . 0.0 110.282 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 2.2 mttt -74.45 -39.7 62.38 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.51 1.131 . . . . 0.0 109.295 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 80' ' ' TRP . . . . . . . . . . . . . 2.4 t90 . . . . . 0 C--N 1.324 -0.502 0 O-C-N 124.499 1.124 . . . . 0.0 107.97 179.999 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.355 0 N-CA-C 109.334 -0.617 . . . . 0.0 109.334 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . 0.471 ' CD1' ' HD2' ' A' ' 90' ' ' PRO . 0.1 OUTLIER -99.1 135.73 20.73 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.535 1.147 . . . . 0.0 109.288 -179.939 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 90' ' ' PRO . . . . . 0.471 ' HD2' ' CD1' ' A' ' 89' ' ' LEU . 18.1 Cg_endo -75.1 126.86 10.18 Favored 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.41 1.742 . . . . 0.0 110.929 -179.94 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . 0.405 ' HA ' ' OG1' ' A' ' 62' ' ' THR . 13.9 t -141.69 118.39 7.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.52 1.138 . . . . 0.0 109.302 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . 0.45 ' O ' ' N ' ' A' ' 64' ' ' ALA . 44.8 t -111.58 137.82 42.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.557 1.16 . . . . 0.0 109.317 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 93' ' ' THR . . . . . 0.519 HG21 ' CD1' ' A' ' 77' ' ' PHE . 5.7 p -117.53 119.17 34.21 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.5 1.125 . . . . 0.0 110.406 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 94' ' ' ASP . . . . . 0.42 ' CB ' HD13 ' A' ' 9' ' ' LEU . 62.7 t0 -114.77 111.02 20.6 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.481 1.113 . . . . 0.0 109.286 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 5.6 m120 -60.94 115.94 4.09 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.602 1.189 . . . . 0.0 109.237 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 87.0 -18.44 35.78 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.423 1.077 . . . . 0.0 110.954 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 97' ' ' GLY . . . . . 0.415 ' O ' ' N ' ' A' ' 101' ' ' GLN . . . 64.44 71.61 0.83 Allowed Glycine 0 CA--C 1.53 1.004 0 N-CA-C 110.955 -0.858 . . . . 0.0 110.955 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 1.4 m -62.04 -51.87 66.26 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.49 0.759 . . . . 0.0 110.353 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 2.7 mp -64.43 -33.39 62.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.463 1.102 . . . . 0.0 109.316 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -74.29 -34.11 63.43 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.424 1.077 . . . . 0.0 109.32 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 101' ' ' GLN . . . . . 0.415 ' N ' ' O ' ' A' ' 97' ' ' GLY . 0.0 OUTLIER -80.1 -40.19 28.03 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.5 1.125 . . . . 0.0 110.345 179.947 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -60.59 -31.3 70.46 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.511 1.132 . . . . 0.0 110.008 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . 0.472 ' HB3' ' CD1' ' A' ' 123' ' ' ILE . 20.3 mt -98.66 -11.42 22.05 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.552 1.158 . . . . 0.0 109.309 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 51.1 t30 62.93 58.02 1.57 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.51 1.131 . . . . 0.0 109.297 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 105' ' ' ILE . . . . . 0.492 HD11 ' CZ ' ' A' ' 31' ' ' PHE . 4.5 mt -100.04 104.9 16.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.482 1.114 . . . . 0.0 109.37 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -121.6 24.2 9.91 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.483 1.115 . . . . 0.0 109.966 -179.881 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 2.0 p -135.4 132.61 52.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.422 1.076 . . . . 0.0 109.273 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 108' ' ' TYR . . . . . 0.563 ' CE1' ' HB3' ' A' ' 31' ' ' PHE . 20.7 m-85 -130.61 152.31 80.2 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.505 1.128 . . . . 0.0 111.052 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 109' ' ' PRO . . . . . 0.512 ' C ' ' HA ' ' A' ' 108' ' ' TYR . 18.4 Cg_endo -74.98 161.25 95.23 Favored 'Cis proline' 0 C--N 1.359 1.112 0 C-N-CA 120.978 -2.509 . . . . 0.0 110.957 0.002 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -133.88 158.05 44.4 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.459 1.099 . . . . 0.0 110.037 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 111' ' ' TRP . . . . . 0.566 ' CE3' ' HB2' ' A' ' 30' ' ' LYS . 94.5 m95 -132.43 140.6 48.5 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.572 1.17 . . . . 0.0 108.055 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -126.21 135.46 51.64 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.531 1.145 . . . . 0.0 109.251 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 113' ' ' LEU . . . . . 0.41 ' CD2' ' HG2' ' A' ' 121' ' ' GLN . 20.0 tp -109.18 130.45 55.49 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.545 1.153 . . . . 0.0 109.324 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 7.4 mm -122.63 113.97 40.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.453 1.096 . . . . 0.0 109.309 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 115' ' ' GLY . . . . . 0.432 ' N ' ' O ' ' A' ' 119' ' ' ASP . . . -41.82 164.35 0.02 OUTLIER Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.518 1.136 . . . . 0.0 111.02 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -67.5 -26.59 66.42 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.526 0.78 . . . . 0.0 109.34 179.949 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -71.68 -9.63 58.56 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.467 1.104 . . . . 0.0 109.254 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . 86.52 35.83 10.14 Favored Glycine 0 CA--C 1.529 0.945 0 O-C-N 124.539 1.149 . . . . 0.0 110.994 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 119' ' ' ASP . . . . . 0.432 ' O ' ' N ' ' A' ' 115' ' ' GLY . 1.9 p30 -127.65 148.26 50.38 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.547 0.792 . . . . 0.0 109.385 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 92.7 t -50.08 118.98 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 O-C-N 124.444 1.09 . . . . 0.0 109.239 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 121' ' ' GLN . . . . . 0.42 ' HB2' ' N ' ' A' ' 115' ' ' GLY . 0.7 OUTLIER -93.14 -62.26 1.41 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.567 1.167 . . . . 0.0 110.372 179.866 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -158.33 158.27 34.02 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.457 1.098 . . . . 0.0 110.323 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 123' ' ' ILE . . . . . 0.472 ' CD1' ' HB3' ' A' ' 103' ' ' LEU . 5.3 tt -110.65 134.37 53.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.507 1.129 . . . . 0.0 109.262 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 79.6 t -123.91 115.93 46.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.484 1.115 . . . . 0.0 109.259 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 21.8 mtmt -107.05 114.73 28.98 Favored 'General case' 0 C--N 1.327 -0.412 0 O-C-N 124.541 1.151 . . . . 0.0 109.318 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . 141.56 -154.07 24.48 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.539 1.149 . . . . 0.0 110.939 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -123.39 144.36 49.53 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.527 0.78 . . . . 0.0 109.987 -179.945 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 128' ' ' ILE . . . . . . . . . . . . . 12.7 pt -129.18 162.2 37.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.463 1.102 . . . . 0.0 109.278 -179.933 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 129' ' ' ASN . . . . . . . . . . . . . 2.2 p30 -110.29 168.42 9.46 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.484 1.115 . . . . 0.0 109.358 179.887 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 130' ' ' GLU . . . . . 0.502 ' N ' ' CZ2' ' A' ' 49' ' ' TRP . 20.1 tt0 -57.59 -22.93 48.03 Favored 'General case' 0 C--N 1.327 -0.406 0 O-C-N 124.473 1.108 . . . . 0.0 110.353 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -68.87 -54.16 17.22 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.545 1.153 . . . . 0.0 109.284 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 4.6 mt-30 -50.67 -48.62 58.36 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.485 1.115 . . . . 0.0 110.288 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -50.2 -52.66 33.87 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.476 1.11 . . . . 0.0 109.324 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 3.6 mt . . . . . 0 C--N 1.326 -0.425 0 O-C-N 124.471 1.107 . . . . 0.0 109.364 179.992 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . 0.433 HD11 ' CB ' ' A' ' 94' ' ' ASP . 3.9 mm? . . . . . 0 N--CA 1.453 -0.311 0 N-CA-C 109.22 -0.659 . . . . 0.0 109.22 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -122.54 142.55 50.49 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.48 1.113 . . . . 0.0 109.249 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 76.6 p -84.57 168.26 15.54 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.406 1.066 . . . . 0.0 110.465 179.939 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -56.49 -18.76 12.53 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.521 1.138 . . . . 0.0 109.276 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -91.92 13.35 18.8 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.399 1.062 . . . . 0.0 109.314 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 58.83 27.87 16.68 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.533 1.146 . . . . 0.0 109.234 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -98.25 155.85 36.47 Favored Pre-proline 0 C--N 1.326 -0.444 0 O-C-N 124.543 1.152 . . . . 0.0 110.304 179.92 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . 0.5 ' O ' ' CG2' ' A' ' 19' ' ' VAL . 18.1 Cg_endo -75.09 127.22 10.45 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.554 1.818 . . . . 0.0 111.005 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -47.55 -28.01 2.07 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 0.0 109.262 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -55.75 -18.95 9.47 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.554 1.159 . . . . 0.0 110.004 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . 0.5 ' CG2' ' O ' ' A' ' 16' ' ' PRO . 3.6 m -48.33 -45.24 13.54 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.396 1.06 . . . . 0.0 109.269 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 11.8 m-85 -112.53 24.32 12.62 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.577 1.173 . . . . 0.0 110.958 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.511 ' O ' ' CB ' ' A' ' 22' ' ' LYS . 0.2 OUTLIER -134.64 102.66 5.36 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.434 1.084 . . . . 0.0 109.318 179.996 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . 0.511 ' CB ' ' O ' ' A' ' 21' ' ' LEU . 0.1 OUTLIER 163.39 -171.64 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.512 1.133 . . . . 0.0 109.309 179.946 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 66.88 25.73 9.44 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.437 1.086 . . . . 0.0 109.353 -179.936 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 43.16 36.54 1.01 Allowed 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.466 1.104 . . . . 0.0 109.302 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 1.9 mttt -105.96 162.19 20.47 Favored Pre-proline 0 C--N 1.324 -0.519 0 O-C-N 124.471 1.107 . . . . 0.0 109.244 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 145.49 31.43 Favored 'Trans proline' 0 C--N 1.361 1.205 0 O-C-N 124.378 1.725 . . . . 0.0 110.979 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 20.3 m -117.18 142.47 46.99 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.456 1.098 . . . . 0.0 110.364 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 10.9 tp -124.34 127.69 47.98 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.506 1.128 . . . . 0.0 109.366 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . 0.451 ' CG2' ' HB ' ' A' ' 63' ' ' VAL . 2.0 mt -108.94 149.83 11.97 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.543 1.152 . . . . 0.0 109.304 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.448 ' HG3' ' CZ2' ' A' ' 111' ' ' TRP . 2.6 tmtt? -138.77 110.73 7.24 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.456 1.097 . . . . 0.0 109.265 -179.955 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . 0.573 ' HB3' ' CE1' ' A' ' 108' ' ' TYR . 55.3 m-85 -82.49 126.01 31.75 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.465 1.103 . . . . 0.0 110.982 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' TRP . . . . . 0.544 ' CD1' ' HB ' ' A' ' 62' ' ' THR . 5.1 p-90 -130.21 167.48 18.35 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.564 1.165 . . . . 0.0 107.917 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . 0.553 ' CB ' ' CE2' ' A' ' 35' ' ' TRP . . . -136.49 126.77 26.47 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.467 1.104 . . . . 0.0 109.254 179.945 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -54.46 -27.39 37.14 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.464 1.102 . . . . 0.0 110.061 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' TRP . . . . . 0.553 ' CE2' ' CB ' ' A' ' 33' ' ' ALA . 21.9 p-90 -77.37 -23.8 50.73 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 107.979 -1.119 . . . . 0.0 107.979 179.943 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . 0.415 ' N ' ' O ' ' A' ' 33' ' ' ALA . 42.8 t -75.5 115.03 41.82 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.483 1.115 . . . . 0.0 108.336 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -33.62 4.45 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.519 1.799 . . . . 0.0 111.01 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -65.49 -35.08 79.84 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.511 1.132 . . . . 0.0 109.269 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . 0.444 ' O ' ' N ' ' A' ' 43' ' ' LEU . 47.2 m -69.11 -48.31 62.87 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.59 1.181 . . . . 0.0 108.269 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 73.8 mt -51.46 -47.88 62.98 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.533 1.146 . . . . 0.0 109.385 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.1 p -68.52 -25.23 64.84 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.536 1.148 . . . . 0.0 110.013 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -82.56 -26.5 32.35 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.493 1.121 . . . . 0.0 110.238 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.444 ' N ' ' O ' ' A' ' 39' ' ' CYS . 48.9 mt -44.08 -52.89 6.83 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.454 1.096 . . . . 0.0 109.364 179.899 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -57.87 -48.63 80.97 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.425 1.078 . . . . 0.0 110.967 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . 0.424 ' CD ' ' CZ2' ' A' ' 49' ' ' TRP . 36.4 tt0 -61.75 -31.22 71.39 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.454 0.738 . . . . 0.0 110.28 -179.944 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 28.0 m -69.43 -34.6 74.68 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.469 1.106 . . . . 0.0 110.384 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -68.25 -41.84 80.56 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.122 . . . . 0.0 110.279 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 7.1 tttm -68.9 -35.37 76.77 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.464 1.103 . . . . 0.0 109.391 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' TRP . . . . . 0.424 ' CZ2' ' CD ' ' A' ' 45' ' ' GLN . 44.2 m0 -72.19 -31.98 66.39 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.464 1.102 . . . . 0.0 108.086 179.849 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -76.75 -9.4 58.65 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.485 1.115 . . . . 0.0 109.29 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 2.1 mm-40 -104.91 -14.59 15.42 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.48 1.112 . . . . 0.0 110.211 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . 0.426 ' OD1' ' N ' ' A' ' 54' ' ' LYS . 24.1 t0 -65.18 128.59 36.43 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.482 1.114 . . . . 0.0 109.383 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -54.4 -47.87 72.23 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.458 1.099 . . . . 0.0 109.346 -179.918 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . 0.426 ' N ' ' OD1' ' A' ' 52' ' ' ASP . 3.3 mmmt -48.94 -38.42 22.84 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.467 1.105 . . . . 0.0 109.341 179.947 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . 0.57 ' CZ ' ' HB1' ' A' ' 133' ' ' ALA . 1.1 m-85 -76.53 -30.41 57.12 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.484 1.115 . . . . 0.0 111.061 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 1.4 t -46.53 -40.0 11.87 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.455 1.097 . . . . 0.0 109.983 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 70.0 m -39.43 -60.23 0.97 Allowed 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.427 1.079 . . . . 0.0 109.97 -179.95 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -102.87 165.6 10.95 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.535 1.147 . . . . 0.0 109.364 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 67.8 m-20 -89.13 130.85 35.5 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.452 1.095 . . . . 0.0 109.281 179.936 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.542 HD13 ' CD1' ' A' ' 55' ' ' PHE . 3.5 tt -119.69 126.04 50.14 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.461 1.101 . . . . 0.0 109.333 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . 0.427 ' CD1' HG21 ' A' ' 92' ' ' VAL . 9.4 pt -152.77 160.25 3.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.528 1.142 . . . . 0.0 109.404 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' THR . . . . . 0.544 ' HB ' ' CD1' ' A' ' 32' ' ' TRP . 30.4 p -109.61 153.55 24.03 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.493 1.121 . . . . 0.0 110.376 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . 0.451 ' HB ' ' CG2' ' A' ' 29' ' ' ILE . 1.2 t -125.13 144.73 34.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.554 1.159 . . . . 0.0 109.294 -179.953 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . 0.591 ' CB ' ' CZ ' ' A' ' 77' ' ' PHE . . . -134.53 138.22 44.48 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.562 1.164 . . . . 0.0 109.317 -179.933 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' SER . . . . . 0.406 ' CB ' ' HB3' ' A' ' 68' ' ' PHE . 1.8 m -110.89 107.83 57.8 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.478 1.111 . . . . 0.0 109.976 -179.909 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.95 134.03 17.39 Favored 'Trans proline' 0 C--N 1.358 1.074 0 O-C-N 124.529 1.805 . . . . 0.0 111.014 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 69.31 5.84 50.99 Favored Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.509 1.131 . . . . 0.0 110.941 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . 0.406 ' HB3' ' CB ' ' A' ' 65' ' ' SER . 73.1 t80 -127.94 135.01 49.36 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.55 0.794 . . . . 0.0 110.975 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER 74.79 25.76 1.44 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.374 1.046 . . . . 0.0 109.288 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 28.5 m170 63.26 22.41 13.32 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.438 1.086 . . . . 0.0 109.547 179.908 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . 0.411 ' OE2' ' CD1' ' A' ' 35' ' ' TRP . 0.2 OUTLIER -86.83 149.6 24.72 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.461 1.101 . . . . 0.0 110.303 -179.99 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . 0.401 ' C ' ' O ' ' A' ' 71' ' ' GLU . 3.2 mmpt? -39.78 153.97 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.482 1.114 . . . . 0.0 109.314 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 5.1 tttt -83.04 152.79 25.23 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.46 1.1 . . . . 0.0 109.304 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -48.54 152.32 0.96 Allowed 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.531 1.145 . . . . 0.0 109.35 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 79.83 -51.8 4.1 Favored Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.543 1.152 . . . . 0.0 110.98 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -71.52 -29.19 64.5 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.483 0.755 . . . . 0.0 109.301 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 77' ' ' PHE . . . . . 0.596 ' CE1' ' CG2' ' A' ' 93' ' ' THR . 16.8 t80 -77.66 -57.05 4.02 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.525 1.141 . . . . 0.0 110.957 -179.948 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 16.2 pt20 -51.0 -27.99 8.96 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.485 1.116 . . . . 0.0 110.294 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 3.4 mtmt -74.89 -39.46 61.47 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.556 1.16 . . . . 0.0 109.294 -179.919 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 80' ' ' TRP . . . . . . . . . . . . . 2.5 t90 . . . . . 0 C--N 1.326 -0.432 0 O-C-N 124.554 1.159 . . . . 0.0 107.947 179.994 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.452 -0.332 0 N-CA-C 109.273 -0.64 . . . . 0.0 109.273 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -91.21 120.57 68.45 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.562 1.164 . . . . 0.0 109.335 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 127.0 10.37 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.484 1.781 . . . . 0.0 111.007 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 38.2 t -140.32 125.06 19.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.513 1.133 . . . . 0.0 109.297 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . 0.427 HG21 ' CD1' ' A' ' 61' ' ' ILE . 30.4 t -123.16 134.98 64.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.467 1.105 . . . . 0.0 109.3 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 93' ' ' THR . . . . . 0.596 ' CG2' ' CE1' ' A' ' 77' ' ' PHE . 2.0 p -112.69 117.54 32.52 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.463 1.102 . . . . 0.0 110.468 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 94' ' ' ASP . . . . . 0.433 ' CB ' HD11 ' A' ' 9' ' ' LEU . 62.3 t0 -115.0 111.52 21.26 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.561 1.163 . . . . 0.0 109.312 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 11.8 t-20 -58.91 118.8 6.18 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.429 1.081 . . . . 0.0 109.331 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 86.7 -16.56 45.32 Favored Glycine 0 CA--C 1.529 0.93 0 O-C-N 124.484 1.115 . . . . 0.0 111.081 -179.947 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 67.12 58.96 7.37 Favored Glycine 0 CA--C 1.53 1.026 0 N-CA-C 110.991 -0.844 . . . . 0.0 110.991 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 98' ' ' THR . . . . . 0.432 ' O ' ' CB ' ' A' ' 102' ' ' SER . 15.6 m -53.05 -32.09 45.03 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.491 0.76 . . . . 0.0 110.351 -179.951 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 99' ' ' ILE . . . . . 0.497 ' CD1' ' N ' ' A' ' 99' ' ' ILE . 1.1 mm -73.55 -36.45 47.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.616 1.198 . . . . 0.0 109.258 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 100' ' ' ALA . . . . . 0.404 ' O ' ' N ' ' A' ' 105' ' ' ILE . . . -77.05 -40.21 47.15 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.571 1.169 . . . . 0.0 109.297 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 2.6 tt0 -73.36 -32.55 64.58 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.485 1.116 . . . . 0.0 110.226 -179.94 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 102' ' ' SER . . . . . 0.432 ' CB ' ' O ' ' A' ' 98' ' ' THR . 30.6 t -68.04 -34.6 76.78 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.435 1.085 . . . . 0.0 109.956 -179.95 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . 0.441 ' HB3' ' CD1' ' A' ' 123' ' ' ILE . 15.2 mt -109.37 13.39 24.21 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.545 1.153 . . . . 0.0 109.265 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 12.3 t30 40.92 73.12 0.13 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.453 1.096 . . . . 0.0 109.304 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 105' ' ' ILE . . . . . 0.444 ' CD1' HD11 ' A' ' 123' ' ' ILE . 61.6 mt -110.65 133.05 57.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.4 1.062 . . . . 0.0 109.371 179.919 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 13.1 p -146.43 33.91 0.96 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.46 1.1 . . . . 0.0 110.011 -179.924 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 2.0 p -147.17 132.33 11.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.548 1.155 . . . . 0.0 109.357 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 108' ' ' TYR . . . . . 0.573 ' CE1' ' HB3' ' A' ' 31' ' ' PHE . 23.0 m-85 -131.03 152.73 81.19 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.499 1.124 . . . . 0.0 111.016 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 109' ' ' PRO . . . . . 0.505 ' C ' ' HA ' ' A' ' 108' ' ' TYR . 18.3 Cg_endo -75.09 157.98 99.18 Favored 'Cis proline' 0 C--N 1.359 1.115 0 C-N-CA 121.04 -2.483 . . . . 0.0 110.979 0.104 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -130.71 161.0 32.63 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.54 1.15 . . . . 0.0 110.055 -180.0 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 111' ' ' TRP . . . . . 0.448 ' CZ2' ' HG3' ' A' ' 30' ' ' LYS . 76.1 m95 -135.64 139.65 43.93 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 108.016 -1.105 . . . . 0.0 108.016 179.941 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -131.19 132.23 44.56 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.379 1.049 . . . . 0.0 109.236 -179.947 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 16.6 tp -108.3 126.83 53.28 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.52 1.138 . . . . 0.0 109.285 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 114' ' ' ILE . . . . . 0.427 ' CG2' ' HA2' ' A' ' 118' ' ' GLY . 1.7 mp -113.72 132.8 61.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.508 1.13 . . . . 0.0 109.278 179.941 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 115' ' ' GLY . . . . . 0.417 ' N ' ' HB2' ' A' ' 121' ' ' GLN . . . -52.41 169.67 0.62 Allowed Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.489 1.118 . . . . 0.0 111.016 179.961 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.18 -13.76 62.6 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.565 0.803 . . . . 0.0 109.309 -179.944 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -85.85 -17.57 35.25 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.511 1.132 . . . . 0.0 109.28 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 118' ' ' GLY . . . . . 0.427 ' HA2' ' CG2' ' A' ' 114' ' ' ILE . . . 96.89 32.7 6.38 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.606 1.191 . . . . 0.0 110.982 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -124.72 142.37 51.44 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.557 0.798 . . . . 0.0 109.367 179.922 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 75.1 t -44.69 118.56 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.444 1.09 . . . . 0.0 109.353 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 121' ' ' GLN . . . . . 0.417 ' HB2' ' N ' ' A' ' 115' ' ' GLY . 3.0 tt0 -98.98 -57.54 2.15 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.534 1.147 . . . . 0.0 110.237 -179.912 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -147.83 140.68 24.81 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.533 1.146 . . . . 0.0 110.337 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 123' ' ' ILE . . . . . 0.444 HD11 ' CD1' ' A' ' 105' ' ' ILE . 0.9 OUTLIER -105.38 134.0 48.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.479 1.112 . . . . 0.0 109.261 -179.928 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 97.5 t -124.47 130.39 73.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.411 1.069 . . . . 0.0 109.275 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 28.6 mttt -117.17 119.4 35.11 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.535 1.147 . . . . 0.0 109.227 -179.945 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . 126.33 -171.77 18.07 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.484 1.115 . . . . 0.0 110.972 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 3.6 m -103.1 135.92 43.87 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.562 0.801 . . . . 0.0 110.045 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 128' ' ' ILE . . . . . . . . . . . . . 18.5 pt -114.96 162.83 12.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.463 1.102 . . . . 0.0 109.331 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 129' ' ' ASN . . . . . . . . . . . . . 3.0 p30 -108.16 168.62 9.17 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.57 1.168 . . . . 0.0 109.33 179.938 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 27.0 tt0 -49.82 -41.64 45.35 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.545 1.153 . . . . 0.0 110.254 -179.919 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -55.43 -53.46 56.04 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.528 1.143 . . . . 0.0 109.278 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -50.91 -45.5 60.31 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.449 1.093 . . . . 0.0 110.354 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 133' ' ' ALA . . . . . 0.57 ' HB1' ' CZ ' ' A' ' 55' ' ' PHE . . . -51.38 -45.71 62.53 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.567 1.167 . . . . 0.0 109.332 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 134' ' ' LEU . . . . . 0.402 ' CD2' ' HB3' ' A' ' 54' ' ' LYS . 25.5 mt . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.447 1.092 . . . . 0.0 109.236 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.35 0 CA-C-O 120.446 0.165 . . . . 0.0 110.967 . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 3.5 m -52.95 154.55 5.01 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.462 1.101 . . . . 0.0 109.195 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.92 -13.58 21.56 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.556 1.819 . . . . 0.0 110.942 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 2.5 t-160 -76.74 -30.0 56.39 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.45 1.094 . . . . 0.0 109.635 -179.915 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 20.6 m -82.0 -43.62 17.75 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.602 1.189 . . . . 0.0 110.378 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 16.7 tp -61.96 -43.08 99.58 Favored 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.423 1.077 . . . . 0.0 109.288 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 89.3 p -72.05 -22.88 61.31 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.495 1.122 . . . . 0.0 110.005 -179.904 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 1.3 m -71.89 -28.15 63.32 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.581 1.176 . . . . 0.0 110.397 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.445 HD13 ' CD1' ' A' ' 99' ' ' ILE . 20.8 mt -46.55 165.16 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.414 0 O-C-N 124.501 1.126 . . . . 0.0 109.372 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -133.96 149.02 51.23 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.472 1.108 . . . . 0.0 109.26 -179.921 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' THR . . . . . 0.483 ' CB ' ' O ' ' A' ' 91' ' ' VAL . 10.1 p -92.68 177.47 6.09 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.57 1.168 . . . . 0.0 110.454 179.932 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -66.26 -11.44 50.31 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.486 1.116 . . . . 0.0 109.302 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -98.77 20.47 13.0 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.456 1.098 . . . . 0.0 109.309 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 51.57 30.05 6.11 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.48 1.113 . . . . 0.0 109.291 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 19.7 mtp180 -102.07 153.64 37.89 Favored Pre-proline 0 C--N 1.324 -0.525 0 O-C-N 124.56 1.163 . . . . 0.0 110.247 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.92 130.07 13.01 Favored 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.474 1.776 . . . . 0.0 111.037 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -65.01 -14.51 60.59 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.543 1.152 . . . . 0.0 109.277 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' SER . . . . . 0.401 ' O ' ' N ' ' A' ' 21' ' ' LEU . 55.6 p -61.39 -40.32 93.91 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.481 1.113 . . . . 0.0 110.035 -179.947 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 27.2 t -53.33 -23.06 6.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.561 1.163 . . . . 0.0 109.321 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . 0.416 ' CZ ' ' HB3' ' A' ' 90' ' ' PRO . 14.8 m-85 -101.88 23.0 12.04 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.373 1.045 . . . . 0.0 110.979 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.496 ' O ' ' CB ' ' A' ' 22' ' ' LYS . 0.2 OUTLIER -151.53 115.24 4.89 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.44 1.087 . . . . 0.0 109.312 179.975 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . 0.496 ' CB ' ' O ' ' A' ' 21' ' ' LEU . 0.0 OUTLIER 164.27 -178.14 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.518 1.136 . . . . 0.0 109.31 -179.974 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 66.06 26.31 10.77 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.451 1.095 . . . . 0.0 109.244 179.948 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 67.6 m-20 40.43 39.19 0.67 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.608 1.193 . . . . 0.0 109.3 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 1.2 mttp -103.34 160.61 25.61 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.461 1.101 . . . . 0.0 109.346 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 154.45 42.81 Favored 'Trans proline' 0 C--N 1.361 1.217 0 O-C-N 124.423 1.749 . . . . 0.0 110.967 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 40.2 m -129.8 141.12 50.9 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.46 1.1 . . . . 0.0 110.353 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 16.5 tp -125.32 129.99 51.07 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.425 1.078 . . . . 0.0 109.272 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 12.5 mt -110.4 148.22 14.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.473 1.108 . . . . 0.0 109.279 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.562 ' HB2' ' CE3' ' A' ' 111' ' ' TRP . 3.6 tptp -138.35 115.44 10.94 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.55 1.157 . . . . 0.0 109.306 179.943 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . 0.592 ' HB3' ' CE1' ' A' ' 108' ' ' TYR . 61.4 m-85 -86.21 137.3 32.74 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.541 1.15 . . . . 0.0 110.993 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' TRP . . . . . 0.572 ' CZ3' HD12 ' A' ' 43' ' ' LEU . 16.7 p-90 -141.07 171.54 13.92 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.519 1.137 . . . . 0.0 108.025 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -138.88 146.02 40.65 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.544 1.152 . . . . 0.0 109.265 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' SER . . . . . 0.568 ' HB3' ' CZ3' ' A' ' 80' ' ' TRP . 0.3 OUTLIER -69.06 -38.7 79.22 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.5 1.125 . . . . 0.0 110.023 -179.949 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 14.0 p-90 -69.13 -10.09 55.97 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.526 1.141 . . . . 0.0 107.971 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 43.1 t -94.55 114.99 64.79 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.447 1.092 . . . . 0.0 108.195 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.0 -50.61 0.13 Allowed 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.428 1.751 . . . . 0.0 110.986 179.933 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.422 ' HG ' ' N ' ' A' ' 39' ' ' CYS . 0.3 OUTLIER -50.34 -35.08 26.22 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.57 1.169 . . . . 0.0 109.289 179.973 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . 0.422 ' N ' ' HG ' ' A' ' 38' ' ' LEU . 1.0 OUTLIER -70.54 -50.91 32.58 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.503 1.127 . . . . 0.0 108.311 -179.977 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 43.0 mt -51.13 -47.14 62.1 Favored 'General case' 0 C--N 1.327 -0.41 0 O-C-N 124.463 1.102 . . . . 0.0 109.277 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 9.3 p -67.74 -24.89 65.41 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.526 1.141 . . . . 0.0 110.027 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . 0.41 ' O ' ' N ' ' A' ' 46' ' ' THR . 0.8 OUTLIER -75.87 -28.92 58.35 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.454 1.096 . . . . 0.0 110.294 179.981 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.572 HD12 ' CZ3' ' A' ' 32' ' ' TRP . 13.8 mt -47.94 -54.68 12.0 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.546 1.154 . . . . 0.0 109.343 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -51.62 -44.6 54.26 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.454 1.096 . . . . 0.0 111.05 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . 0.411 ' O ' ' CG ' ' A' ' 49' ' ' TRP . 1.1 tt0 -71.36 -32.0 68.01 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.562 0.801 . . . . 0.0 110.288 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' THR . . . . . 0.41 ' N ' ' O ' ' A' ' 42' ' ' GLU . 3.3 m -76.74 -29.14 56.04 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.524 1.14 . . . . 0.0 110.349 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . 0.436 ' N ' ' O ' ' A' ' 43' ' ' LEU . 23.5 tt0 -70.66 -40.15 73.18 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.488 1.118 . . . . 0.0 110.309 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.36 -32.31 48.97 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.459 1.099 . . . . 0.0 109.294 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' TRP . . . . . 0.411 ' CG ' ' O ' ' A' ' 45' ' ' GLN . 30.3 m0 -64.69 -30.45 71.47 Favored 'General case' 0 C--N 1.323 -0.576 0 O-C-N 124.55 1.157 . . . . 0.0 107.969 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -76.37 -9.09 58.38 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.473 1.108 . . . . 0.0 109.359 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 15.4 mt-30 -104.5 -3.37 24.03 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.566 1.166 . . . . 0.0 110.352 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . 0.43 ' OD1' ' N ' ' A' ' 54' ' ' LYS . 4.1 t0 -76.69 131.81 39.0 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.514 1.133 . . . . 0.0 109.221 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -53.59 -48.94 68.78 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.467 1.105 . . . . 0.0 109.209 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . 0.43 ' N ' ' OD1' ' A' ' 52' ' ' ASP . 0.1 OUTLIER -50.38 -43.03 54.24 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.549 1.156 . . . . 0.0 109.286 179.968 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . 0.571 ' CE1' HD13 ' A' ' 60' ' ' LEU . 1.3 m-85 -77.26 -36.2 54.62 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.459 1.099 . . . . 0.0 110.959 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' SER . . . . . 0.408 ' O ' ' C ' ' A' ' 57' ' ' SER . 20.5 m -46.71 -44.65 18.92 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.475 1.109 . . . . 0.0 109.979 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' SER . . . . . 0.408 ' C ' ' O ' ' A' ' 56' ' ' SER . 0.2 OUTLIER -38.97 -44.95 1.14 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.5 1.125 . . . . 0.0 109.995 -179.983 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -110.86 166.24 11.19 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.434 1.084 . . . . 0.0 109.232 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 16.9 m-20 -88.39 127.51 35.5 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.568 1.168 . . . . 0.0 109.221 -179.899 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.571 HD13 ' CE1' ' A' ' 55' ' ' PHE . 6.8 tt -116.97 126.13 52.45 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.487 1.117 . . . . 0.0 109.332 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . 0.411 ' HA ' ' HG2' ' A' ' 90' ' ' PRO . 9.5 pt -151.67 160.38 3.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.39 1.057 . . . . 0.0 109.226 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' THR . . . . . 0.401 ' OG1' ' HA ' ' A' ' 91' ' ' VAL . 27.4 p -112.14 156.69 21.86 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.444 1.09 . . . . 0.0 110.37 -179.916 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . 0.409 HG11 ' CD2' ' A' ' 31' ' ' PHE . 3.0 t -129.0 140.95 47.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.508 1.13 . . . . 0.0 109.284 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -134.72 143.56 47.25 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.454 1.096 . . . . 0.0 109.262 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' SER . . . . . 0.436 ' CB ' ' HB3' ' A' ' 68' ' ' PHE . 1.6 m -114.13 107.63 51.64 Favored Pre-proline 0 C--N 1.326 -0.423 0 O-C-N 124.535 1.147 . . . . 0.0 110.025 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . 0.42 ' HB2' ' N ' ' A' ' 74' ' ' ASP . 18.2 Cg_endo -75.05 135.51 19.08 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.528 1.804 . . . . 0.0 111.077 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 66.96 8.0 46.5 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.541 1.151 . . . . 0.0 110.913 -179.935 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . 0.504 ' CD1' ' HB2' ' A' ' 69' ' ' LEU . 3.4 t80 -120.05 127.21 52.36 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.454 0.738 . . . . 0.0 111.005 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.57 HD23 ' CE2' ' A' ' 108' ' ' TYR . 5.7 tp 77.38 31.35 0.48 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.539 1.149 . . . . 0.0 109.263 179.944 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 57.3 m80 65.33 14.23 9.3 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.534 1.146 . . . . 0.0 109.668 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . 0.441 ' HB2' ' O ' ' A' ' 68' ' ' PHE . 0.1 OUTLIER -81.04 145.16 31.27 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.459 1.099 . . . . 0.0 110.335 -179.96 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . 0.402 ' C ' ' O ' ' A' ' 71' ' ' GLU . 0.7 OUTLIER -39.85 152.04 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.443 1.09 . . . . 0.0 109.32 179.997 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 3.7 ttpt -77.92 165.86 23.58 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.437 1.085 . . . . 0.0 109.349 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . 0.42 ' N ' ' HB2' ' A' ' 66' ' ' PRO . 0.0 OUTLIER -65.94 147.04 53.98 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.46 1.1 . . . . 0.0 109.31 179.953 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 86.77 -48.29 3.85 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.514 1.134 . . . . 0.0 110.991 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 78.5 m-20 -76.75 -28.71 55.84 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.536 0.786 . . . . 0.0 109.303 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 4.8 t80 -77.67 -54.95 5.77 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.509 1.13 . . . . 0.0 111.019 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 16.1 pt20 -52.46 -34.93 51.25 Favored 'General case' 0 C--N 1.323 -0.548 0 O-C-N 124.426 1.078 . . . . 0.0 110.344 179.859 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -72.0 -39.58 69.13 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.577 1.173 . . . . 0.0 109.324 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' TRP . . . . . 0.568 ' CZ3' ' HB3' ' A' ' 34' ' ' SER . 7.0 t90 -64.71 -54.15 36.06 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 108.02 -1.104 . . . . 0.0 108.02 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' TYR . . . . . 0.513 ' CZ ' HG21 ' A' ' 91' ' ' VAL . 6.3 t80 -65.72 -28.25 68.92 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.494 1.121 . . . . 0.0 111.108 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -55.27 -23.78 24.78 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.459 1.099 . . . . 0.0 109.362 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -103.18 18.66 48.39 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.443 1.089 . . . . 0.0 111.053 179.923 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 24.6 mt -130.4 159.96 35.46 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.537 0.787 . . . . 0.0 109.316 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 10.7 m120 51.09 -171.02 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.131 . . . . 0.0 109.255 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 40.4 m-85 -113.45 163.05 19.4 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.486 1.116 . . . . 0.0 111.049 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.1 46.31 1.53 Allowed 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.447 1.762 . . . . 0.0 110.956 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 2.5 mtmm -140.6 11.71 2.29 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.536 1.148 . . . . 0.0 109.299 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . 0.462 ' CD1' ' HD2' ' A' ' 90' ' ' PRO . 0.5 OUTLIER -113.72 132.37 22.62 Favored Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.429 1.081 . . . . 0.0 109.294 179.928 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' PRO . . . . . 0.462 ' HD2' ' CD1' ' A' ' 89' ' ' LEU . 18.3 Cg_endo -74.95 126.88 10.29 Favored 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.46 1.768 . . . . 0.0 111.003 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . 0.513 HG21 ' CZ ' ' A' ' 81' ' ' TYR . 3.7 t -137.81 122.53 23.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 O-C-N 124.512 1.132 . . . . 0.0 109.327 179.939 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . 0.41 HG22 ' CD1' ' A' ' 61' ' ' ILE . 28.2 t -116.58 134.19 60.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.546 1.154 . . . . 0.0 109.298 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 4.7 p -118.88 118.59 31.94 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.392 1.058 . . . . 0.0 110.377 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 58.6 t0 -114.88 111.18 20.79 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.528 1.142 . . . . 0.0 109.328 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 22.3 t-20 -58.43 113.48 2.0 Allowed 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.511 1.132 . . . . 0.0 109.302 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 87.37 -19.71 30.37 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.482 1.114 . . . . 0.0 111.073 -179.939 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 63.98 71.48 0.84 Allowed Glycine 0 CA--C 1.53 0.976 0 N-CA-C 110.973 -0.851 . . . . 0.0 110.973 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 2.5 m -61.95 -36.77 82.4 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.483 0.754 . . . . 0.0 110.399 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 99' ' ' ILE . . . . . 0.445 ' CD1' HD13 ' A' ' 9' ' ' LEU . 3.1 mt -74.47 -37.74 44.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.545 1.153 . . . . 0.0 109.32 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -70.55 -37.23 74.0 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.452 1.095 . . . . 0.0 109.233 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -79.68 -34.88 39.9 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.517 1.136 . . . . 0.0 110.303 -179.952 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 34.2 t -63.56 -39.16 93.68 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.556 1.16 . . . . 0.0 109.969 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . 0.469 ' HB3' ' CD1' ' A' ' 123' ' ' ILE . 58.8 mt -88.93 -1.45 58.1 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.495 1.122 . . . . 0.0 109.324 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 16.5 t-20 54.55 49.88 17.25 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.54 1.15 . . . . 0.0 109.352 -179.906 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 105' ' ' ILE . . . . . 0.444 HG22 ' CG1' ' A' ' 107' ' ' VAL . 18.7 mt -83.84 -79.09 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.4 1.063 . . . . 0.0 109.323 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 106' ' ' SER . . . . . 0.409 ' OG ' ' O ' ' A' ' 105' ' ' ILE . 22.5 p 53.73 32.1 14.1 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.524 1.14 . . . . 0.0 109.983 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 107' ' ' VAL . . . . . 0.444 ' CG1' HG22 ' A' ' 105' ' ' ILE . 7.7 p -148.66 132.05 7.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.627 1.204 . . . . 0.0 109.3 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 108' ' ' TYR . . . . . 0.592 ' CE1' ' HB3' ' A' ' 31' ' ' PHE . 17.4 m-85 -130.76 153.17 81.53 Favored Pre-proline 0 C--N 1.324 -0.538 0 O-C-N 124.603 1.19 . . . . 0.0 111.027 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 109' ' ' PRO . . . . . 0.5 ' C ' ' HA ' ' A' ' 108' ' ' TYR . 18.5 Cg_endo -75.03 173.03 60.03 Favored 'Cis proline' 0 C--N 1.36 1.175 0 C-N-CA 120.982 -2.507 . . . . 0.0 111.006 0.059 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 5.1 m -158.18 149.54 21.17 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.536 1.147 . . . . 0.0 109.912 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 111' ' ' TRP . . . . . 0.562 ' CE3' ' HB2' ' A' ' 30' ' ' LYS . 83.5 m95 -123.36 141.59 51.83 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.611 1.194 . . . . 0.0 108.013 179.942 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -133.8 138.14 45.52 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.502 1.126 . . . . 0.0 109.291 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 49.5 tp -108.58 133.45 52.69 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.455 1.097 . . . . 0.0 109.297 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 114' ' ' ILE . . . . . 0.447 ' CD1' ' HA ' ' A' ' 120' ' ' VAL . 48.7 mm -120.55 115.23 46.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.515 1.135 . . . . 0.0 109.286 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -43.04 166.71 0.01 OUTLIER Glycine 0 CA--C 1.531 1.064 0 O-C-N 124.563 1.165 . . . . 0.0 110.979 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.34 -10.32 49.82 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.534 0.785 . . . . 0.0 109.305 -179.947 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -85.8 -22.12 27.8 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.511 1.132 . . . . 0.0 109.303 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . 99.49 30.28 6.63 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.561 1.163 . . . . 0.0 110.948 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 1.1 p30 -124.07 159.74 29.26 Favored 'General case' 0 C--N 1.323 -0.557 0 O-C-N 124.556 0.798 . . . . 0.0 109.294 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 120' ' ' VAL . . . . . 0.447 ' HA ' ' CD1' ' A' ' 114' ' ' ILE . 84.1 t -59.64 117.86 2.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.533 1.146 . . . . 0.0 109.286 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -101.46 -55.51 2.51 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.438 1.086 . . . . 0.0 110.337 179.938 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -148.34 142.31 25.86 Favored 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.528 1.142 . . . . 0.0 110.292 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 123' ' ' ILE . . . . . 0.469 ' CD1' ' HB3' ' A' ' 103' ' ' LEU . 12.3 tt -114.29 136.83 49.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.509 1.131 . . . . 0.0 109.333 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 73.5 t -122.15 137.21 56.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.545 1.153 . . . . 0.0 109.241 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 9.9 pttt -113.98 119.95 38.95 Favored 'General case' 0 C--N 1.326 -0.415 0 O-C-N 124.477 1.111 . . . . 0.0 109.281 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . 119.67 -146.37 18.04 Favored Glycine 0 CA--C 1.529 0.911 0 O-C-N 124.448 1.093 . . . . 0.0 111.034 -179.931 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -125.99 161.48 27.42 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.382 0.695 . . . . 0.0 109.984 -179.927 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 128' ' ' ILE . . . . . . . . . . . . . 13.9 pt -136.41 166.77 25.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.532 1.145 . . . . 0.0 109.316 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 129' ' ' ASN . . . . . 0.429 ' OD1' ' N ' ' A' ' 129' ' ' ASN . 1.6 p-10 -106.57 169.17 8.68 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.61 1.194 . . . . 0.0 109.249 -179.929 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 10.4 tt0 -56.57 -36.8 69.73 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.509 1.131 . . . . 0.0 110.318 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -63.16 -50.09 71.76 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.493 1.12 . . . . 0.0 109.282 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 1.3 tt0 -50.95 -44.88 60.56 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.577 1.173 . . . . 0.0 110.315 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 133' ' ' ALA . . . . . 0.486 ' CB ' ' CZ ' ' A' ' 55' ' ' PHE . . . -52.79 -45.64 67.28 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.487 1.117 . . . . 0.0 109.3 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 23.2 mt -57.37 -50.42 73.04 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.486 1.116 . . . . 0.0 109.304 -179.93 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -60.9 -30.29 70.09 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.476 1.11 . . . . 0.0 109.379 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 32.0 tp -69.69 -47.19 64.11 Favored 'General case' 0 C--N 1.327 -0.397 0 O-C-N 124.451 1.094 . . . . 0.0 109.307 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 137' ' ' ILE . . . . . . . . . . . . . 5.5 mt -70.59 -23.27 24.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.465 1.103 . . . . 0.0 109.258 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -80.36 -47.55 14.29 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.473 1.108 . . . . 0.0 110.291 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 139' ' ' ASP . . . . . 0.434 ' OD1' ' ND2' ' A' ' 141' ' ' ASN . 1.9 t70 -170.14 135.2 1.19 Allowed Pre-proline 0 C--N 1.327 -0.402 0 O-C-N 124.475 1.109 . . . . 0.0 109.213 -179.942 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.05 -21.24 15.96 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.53 1.805 . . . . 0.0 111.006 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 141' ' ' ASN . . . . . 0.434 ' ND2' ' OD1' ' A' ' 139' ' ' ASP . 83.5 m-20 -67.57 -23.71 65.44 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.497 1.123 . . . . 0.0 109.301 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -50.7 121.63 6.12 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.39 1.056 . . . . 0.0 109.249 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 143' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -166.35 135.4 3.04 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.449 1.093 . . . . 0.0 109.248 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.326 -0.455 0 O-C-N 124.476 1.11 . . . . 0.0 109.284 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.7 tmm? . . . . . 0 N--CA 1.453 -0.318 0 CA-C-O 120.52 0.2 . . . . 0.0 111.042 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 3.6 m -122.18 160.57 47.11 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.487 1.117 . . . . 0.0 109.256 -179.914 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . 0.464 ' HG3' ' CA ' ' A' ' 118' ' ' GLY . 18.6 Cg_endo -74.91 -17.39 19.81 Favored 'Trans proline' 0 C--N 1.361 1.231 0 O-C-N 124.477 1.778 . . . . 0.0 111.072 179.948 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 8.0 t60 -59.96 -39.15 84.62 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.515 1.134 . . . . 0.0 109.561 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 30.9 p -82.88 -40.72 19.86 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.486 1.116 . . . . 0.0 110.338 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.462 ' CD1' HD11 ' A' ' 99' ' ' ILE . 7.1 tp -46.56 -33.23 3.95 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.458 1.099 . . . . 0.0 109.273 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 2.8 t -51.27 -21.74 2.32 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.551 1.157 . . . . 0.0 109.958 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 99.7 m -68.46 -38.56 81.19 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.443 1.09 . . . . 0.0 110.406 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.42 ' HB2' ' O ' ' A' ' 6' ' ' LEU . 3.9 mm? -41.62 150.1 0.11 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.47 1.106 . . . . 0.0 109.211 -179.946 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 4.5 mmmt -116.37 141.07 48.64 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.486 1.116 . . . . 0.0 109.368 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 13.4 p -82.36 -177.38 6.64 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.474 1.109 . . . . 0.0 110.435 -179.923 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . 0.592 ' CB ' ' CE1' ' A' ' 81' ' ' TYR . . . -73.69 -3.98 31.57 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.571 1.169 . . . . 0.0 109.348 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -109.04 26.65 10.37 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.54 1.15 . . . . 0.0 109.326 179.876 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 47.22 36.26 4.42 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.509 1.131 . . . . 0.0 109.309 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 5.3 mtt180 -111.03 157.35 38.97 Favored Pre-proline 0 C--N 1.326 -0.433 0 O-C-N 124.451 1.094 . . . . 0.0 110.254 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . 0.51 ' O ' ' CG2' ' A' ' 19' ' ' VAL . 18.4 Cg_endo -75.04 128.66 11.63 Favored 'Trans proline' 0 C--N 1.361 1.23 0 O-C-N 124.496 1.787 . . . . 0.0 110.987 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -49.36 -30.91 8.39 Favored 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.507 1.129 . . . . 0.0 109.224 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -55.04 -19.22 6.58 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.49 1.119 . . . . 0.0 109.971 -179.884 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . 0.51 ' CG2' ' O ' ' A' ' 16' ' ' PRO . 12.2 m -48.05 -48.01 12.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.503 1.127 . . . . 0.0 109.31 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 18.5 m-85 -117.72 24.51 11.01 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.534 1.146 . . . . 0.0 110.995 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -112.83 111.06 21.57 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.527 1.142 . . . . 0.0 109.292 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -112.38 127.77 56.11 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.397 1.061 . . . . 0.0 109.3 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.9 16.54 2.76 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.474 1.109 . . . . 0.0 109.242 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -144.06 16.74 1.74 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.533 1.145 . . . . 0.0 109.314 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 6.9 mmmt -145.32 154.71 53.83 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.542 1.151 . . . . 0.0 109.23 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.93 128.55 11.63 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.571 1.827 . . . . 0.0 111.012 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 24.8 m -112.1 130.43 55.89 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.551 1.157 . . . . 0.0 110.48 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 53.1 tp -111.45 129.57 55.99 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.471 1.107 . . . . 0.0 109.298 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 4.4 mt -108.98 149.38 12.24 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 O-C-N 124.555 1.16 . . . . 0.0 109.321 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.558 ' HD2' ' CZ2' ' A' ' 111' ' ' TRP . 12.6 tttt -139.18 117.09 11.62 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.547 1.154 . . . . 0.0 109.285 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . 0.571 ' HB3' ' CE1' ' A' ' 108' ' ' TYR . 41.7 m-85 -89.61 120.4 30.86 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.459 1.1 . . . . 0.0 111.027 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' TRP . . . . . 0.574 ' CZ3' HD22 ' A' ' 43' ' ' LEU . 6.4 p-90 -127.15 168.34 14.8 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 108.074 -1.084 . . . . 0.0 108.074 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -132.23 135.65 46.44 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.562 1.164 . . . . 0.0 109.26 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' SER . . . . . 0.585 ' HB3' ' CZ3' ' A' ' 80' ' ' TRP . 0.5 OUTLIER -63.79 -35.73 81.58 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.497 1.123 . . . . 0.0 110.041 179.986 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 23.6 p-90 -71.46 -19.44 62.22 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.479 1.112 . . . . 0.0 108.041 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 37.3 t -81.13 116.54 63.3 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.508 1.13 . . . . 0.0 108.284 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.06 -46.93 0.21 Allowed 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.483 1.781 . . . . 0.0 110.955 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 3.2 tt -52.69 -32.26 41.67 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.477 1.11 . . . . 0.0 109.332 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 36.1 m -77.38 -45.02 27.31 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.482 1.114 . . . . 0.0 108.35 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 23.2 mt -51.38 -45.3 62.39 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.456 1.097 . . . . 0.0 109.338 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.4 p -70.53 -24.91 62.9 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.479 1.112 . . . . 0.0 109.972 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 2.8 tp10 -78.54 -24.46 45.64 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.572 1.17 . . . . 0.0 110.26 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.574 HD22 ' CZ3' ' A' ' 32' ' ' TRP . 70.7 mt -46.33 -54.35 9.14 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.545 1.153 . . . . 0.0 109.24 -179.94 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -55.49 -52.67 46.36 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.409 1.068 . . . . 0.0 110.934 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 7.5 tt0 -56.72 -33.07 66.14 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.547 0.793 . . . . 0.0 110.212 -179.853 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 87.9 m -69.89 -42.63 73.16 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.518 1.137 . . . . 0.0 110.433 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . 0.415 ' HB2' ' ND2' ' A' ' 85' ' ' ASN . 20.3 tt0 -65.81 -33.06 75.0 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.495 1.122 . . . . 0.0 110.256 -179.932 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 11.3 tptt -77.92 -38.7 44.97 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.464 1.103 . . . . 0.0 109.356 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' TRP . . . . . 0.501 ' HB3' ' CE2' ' A' ' 55' ' ' PHE . 40.8 m0 -69.57 -27.89 65.51 Favored 'General case' 0 C--N 1.327 -0.401 0 O-C-N 124.476 1.11 . . . . 0.0 108.01 -179.941 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -75.02 -9.14 58.25 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.485 1.116 . . . . 0.0 109.288 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 4.7 mm-40 -106.14 -16.03 14.71 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.488 1.118 . . . . 0.0 110.318 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 44.6 t0 -63.83 125.19 23.56 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.543 1.152 . . . . 0.0 109.306 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -50.02 -45.51 52.03 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.447 1.092 . . . . 0.0 109.3 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 60.4 mmtt -49.39 -45.06 45.58 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.495 1.122 . . . . 0.0 109.313 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . 0.568 ' CZ ' ' HB2' ' A' ' 133' ' ' ALA . 2.2 m-85 -73.99 -30.78 62.66 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.508 1.13 . . . . 0.0 110.992 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 5.2 t -46.4 -39.03 9.78 Favored 'General case' 0 C--N 1.323 -0.568 0 O-C-N 124.51 1.131 . . . . 0.0 109.935 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 11.8 t -40.71 -56.72 2.08 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.526 1.142 . . . . 0.0 110.052 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -105.96 165.83 10.93 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.459 1.099 . . . . 0.0 109.232 -179.93 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . 0.408 ' OD1' ' N ' ' A' ' 59' ' ' ASN . 0.3 OUTLIER -88.95 123.62 33.47 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.557 1.161 . . . . 0.0 109.263 -179.978 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.56 HD13 ' CD1' ' A' ' 55' ' ' PHE . 2.9 tt -109.83 127.57 54.77 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.505 1.128 . . . . 0.0 109.281 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . 0.452 ' CD1' HG21 ' A' ' 92' ' ' VAL . 1.0 OUTLIER -151.21 161.48 3.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.511 1.132 . . . . 0.0 109.278 179.995 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' THR . . . . . 0.518 ' HB ' ' CD1' ' A' ' 32' ' ' TRP . 34.9 p -116.06 150.92 36.53 Favored 'General case' 0 C--N 1.327 -0.407 0 O-C-N 124.464 1.102 . . . . 0.0 110.395 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 2.2 t -122.92 144.16 33.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.597 1.185 . . . . 0.0 109.286 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . 0.446 ' N ' ' O ' ' A' ' 92' ' ' VAL . . . -134.59 139.13 45.12 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.531 1.144 . . . . 0.0 109.262 -179.932 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' SER . . . . . 0.438 ' CB ' ' HB3' ' A' ' 68' ' ' PHE . 10.0 m -113.18 108.16 53.13 Favored Pre-proline 0 C--N 1.326 -0.416 0 O-C-N 124.445 1.091 . . . . 0.0 109.98 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.91 135.12 18.83 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.525 1.803 . . . . 0.0 111.045 179.936 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 72.32 3.26 56.93 Favored Glycine 0 CA--C 1.531 1.061 0 O-C-N 124.436 1.085 . . . . 0.0 110.99 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . 0.438 ' HB3' ' CB ' ' A' ' 65' ' ' SER . 70.8 t80 -120.97 131.96 54.63 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.475 0.75 . . . . 0.0 111.017 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.422 HD23 ' CE2' ' A' ' 68' ' ' PHE . 0.2 OUTLIER 75.62 20.04 1.95 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.375 1.047 . . . . 0.0 109.297 -179.977 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER 71.09 27.38 3.31 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.472 1.107 . . . . 0.0 109.607 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -90.56 144.09 26.11 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.538 1.149 . . . . 0.0 110.28 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . 0.422 ' HE2' ' CE3' ' A' ' 80' ' ' TRP . 0.9 OUTLIER -40.71 148.85 0.09 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.575 1.172 . . . . 0.0 109.372 179.957 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 13.8 ptmt -74.81 163.11 28.02 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.513 1.133 . . . . 0.0 109.291 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -58.82 139.65 56.12 Favored 'General case' 0 C--N 1.327 -0.408 0 O-C-N 124.528 1.143 . . . . 0.0 109.307 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 90.49 -43.82 2.91 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.413 1.071 . . . . 0.0 110.993 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -74.1 -32.29 63.16 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.55 0.794 . . . . 0.0 109.354 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' PHE . . . . . 0.42 ' CD2' ' N ' ' A' ' 78' ' ' GLN . 5.1 t80 -77.53 -57.69 3.68 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.45 1.094 . . . . 0.0 111.049 179.903 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' GLN . . . . . 0.42 ' N ' ' CD2' ' A' ' 77' ' ' PHE . 16.2 pt20 -51.12 -28.64 11.26 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.514 1.134 . . . . 0.0 110.3 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -68.28 -50.55 52.92 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.54 1.15 . . . . 0.0 109.372 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' TRP . . . . . 0.585 ' CZ3' ' HB3' ' A' ' 34' ' ' SER . 5.5 t90 -65.73 -54.39 27.92 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 108.003 -1.11 . . . . 0.0 108.003 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' TYR . . . . . 0.592 ' CE1' ' CB ' ' A' ' 12' ' ' ALA . 0.4 OUTLIER -49.58 -27.81 4.94 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.546 1.154 . . . . 0.0 111.001 -179.987 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -58.94 -25.09 63.17 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.422 1.076 . . . . 0.0 109.309 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -105.76 18.17 41.0 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.479 1.112 . . . . 0.0 110.995 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 93.7 mt -119.48 128.48 54.02 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.454 0.737 . . . . 0.0 109.371 179.917 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' ASN . . . . . 0.415 ' ND2' ' HB2' ' A' ' 47' ' ' GLU . 3.8 m-20 59.02 -174.41 0.1 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.576 1.173 . . . . 0.0 109.279 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -102.22 172.49 4.31 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.526 1.141 . . . . 0.0 110.963 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 46.73 1.59 Allowed 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.498 1.788 . . . . 0.0 111.03 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 11.1 mttt -140.79 11.72 2.25 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.451 1.094 . . . . 0.0 109.269 179.92 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . 0.41 ' HA ' ' HD3' ' A' ' 90' ' ' PRO . 2.5 tp -108.04 126.08 30.57 Favored Pre-proline 0 C--N 1.323 -0.546 0 O-C-N 124.498 1.124 . . . . 0.0 109.28 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' PRO . . . . . 0.41 ' HD3' ' HA ' ' A' ' 89' ' ' LEU . 18.5 Cg_endo -74.96 128.14 11.28 Favored 'Trans proline' 0 C--N 1.361 1.22 0 O-C-N 124.518 1.799 . . . . 0.0 111.055 179.927 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 57.9 t -146.47 122.63 3.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.479 1.112 . . . . 0.0 109.296 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . 0.452 HG21 ' CD1' ' A' ' 61' ' ' ILE . 59.6 t -113.59 137.97 44.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.512 1.132 . . . . 0.0 109.292 179.943 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 2.4 p -119.4 115.86 24.96 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.508 1.13 . . . . 0.0 110.348 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 54.5 t0 -114.92 111.77 21.68 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.469 1.106 . . . . 0.0 109.314 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 18.0 t-20 -58.04 119.03 6.06 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.505 1.128 . . . . 0.0 109.302 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 84.98 -12.76 57.0 Favored Glycine 0 CA--C 1.531 1.068 0 O-C-N 124.52 1.137 . . . . 0.0 111.031 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 58.9 64.31 4.41 Favored Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.609 0.829 . . . . 0.0 111.08 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 98' ' ' THR . . . . . 0.466 ' O ' ' CB ' ' A' ' 102' ' ' SER . 2.8 m -62.19 -28.64 69.81 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.528 0.781 . . . . 0.0 110.393 -179.929 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 99' ' ' ILE . . . . . 0.462 HD11 ' CD1' ' A' ' 6' ' ' LEU . 3.0 mt -80.34 -36.88 16.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.491 1.119 . . . . 0.0 109.223 -179.911 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -73.52 -35.89 65.64 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.441 1.088 . . . . 0.0 109.358 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 3.7 tt0 -80.67 -34.55 34.66 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.5 1.125 . . . . 0.0 110.288 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 102' ' ' SER . . . . . 0.466 ' CB ' ' O ' ' A' ' 98' ' ' THR . 5.0 m -64.38 -28.06 69.43 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.539 1.15 . . . . 0.0 110.04 179.94 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 8.8 mt -103.08 -14.35 16.46 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.454 1.096 . . . . 0.0 109.28 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 8.2 t30 69.91 58.68 0.28 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.411 1.069 . . . . 0.0 109.318 -179.902 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 105' ' ' ILE . . . . . 0.568 HD11 ' CE1' ' A' ' 31' ' ' PHE . 9.9 mt -106.24 112.44 39.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.452 1.095 . . . . 0.0 109.28 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 5.3 p -129.77 36.7 4.04 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.503 1.127 . . . . 0.0 109.962 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 1.8 p -148.37 132.71 9.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.539 1.15 . . . . 0.0 109.202 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 108' ' ' TYR . . . . . 0.571 ' CE1' ' HB3' ' A' ' 31' ' ' PHE . 22.6 m-85 -130.52 152.27 80.07 Favored Pre-proline 0 C--N 1.326 -0.446 0 O-C-N 124.538 1.149 . . . . 0.0 111.071 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 109' ' ' PRO . . . . . 0.507 ' C ' ' HA ' ' A' ' 108' ' ' TYR . 18.4 Cg_endo -75.05 161.53 94.63 Favored 'Cis proline' 0 C--N 1.359 1.087 0 C-N-CA 121.023 -2.49 . . . . 0.0 110.976 0.031 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -136.71 159.18 42.61 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.56 1.163 . . . . 0.0 109.976 -179.923 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 111' ' ' TRP . . . . . 0.558 ' CZ2' ' HD2' ' A' ' 30' ' ' LYS . 62.3 m95 -133.28 140.27 47.37 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 108.002 -1.11 . . . . 0.0 108.002 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -130.33 128.96 42.55 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.489 1.118 . . . . 0.0 109.254 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 36.5 tp -108.64 133.05 53.28 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.534 1.146 . . . . 0.0 109.295 -179.932 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 43.8 mm -121.16 117.31 52.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.362 1.038 . . . . 0.0 109.358 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -42.48 165.96 0.02 OUTLIER Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.452 1.095 . . . . 0.0 110.996 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -68.95 -15.37 63.47 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.487 0.757 . . . . 0.0 109.256 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -89.03 -19.89 25.08 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.463 1.102 . . . . 0.0 109.357 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 118' ' ' GLY . . . . . 0.464 ' CA ' ' HG3' ' A' ' 3' ' ' PRO . . . 102.81 24.22 8.26 Favored Glycine 0 CA--C 1.529 0.942 0 O-C-N 124.545 1.153 . . . . 0.0 110.98 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 6.4 p-10 -112.75 135.94 52.91 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.518 0.775 . . . . 0.0 109.278 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 62.8 t -41.11 113.93 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.469 1.106 . . . . 0.0 109.365 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -88.52 -58.99 2.35 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.527 1.142 . . . . 0.0 110.266 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -157.62 136.11 11.23 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.491 1.12 . . . . 0.0 110.327 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 123' ' ' ILE . . . . . . . . . . . . . 13.0 tt -109.27 123.78 65.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.524 1.14 . . . . 0.0 109.272 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 24.9 t -114.71 137.47 48.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.506 1.129 . . . . 0.0 109.256 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 2.5 mtmp? -120.3 115.54 23.76 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.428 1.08 . . . . 0.0 109.307 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . 131.64 -156.73 22.03 Favored Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.619 1.2 . . . . 0.0 111.028 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 5.0 m -115.51 136.91 52.6 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.513 0.773 . . . . 0.0 109.943 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 128' ' ' ILE . . . . . . . . . . . . . 13.3 pt -117.81 166.68 11.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.492 1.12 . . . . 0.0 109.32 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 129' ' ' ASN . . . . . . . . . . . . . 1.7 p-10 -106.55 168.53 9.11 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.481 1.113 . . . . 0.0 109.246 -179.913 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -53.75 -42.31 68.07 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.547 1.154 . . . . 0.0 110.385 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -57.27 -51.74 68.16 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.491 1.12 . . . . 0.0 109.306 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 9.9 mt-30 -50.91 -45.4 60.32 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.471 1.107 . . . . 0.0 110.337 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 133' ' ' ALA . . . . . 0.568 ' HB2' ' CZ ' ' A' ' 55' ' ' PHE . . . -52.36 -45.04 65.56 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.413 1.07 . . . . 0.0 109.254 179.944 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 38.9 mt -57.12 -51.2 70.25 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.527 1.142 . . . . 0.0 109.34 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -66.28 -25.53 66.91 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.506 1.129 . . . . 0.0 109.263 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 16.2 tp -73.75 -39.29 64.34 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.456 1.097 . . . . 0.0 109.265 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 137' ' ' ILE . . . . . . . . . . . . . 6.8 mt -81.07 -23.2 10.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 O-C-N 124.502 1.126 . . . . 0.0 109.327 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -73.88 -47.57 37.19 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.471 1.107 . . . . 0.0 110.316 179.94 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -174.8 136.85 0.57 Allowed Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.54 1.15 . . . . 0.0 109.296 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 -15.99 20.56 Favored 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.41 1.742 . . . . 0.0 111.035 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 141' ' ' ASN . . . . . . . . . . . . . 82.2 m-20 -75.63 -17.83 59.87 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.422 1.076 . . . . 0.0 109.351 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -45.42 99.4 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.45 1.094 . . . . 0.0 109.309 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 143' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -68.56 102.69 1.52 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.517 1.135 . . . . 0.0 109.297 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 2.6 pp . . . . . 0 C--N 1.326 -0.451 0 O-C-N 124.516 1.135 . . . . 0.0 109.302 179.993 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.9 ptt? . . . . . 0 N--CA 1.452 -0.362 0 CA-C-O 120.543 0.211 . . . . 0.0 110.992 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 16.3 m -125.92 80.11 67.87 Favored Pre-proline 0 C--N 1.326 -0.423 0 O-C-N 124.43 1.081 . . . . 0.0 109.217 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.0 -24.11 13.13 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.409 1.741 . . . . 0.0 110.971 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -68.72 -46.7 68.26 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.471 1.107 . . . . 0.0 109.591 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' THR . . . . . 0.442 ' O ' ' CD2' ' A' ' 9' ' ' LEU . 64.5 p -63.06 -52.44 62.75 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.538 1.149 . . . . 0.0 110.352 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 32.8 tp -56.94 -46.24 82.2 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.529 1.143 . . . . 0.0 109.271 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 77.9 p -69.6 -22.87 63.47 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.545 1.153 . . . . 0.0 109.968 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 2.0 m -84.52 -26.07 28.35 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.533 1.146 . . . . 0.0 110.439 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.442 ' CD2' ' O ' ' A' ' 5' ' ' THR . 3.2 mm? -52.2 158.1 1.22 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.468 1.105 . . . . 0.0 109.301 179.945 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 17.8 mttt -127.25 156.43 41.91 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.475 1.11 . . . . 0.0 109.274 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 6.6 p -87.19 176.46 7.56 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.407 1.067 . . . . 0.0 110.474 179.927 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -71.86 -12.04 61.09 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.589 1.181 . . . . 0.0 109.345 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 4.0 p-10 -101.14 27.1 6.38 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.536 1.147 . . . . 0.0 109.29 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 46.38 62.82 2.12 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.48 1.113 . . . . 0.0 109.307 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -136.0 149.82 69.56 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.555 1.159 . . . . 0.0 110.248 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.01 120.96 6.28 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.47 1.774 . . . . 0.0 110.992 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -63.72 -23.2 67.27 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.474 1.109 . . . . 0.0 109.255 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 12.2 p -64.12 -26.34 68.49 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.561 1.163 . . . . 0.0 110.062 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -58.32 -38.56 69.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.545 1.153 . . . . 0.0 109.323 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 18.1 m-85 -85.71 3.91 38.99 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.457 1.098 . . . . 0.0 110.971 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.463 ' O ' ' CG ' ' A' ' 22' ' ' LYS . 0.1 OUTLIER -115.88 114.32 24.55 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.46 1.1 . . . . 0.0 109.319 179.941 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . 0.463 ' CG ' ' O ' ' A' ' 21' ' ' LEU . 0.1 OUTLIER 169.3 -176.79 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.494 1.121 . . . . 0.0 109.284 -179.987 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.421 ' O ' ' C ' ' A' ' 24' ' ' ASP . 0.2 OUTLIER 65.56 23.71 11.76 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.386 1.053 . . . . 0.0 109.281 179.968 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . 0.421 ' C ' ' O ' ' A' ' 23' ' ' LYS . 15.0 m-20 39.18 40.05 0.47 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.563 1.165 . . . . 0.0 109.294 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 8.1 mttp -101.8 162.55 20.04 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.568 1.167 . . . . 0.0 109.287 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.07 156.56 42.71 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.442 1.759 . . . . 0.0 110.992 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 33.8 m -130.22 141.81 50.61 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.608 1.193 . . . . 0.0 110.464 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.559 HD21 ' CE3' ' A' ' 111' ' ' TRP . 12.0 tp -126.28 130.51 51.01 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.582 1.176 . . . . 0.0 109.259 -179.908 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . 0.408 ' CD1' HG12 ' A' ' 114' ' ' ILE . 5.4 mp -110.27 149.65 13.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.482 1.114 . . . . 0.0 109.249 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.532 ' HB2' ' CE3' ' A' ' 111' ' ' TRP . 0.7 OUTLIER -138.61 119.2 13.95 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.518 1.136 . . . . 0.0 109.326 179.98 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . 0.582 ' HB3' ' CE1' ' A' ' 108' ' ' TYR . 25.6 m-85 -91.45 131.31 37.0 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.507 1.129 . . . . 0.0 110.967 -179.937 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' TRP . . . . . 0.561 ' CZ3' HD23 ' A' ' 43' ' ' LEU . 8.7 p-90 -134.77 167.61 20.55 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.518 1.136 . . . . 0.0 107.981 179.933 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . 0.495 ' CB ' ' CE2' ' A' ' 35' ' ' TRP . . . -131.84 133.1 44.29 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.432 1.083 . . . . 0.0 109.277 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 28.0 t -59.56 -17.64 34.32 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.452 1.095 . . . . 0.0 110.062 179.929 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' TRP . . . . . 0.495 ' CE2' ' CB ' ' A' ' 33' ' ' ALA . 16.9 p-90 -92.29 -15.64 27.14 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.519 1.137 . . . . 0.0 108.022 179.919 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 42.0 t -77.45 115.27 48.01 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.508 1.13 . . . . 0.0 108.245 -179.929 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.95 -33.72 4.44 Favored 'Trans proline' 0 C--N 1.359 1.097 0 O-C-N 124.505 1.792 . . . . 0.0 110.994 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 1.6 tm? -65.66 -31.23 72.14 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.483 1.114 . . . . 0.0 109.352 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . 0.449 ' O ' ' N ' ' A' ' 43' ' ' LEU . 52.2 m -78.03 -42.95 30.78 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.53 1.144 . . . . 0.0 108.354 179.884 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 2.3 mt -51.27 -41.86 60.7 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.569 1.168 . . . . 0.0 109.304 179.929 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 83.8 p -75.36 -25.28 57.6 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.449 1.093 . . . . 0.0 110.042 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . 0.419 ' O ' ' N ' ' A' ' 46' ' ' THR . 1.8 tp10 -87.56 -10.9 50.31 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.54 1.15 . . . . 0.0 110.27 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.561 HD23 ' CZ3' ' A' ' 32' ' ' TRP . 26.1 mt -53.84 -49.98 67.23 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.539 1.149 . . . . 0.0 109.291 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -67.96 -43.83 80.82 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.405 1.066 . . . . 0.0 110.979 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . 0.46 ' CG ' ' CE2' ' A' ' 49' ' ' TRP . 0.1 OUTLIER -64.06 -30.8 71.84 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.575 0.809 . . . . 0.0 110.27 -179.96 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' THR . . . . . 0.419 ' N ' ' O ' ' A' ' 42' ' ' GLU . 89.5 m -74.47 -39.22 62.63 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.472 1.108 . . . . 0.0 110.468 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 34.6 tt0 -69.0 -31.12 69.72 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.565 1.165 . . . . 0.0 110.357 179.904 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.413 ' O ' ' HG3' ' A' ' 51' ' ' GLN . 7.4 tptm -78.32 -54.44 6.2 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.506 1.129 . . . . 0.0 109.373 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' TRP . . . . . 0.522 ' CE2' ' HB2' ' A' ' 130' ' ' GLU . 47.9 m0 -56.75 -26.37 57.19 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 108.027 -1.101 . . . . 0.0 108.027 179.929 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -74.81 -10.6 59.67 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.622 1.201 . . . . 0.0 109.273 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . 0.458 ' NE2' ' O ' ' A' ' 51' ' ' GLN . 0.0 OUTLIER -109.95 -8.86 14.8 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.433 1.083 . . . . 0.0 110.267 -179.96 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . 0.43 ' OD1' ' N ' ' A' ' 54' ' ' LYS . 3.7 t0 -61.44 127.94 33.89 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.475 1.109 . . . . 0.0 109.311 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -55.38 -49.61 71.85 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.447 1.092 . . . . 0.0 109.311 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . 0.43 ' N ' ' OD1' ' A' ' 52' ' ' ASP . 14.3 mmtt -48.92 -37.82 20.99 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.545 1.153 . . . . 0.0 109.301 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . 0.557 ' CE1' HD11 ' A' ' 60' ' ' LEU . 0.1 OUTLIER -76.91 -27.79 55.05 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.482 1.114 . . . . 0.0 110.96 -179.986 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 9.3 t -46.54 -31.16 2.6 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.468 1.105 . . . . 0.0 110.006 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 1.4 m -45.9 -53.23 10.18 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.469 1.106 . . . . 0.0 110.022 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -111.02 165.61 11.74 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.47 1.106 . . . . 0.0 109.341 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 3.9 m-20 -89.18 125.21 34.97 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.494 1.121 . . . . 0.0 109.221 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.557 HD11 ' CE1' ' A' ' 55' ' ' PHE . 3.2 tt -115.69 127.11 54.91 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.503 1.127 . . . . 0.0 109.301 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . 0.429 HG21 ' CB ' ' A' ' 90' ' ' PRO . 0.2 OUTLIER -149.88 160.81 4.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.498 1.124 . . . . 0.0 109.3 -179.967 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' THR . . . . . 0.544 ' HB ' ' CD1' ' A' ' 32' ' ' TRP . 61.6 p -112.11 152.31 28.42 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.529 1.143 . . . . 0.0 110.348 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 2.3 t -123.63 142.29 40.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.461 1.101 . . . . 0.0 109.26 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -134.45 140.06 45.97 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.565 1.166 . . . . 0.0 109.351 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' SER . . . . . 0.444 ' CB ' ' HB3' ' A' ' 68' ' ' PHE . 15.8 m -112.37 107.66 55.21 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.562 1.164 . . . . 0.0 109.961 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . 0.423 ' HB2' ' N ' ' A' ' 74' ' ' ASP . 18.3 Cg_endo -75.01 137.96 22.38 Favored 'Trans proline' 0 C--N 1.359 1.11 0 O-C-N 124.646 1.866 . . . . 0.0 110.993 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 66.76 8.21 46.39 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.59 1.181 . . . . 0.0 110.991 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . 0.559 ' CD2' HD12 ' A' ' 69' ' ' LEU . 8.6 t80 -121.08 138.72 54.05 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.528 0.781 . . . . 0.0 110.958 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.565 HD21 ' CE2' ' A' ' 108' ' ' TYR . 8.7 mp 68.56 20.11 8.48 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.529 1.143 . . . . 0.0 109.285 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER 70.28 37.54 1.58 Allowed 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.563 1.164 . . . . 0.0 109.514 179.902 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . 0.419 ' O ' ' C ' ' A' ' 72' ' ' LYS . 0.2 OUTLIER -103.85 149.89 24.64 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.429 1.081 . . . . 0.0 110.298 179.991 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . 0.419 ' C ' ' O ' ' A' ' 71' ' ' GLU . 3.3 mmtm -39.24 135.94 0.94 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.456 1.097 . . . . 0.0 109.337 179.889 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -63.79 166.26 7.42 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.51 1.132 . . . . 0.0 109.346 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . 0.423 ' N ' ' HB2' ' A' ' 66' ' ' PRO . 4.8 t70 -66.67 147.25 53.53 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.483 1.115 . . . . 0.0 109.326 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 88.83 -48.91 3.55 Favored Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.583 1.177 . . . . 0.0 111.015 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -76.01 -32.65 59.5 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.461 0.742 . . . . 0.0 109.29 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 57.6 t80 -72.05 -53.36 13.11 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.51 1.131 . . . . 0.0 111.082 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 16.6 pt20 -55.13 -32.99 62.51 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.477 1.111 . . . . 0.0 110.306 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.87 -39.3 72.96 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.5 1.125 . . . . 0.0 109.294 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' TRP . . . . . 0.523 ' CD1' HD21 ' A' ' 84' ' ' LEU . 39.7 t90 -58.72 -49.89 75.93 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.593 1.183 . . . . 0.0 107.997 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 3.3 t80 -66.31 -27.78 68.17 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.471 1.107 . . . . 0.0 110.937 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -77.85 0.21 24.82 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 0.0 109.32 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -117.33 6.39 16.87 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.412 1.07 . . . . 0.0 110.965 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . 0.523 HD21 ' CD1' ' A' ' 80' ' ' TRP . 0.1 OUTLIER -159.56 174.44 14.61 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.501 0.765 . . . . 0.0 109.335 179.972 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 3.8 m-20 60.47 168.08 0.08 Allowed 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.49 1.119 . . . . 0.0 109.298 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' TYR . . . . . 0.412 ' C ' ' H ' ' A' ' 88' ' ' LYS . 0.1 OUTLIER -99.46 143.62 26.77 Favored Pre-proline 0 C--N 1.326 -0.434 0 O-C-N 124.461 1.101 . . . . 0.0 110.961 -179.994 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 17.9 Cg_endo -75.06 44.9 1.26 Allowed 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.606 1.845 . . . . 0.0 110.946 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . 0.412 ' H ' ' C ' ' A' ' 86' ' ' TYR . 0.0 OUTLIER -127.77 0.96 6.07 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.596 1.185 . . . . 0.0 109.296 -179.999 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . 0.402 HD12 ' N ' ' A' ' 90' ' ' PRO . 0.1 OUTLIER -105.6 137.27 19.26 Favored Pre-proline 0 C--N 1.324 -0.525 0 O-C-N 124.573 1.171 . . . . 0.0 109.309 179.977 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' PRO . . . . . 0.429 ' CB ' HG21 ' A' ' 61' ' ' ILE . 18.5 Cg_endo -74.94 127.32 10.64 Favored 'Trans proline' 0 C--N 1.359 1.115 0 O-C-N 124.501 1.79 . . . . 0.0 111.088 179.853 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 88.8 t -142.73 118.13 5.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.477 1.111 . . . . 0.0 109.389 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 43.4 t -109.65 136.92 44.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.477 1.111 . . . . 0.0 109.347 -179.906 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 2.3 p -124.78 118.59 26.74 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.42 1.075 . . . . 0.0 110.377 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 56.2 t0 -114.71 112.1 22.32 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.575 1.172 . . . . 0.0 109.275 -179.903 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -54.77 115.21 2.04 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.477 1.11 . . . . 0.0 109.282 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 88.23 -22.11 21.07 Favored Glycine 0 CA--C 1.529 0.921 0 O-C-N 124.498 1.124 . . . . 0.0 111.031 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 73.19 61.72 3.35 Favored Glycine 0 CA--C 1.531 1.034 0 N-CA-C 110.916 -0.874 . . . . 0.0 110.916 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 98' ' ' THR . . . . . 0.514 ' O ' ' CB ' ' A' ' 102' ' ' SER . 1.4 m -58.19 -37.53 74.93 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.526 0.78 . . . . 0.0 110.373 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 2.4 mt -72.9 -30.26 31.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.593 1.183 . . . . 0.0 109.343 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -76.62 -49.26 16.7 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.43 1.082 . . . . 0.0 109.295 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 5.6 pt20 -70.31 -29.06 65.69 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.475 1.109 . . . . 0.0 110.276 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 102' ' ' SER . . . . . 0.514 ' CB ' ' O ' ' A' ' 98' ' ' THR . 12.6 t -67.81 -34.61 77.09 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.599 1.187 . . . . 0.0 110.104 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . 0.451 ' HB3' ' CD1' ' A' ' 123' ' ' ILE . 2.6 mt -107.7 9.9 29.04 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.501 1.125 . . . . 0.0 109.314 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 15.9 t-20 50.28 68.57 0.74 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.4 1.062 . . . . 0.0 109.258 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 105' ' ' ILE . . . . . 0.48 HD12 ' CZ ' ' A' ' 31' ' ' PHE . 48.9 mt -112.49 106.44 20.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.446 1.091 . . . . 0.0 109.311 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 11.5 p -131.17 34.16 4.05 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.554 1.159 . . . . 0.0 110.062 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 2.4 p -145.83 132.91 14.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.428 1.08 . . . . 0.0 109.325 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 108' ' ' TYR . . . . . 0.582 ' CE1' ' HB3' ' A' ' 31' ' ' PHE . 21.9 m-30 -130.52 152.67 80.76 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.552 1.158 . . . . 0.0 110.957 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 109' ' ' PRO . . . . . 0.505 ' C ' ' HA ' ' A' ' 108' ' ' TYR . 18.2 Cg_endo -75.05 166.89 82.05 Favored 'Cis proline' 0 C--N 1.361 1.22 0 C-N-CA 121.04 -2.483 . . . . 0.0 111.02 0.015 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 1.4 m -145.51 155.79 43.31 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.483 1.114 . . . . 0.0 109.984 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 111' ' ' TRP . . . . . 0.559 ' CE3' HD21 ' A' ' 28' ' ' LEU . 88.6 m95 -129.28 142.1 50.93 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 107.991 -1.114 . . . . 0.0 107.991 -179.949 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -127.29 138.58 53.09 Favored 'General case' 0 C--N 1.323 -0.557 0 O-C-N 124.592 1.182 . . . . 0.0 109.355 179.909 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 22.3 tp -109.1 127.61 54.29 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.527 1.142 . . . . 0.0 109.3 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 114' ' ' ILE . . . . . 0.408 HG12 ' CD1' ' A' ' 29' ' ' ILE . 43.1 mm -119.78 115.76 48.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 O-C-N 124.555 1.16 . . . . 0.0 109.285 -179.956 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -43.54 167.49 0.02 OUTLIER Glycine 0 CA--C 1.529 0.946 0 O-C-N 124.445 1.091 . . . . 0.0 111.037 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 6.8 pttt -69.43 -13.64 62.47 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.487 0.757 . . . . 0.0 109.295 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -87.3 -21.65 25.62 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.547 1.154 . . . . 0.0 109.322 179.946 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . 103.2 25.02 7.63 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.508 1.13 . . . . 0.0 111.087 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 4.7 p-10 -112.21 152.61 28.19 Favored 'General case' 0 C--N 1.327 -0.394 0 O-C-N 124.492 0.76 . . . . 0.0 109.272 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 55.9 t -58.13 113.18 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.554 1.159 . . . . 0.0 109.299 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 3.2 mt-30 -86.49 -57.6 2.94 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.446 1.091 . . . . 0.0 110.341 179.931 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 2.1 ttt180 -158.22 158.16 33.98 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.537 1.148 . . . . 0.0 110.187 -179.935 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 123' ' ' ILE . . . . . 0.451 ' CD1' ' HB3' ' A' ' 103' ' ' LEU . 1.0 OUTLIER -115.01 135.38 55.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.491 1.119 . . . . 0.0 109.302 179.914 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 62.7 t -129.69 131.66 66.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.516 1.135 . . . . 0.0 109.368 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 14.9 ptmt -114.19 135.43 54.06 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.642 1.213 . . . . 0.0 109.226 -179.923 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . 123.55 -134.14 9.23 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.493 1.121 . . . . 0.0 110.948 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -152.84 153.78 33.79 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.458 0.74 . . . . 0.0 109.951 -179.93 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 128' ' ' ILE . . . . . . . . . . . . . 5.3 pt -129.63 163.52 34.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.602 1.189 . . . . 0.0 109.317 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 129' ' ' ASN . . . . . . . . . . . . . 3.1 p30 -108.58 167.97 9.66 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.573 1.171 . . . . 0.0 109.242 -179.942 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 130' ' ' GLU . . . . . 0.522 ' HB2' ' CE2' ' A' ' 49' ' ' TRP . 16.5 tt0 -50.7 -38.19 45.63 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.572 1.17 . . . . 0.0 110.279 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -57.73 -51.86 67.84 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.505 1.128 . . . . 0.0 109.293 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -51.82 -45.44 63.93 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.507 1.129 . . . . 0.0 110.275 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -64.59 -35.79 82.13 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.597 1.186 . . . . 0.0 109.291 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 2.8 mt -71.38 -52.63 17.59 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.415 1.072 . . . . 0.0 109.319 179.933 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -53.38 -21.58 6.08 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.473 1.108 . . . . 0.0 109.333 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -76.65 -41.89 44.06 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.445 1.091 . . . . 0.0 109.305 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 137' ' ' ILE . . . . . . . . . . . . . 1.4 mt -81.83 -30.15 10.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 O-C-N 124.497 1.123 . . . . 0.0 109.307 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.46 -47.86 18.61 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.535 1.147 . . . . 0.0 110.276 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 139' ' ' ASP . . . . . 0.442 ' HB3' ' CB ' ' A' ' 142' ' ' ALA . 13.4 t0 -91.7 115.63 64.9 Favored Pre-proline 0 C--N 1.324 -0.525 0 O-C-N 124.54 1.15 . . . . 0.0 109.393 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -74.98 -12.97 21.58 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.555 1.819 . . . . 0.0 110.997 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 141' ' ' ASN . . . . . . . . . . . . . 71.2 m-80 -91.66 -15.62 28.22 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.405 1.065 . . . . 0.0 109.261 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 142' ' ' ALA . . . . . 0.442 ' CB ' ' HB3' ' A' ' 139' ' ' ASP . . . -84.49 62.56 7.34 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.542 1.151 . . . . 0.0 109.35 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 143' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER 174.91 160.32 0.2 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.536 1.147 . . . . 0.0 109.315 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.324 -0.51 0 O-C-N 124.496 1.122 . . . . 0.0 109.276 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.455 ' C ' ' CG2' ' A' ' 2' ' ' VAL . 3.4 mtt . . . . . 0 N--CA 1.452 -0.345 0 CA-C-O 120.498 0.19 . . . . 0.0 111.072 . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . 0.455 ' CG2' ' C ' ' A' ' 1' ' ' MET . 2.0 t -151.94 64.13 5.61 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.527 1.142 . . . . 0.0 109.293 -179.945 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . 0.413 ' HD3' ' N ' ' A' ' 2' ' ' VAL . 18.2 Cg_endo -75.0 -29.58 8.07 Favored 'Trans proline' 0 C--N 1.358 1.064 0 O-C-N 124.527 1.804 . . . . 0.0 111.019 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . 0.453 ' O ' ' CB ' ' A' ' 8' ' ' THR . 38.2 t-80 -59.28 -59.03 6.11 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.434 1.084 . . . . 0.0 109.562 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 21.3 m -57.31 -53.18 61.07 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.465 1.103 . . . . 0.0 110.403 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -56.17 -59.14 5.36 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.521 1.138 . . . . 0.0 109.313 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' SER . . . . . 0.405 ' CB ' ' O ' ' A' ' 3' ' ' PRO . 39.3 p -57.93 -23.85 55.28 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.4 1.062 . . . . 0.0 110.027 179.943 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' THR . . . . . 0.453 ' CB ' ' O ' ' A' ' 4' ' ' HIS . 1.7 m -79.91 -15.29 57.63 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.591 1.182 . . . . 0.0 110.346 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -82.88 115.35 21.72 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.391 1.057 . . . . 0.0 109.206 -179.903 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 3.7 mmmt -101.14 149.89 23.51 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.564 1.165 . . . . 0.0 109.329 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 33.4 p -80.85 172.53 13.63 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.541 1.151 . . . . 0.0 110.412 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -70.73 -6.61 38.72 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.467 1.104 . . . . 0.0 109.276 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -99.56 16.55 22.98 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.479 1.112 . . . . 0.0 109.311 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER 56.76 40.74 28.93 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.494 1.121 . . . . 0.0 109.284 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 12.2 mmt180 -120.23 151.9 53.93 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.485 1.116 . . . . 0.0 110.301 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.07 121.7 6.71 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.473 1.776 . . . . 0.0 110.95 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -53.44 -27.94 27.46 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.509 1.13 . . . . 0.0 109.276 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -55.43 -18.76 7.55 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.551 1.157 . . . . 0.0 110.015 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 40.8 t -69.6 -25.01 27.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.533 1.145 . . . . 0.0 109.183 -179.903 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 9.9 m-85 -109.9 23.71 14.01 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.492 1.12 . . . . 0.0 110.919 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.495 ' O ' ' CG ' ' A' ' 22' ' ' LYS . 0.2 OUTLIER -142.78 119.78 11.35 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.517 1.136 . . . . 0.0 109.339 179.948 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . 0.495 ' CG ' ' O ' ' A' ' 21' ' ' LEU . 0.0 OUTLIER 163.95 -172.42 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.402 1.064 . . . . 0.0 109.355 -179.945 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.406 ' O ' ' C ' ' A' ' 24' ' ' ASP . 0.0 OUTLIER 65.63 27.26 11.45 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.545 1.153 . . . . 0.0 109.297 -179.985 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . 0.406 ' C ' ' O ' ' A' ' 23' ' ' LYS . 23.7 m-20 40.16 39.23 0.61 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.431 1.082 . . . . 0.0 109.293 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.415 ' CE ' ' O ' ' A' ' 57' ' ' SER . 6.4 mttp -103.57 162.25 20.58 Favored Pre-proline 0 C--N 1.323 -0.555 0 O-C-N 124.539 1.149 . . . . 0.0 109.343 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.7 Cg_endo -74.97 146.58 32.94 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.464 1.771 . . . . 0.0 111.057 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 3.4 m -120.97 133.26 55.27 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.564 1.165 . . . . 0.0 110.434 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.405 ' CD1' ' CD2' ' A' ' 136' ' ' LEU . 8.6 tt -110.98 142.92 42.47 Favored 'General case' 0 C--N 1.323 -0.565 0 O-C-N 124.455 1.097 . . . . 0.0 109.337 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . 0.474 ' CG2' HG21 ' A' ' 63' ' ' VAL . 4.0 mm -118.39 147.44 21.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.504 1.127 . . . . 0.0 109.27 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.524 ' HG3' ' CD2' ' A' ' 111' ' ' TRP . 0.0 OUTLIER -138.87 113.35 8.93 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.5 1.125 . . . . 0.0 109.365 -179.971 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . 0.564 ' HB3' ' CE1' ' A' ' 108' ' ' TYR . 35.7 m-85 -90.18 126.44 35.81 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.444 1.09 . . . . 0.0 110.956 -179.933 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' TRP . . . . . 0.46 ' CD1' ' HB ' ' A' ' 62' ' ' THR . 5.7 p-90 -132.42 166.6 21.63 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.577 1.173 . . . . 0.0 108.022 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -133.73 156.02 48.7 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.421 1.076 . . . . 0.0 109.302 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' SER . . . . . 0.6 ' OG ' ' CH2' ' A' ' 80' ' ' TRP . 6.3 t -78.68 -24.79 44.87 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.5 1.125 . . . . 0.0 110.027 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 20.1 p-90 -81.31 -6.86 59.35 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.474 1.109 . . . . 0.0 108.016 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 48.3 t -97.45 110.6 55.42 Favored Pre-proline 0 C--N 1.326 -0.428 0 O-C-N 124.458 1.099 . . . . 0.0 108.307 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.09 -37.46 1.98 Allowed 'Trans proline' 0 C--N 1.359 1.094 0 O-C-N 124.534 1.808 . . . . 0.0 110.996 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 1.7 tt -62.41 -27.99 69.47 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 0.0 109.267 179.926 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 19.5 m -78.44 -50.13 12.22 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.527 1.142 . . . . 0.0 108.293 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.462 ' HA ' ' CD1' ' A' ' 43' ' ' LEU . 13.2 mt -51.81 -46.89 64.45 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.471 1.107 . . . . 0.0 109.189 -179.895 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 10.5 p -69.34 -25.4 64.18 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.595 1.184 . . . . 0.0 109.974 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -80.8 -24.96 38.17 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.434 1.084 . . . . 0.0 110.302 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.462 ' CD1' ' HA ' ' A' ' 40' ' ' LEU . 78.7 mt -49.2 -52.79 24.67 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.555 1.159 . . . . 0.0 109.28 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -52.6 -49.22 53.73 Favored Glycine 0 CA--C 1.529 0.915 0 O-C-N 124.53 1.143 . . . . 0.0 111.007 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . 0.492 ' HG2' ' CZ2' ' A' ' 49' ' ' TRP . 1.2 tt0 -63.84 -36.42 83.86 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.429 0.723 . . . . 0.0 110.258 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 8.3 m -67.72 -30.18 69.61 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.415 1.072 . . . . 0.0 110.397 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . 0.401 ' OE2' ' C ' ' A' ' 88' ' ' LYS . 22.2 tt0 -67.42 -36.93 82.23 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.377 1.048 . . . . 0.0 110.216 -179.897 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 3.6 tttt -78.51 -30.15 47.01 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.496 1.123 . . . . 0.0 109.227 -179.913 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' TRP . . . . . 0.492 ' CZ2' ' HG2' ' A' ' 45' ' ' GLN . 46.6 m0 -77.47 -30.16 53.04 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.494 1.121 . . . . 0.0 108.03 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -76.59 -15.86 59.73 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.571 1.169 . . . . 0.0 109.273 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -112.53 5.72 18.1 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.553 1.158 . . . . 0.0 110.286 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . 0.408 ' O ' ' N ' ' A' ' 56' ' ' SER . 1.4 t0 -75.09 129.12 37.04 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.526 1.141 . . . . 0.0 109.274 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -51.3 -50.71 58.82 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.582 1.176 . . . . 0.0 109.291 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -49.73 -43.41 47.79 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.507 1.129 . . . . 0.0 109.343 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . 0.485 ' CZ ' ' CB ' ' A' ' 133' ' ' ALA . 0.1 OUTLIER -77.0 -27.84 54.81 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.515 1.135 . . . . 0.0 111.006 179.981 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' SER . . . . . 0.408 ' N ' ' O ' ' A' ' 52' ' ' ASP . 9.5 t -46.43 -36.94 7.04 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.374 1.047 . . . . 0.0 110.006 179.928 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' SER . . . . . 0.415 ' O ' ' CE ' ' A' ' 25' ' ' LYS . 12.5 t -39.04 -54.4 1.7 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.476 1.11 . . . . 0.0 110.055 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -108.71 165.26 11.68 Favored 'General case' 0 N--CA 1.451 -0.422 0 O-C-N 124.352 1.032 . . . . 0.0 109.329 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 18.6 m-20 -89.42 122.7 32.87 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.426 1.079 . . . . 0.0 109.39 179.93 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.5 ' C ' ' CD2' ' A' ' 60' ' ' LEU . 2.8 tt -113.05 133.15 55.11 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.436 1.085 . . . . 0.0 109.301 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . 0.422 ' HA ' ' HG2' ' A' ' 90' ' ' PRO . 15.0 pt -151.51 160.66 3.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.526 1.141 . . . . 0.0 109.349 179.943 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' THR . . . . . 0.46 ' HB ' ' CD1' ' A' ' 32' ' ' TRP . 47.3 p -112.75 147.83 36.03 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.505 1.128 . . . . 0.0 110.374 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . 0.474 HG21 ' CG2' ' A' ' 29' ' ' ILE . 2.2 t -118.17 144.25 26.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.451 1.094 . . . . 0.0 109.337 179.944 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . 0.466 ' N ' ' O ' ' A' ' 92' ' ' VAL . . . -134.38 142.36 47.16 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.402 1.064 . . . . 0.0 109.393 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' SER . . . . . 0.466 ' CB ' ' HB3' ' A' ' 68' ' ' PHE . 19.9 m -119.36 108.62 39.65 Favored Pre-proline 0 C--N 1.324 -0.518 0 O-C-N 124.47 1.106 . . . . 0.0 109.961 -179.939 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . 0.421 ' HB2' ' N ' ' A' ' 74' ' ' ASP . 18.4 Cg_endo -75.04 137.12 21.2 Favored 'Trans proline' 0 C--N 1.359 1.111 0 O-C-N 124.559 1.82 . . . . 0.0 110.955 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 68.19 8.53 54.88 Favored Glycine 0 CA--C 1.532 1.127 0 O-C-N 124.489 1.118 . . . . 0.0 110.952 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . 0.466 ' HB3' ' CB ' ' A' ' 65' ' ' SER . 52.3 t80 -118.95 132.13 56.06 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.572 0.807 . . . . 0.0 111.017 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER 69.99 41.98 1.06 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.508 1.13 . . . . 0.0 109.234 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 51.2 m80 62.35 19.6 11.2 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.435 1.084 . . . . 0.0 109.538 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 29.3 tp10 -82.89 161.35 21.91 Favored 'General case' 0 C--N 1.323 -0.545 0 O-C-N 124.558 1.162 . . . . 0.0 110.32 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.9 140.56 58.29 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.542 1.151 . . . . 0.0 109.249 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 44.7 tttt -64.78 160.79 19.41 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.54 1.15 . . . . 0.0 109.281 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . 0.421 ' N ' ' HB2' ' A' ' 66' ' ' PRO . 0.0 OUTLIER -59.85 146.03 43.47 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.507 1.129 . . . . 0.0 109.229 -179.987 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 87.79 -36.12 3.41 Favored Glycine 0 CA--C 1.529 0.917 0 O-C-N 124.533 1.146 . . . . 0.0 111.014 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -76.23 -58.45 3.28 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.462 0.742 . . . . 0.0 109.281 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 8.7 t80 -57.31 -30.23 64.58 Favored 'General case' 0 C--N 1.323 -0.558 0 O-C-N 124.434 1.084 . . . . 0.0 110.952 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 9.2 mt-30 -74.1 -29.93 62.09 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.495 1.122 . . . . 0.0 110.324 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.04 -30.3 39.4 Favored 'General case' 0 C--N 1.323 -0.549 0 O-C-N 124.432 1.082 . . . . 0.0 109.294 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' TRP . . . . . 0.6 ' CH2' ' OG ' ' A' ' 34' ' ' SER . 15.2 t90 -70.34 -46.85 63.33 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.54 1.15 . . . . 0.0 108.054 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' TYR . . . . . 0.556 ' CD2' ' HB3' ' A' ' 85' ' ' ASN . 0.4 OUTLIER -63.74 -29.89 71.05 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.427 1.08 . . . . 0.0 110.933 179.956 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -59.4 -17.37 29.83 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.402 1.064 . . . . 0.0 109.252 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -103.64 -4.14 46.2 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.418 1.074 . . . . 0.0 111.012 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 2.2 pp -174.52 121.78 0.26 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.545 0.791 . . . . 0.0 109.253 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' ASN . . . . . 0.556 ' HB3' ' CD2' ' A' ' 81' ' ' TYR . 0.3 OUTLIER -170.07 166.93 9.04 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.551 1.157 . . . . 0.0 109.316 179.98 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 97.7 m-85 -111.78 111.25 54.22 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.488 1.118 . . . . 0.0 110.979 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 -2.25 12.29 Favored 'Trans proline' 0 C--N 1.361 1.206 0 O-C-N 124.5 1.789 . . . . 0.0 111.05 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . 0.401 ' C ' ' OE2' ' A' ' 47' ' ' GLU . 0.8 OUTLIER -113.54 19.68 16.64 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.503 1.127 . . . . 0.0 109.253 179.945 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . 0.464 ' CD1' ' HD2' ' A' ' 90' ' ' PRO . 0.1 OUTLIER -136.97 136.01 20.62 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.421 1.076 . . . . 0.0 109.338 179.969 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' PRO . . . . . 0.464 ' HD2' ' CD1' ' A' ' 89' ' ' LEU . 18.2 Cg_endo -75.05 126.15 9.75 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.605 1.845 . . . . 0.0 111.003 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 38.3 t -135.04 120.73 30.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.489 1.118 . . . . 0.0 109.307 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . 0.466 ' O ' ' N ' ' A' ' 64' ' ' ALA . 11.6 t -117.64 137.08 52.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.518 1.137 . . . . 0.0 109.327 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 10.9 p -121.11 121.76 38.56 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.483 1.114 . . . . 0.0 110.434 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 61.8 t0 -114.92 111.18 20.76 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.438 1.086 . . . . 0.0 109.343 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 14.0 t-20 -60.79 111.93 1.83 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.507 1.129 . . . . 0.0 109.307 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . 0.427 ' O ' ' NE2' ' A' ' 101' ' ' GLN . . . 88.82 -23.61 16.28 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.4 1.063 . . . . 0.0 111.042 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 70.32 73.66 0.75 Allowed Glycine 0 CA--C 1.53 1.013 0 N-CA-C 110.966 -0.854 . . . . 0.0 110.966 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 5.2 m -63.5 -48.44 77.61 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.518 0.775 . . . . 0.0 110.44 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 3.9 mt -68.79 -38.91 79.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.497 1.123 . . . . 0.0 109.276 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . 0.413 ' O ' ' N ' ' A' ' 105' ' ' ILE . . . -61.92 -47.88 82.95 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.495 1.122 . . . . 0.0 109.284 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 101' ' ' GLN . . . . . 0.427 ' NE2' ' O ' ' A' ' 96' ' ' GLY . 65.7 mt-30 -74.46 -31.52 62.28 Favored 'General case' 0 C--N 1.323 -0.552 0 O-C-N 124.53 1.143 . . . . 0.0 110.328 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 42.4 t -66.74 -29.19 69.1 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.501 1.125 . . . . 0.0 109.998 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . 0.471 ' CD1' HG22 ' A' ' 120' ' ' VAL . 23.6 mt -108.66 8.77 27.14 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.493 1.12 . . . . 0.0 109.338 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 14.6 t-20 50.27 68.31 0.78 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.522 1.139 . . . . 0.0 109.254 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 105' ' ' ILE . . . . . 0.558 HD12 ' CZ ' ' A' ' 31' ' ' PHE . 37.7 mt -111.24 100.03 9.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.513 1.133 . . . . 0.0 109.238 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 25.2 p -125.85 34.06 4.96 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.507 1.13 . . . . 0.0 110.031 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 1.5 p -145.3 132.22 15.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.524 1.14 . . . . 0.0 109.317 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 108' ' ' TYR . . . . . 0.564 ' CE1' ' HB3' ' A' ' 31' ' ' PHE . 22.9 m-85 -131.1 152.55 80.85 Favored Pre-proline 0 C--N 1.324 -0.515 0 O-C-N 124.504 1.128 . . . . 0.0 111.033 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 109' ' ' PRO . . . . . 0.504 ' C ' ' HA ' ' A' ' 108' ' ' TYR . 18.1 Cg_endo -75.0 160.37 96.65 Favored 'Cis proline' 0 C--N 1.359 1.126 0 C-N-CA 120.942 -2.524 . . . . 0.0 110.964 0.002 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -134.67 155.79 49.9 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.56 1.163 . . . . 0.0 109.975 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 111' ' ' TRP . . . . . 0.55 ' CE3' HD13 ' A' ' 128' ' ' ILE . 39.1 m95 -134.27 138.75 45.24 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 107.962 -1.125 . . . . 0.0 107.962 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -133.06 137.55 46.45 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.552 1.157 . . . . 0.0 109.324 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 27.2 tp -109.49 122.83 48.28 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.436 1.085 . . . . 0.0 109.285 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 114' ' ' ILE . . . . . 0.455 ' N ' ' CD1' ' A' ' 114' ' ' ILE . 1.1 mp -107.78 123.43 63.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.514 1.134 . . . . 0.0 109.277 -179.936 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 115' ' ' GLY . . . . . 0.406 ' N ' ' HB2' ' A' ' 121' ' ' GLN . . . -47.41 171.6 0.04 OUTLIER Glycine 0 CA--C 1.529 0.93 0 O-C-N 124.577 1.173 . . . . 0.0 111.078 179.897 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.64 -15.3 63.17 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.452 0.736 . . . . 0.0 109.293 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -82.26 -19.89 38.67 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.513 1.133 . . . . 0.0 109.272 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 118' ' ' GLY . . . . . 0.42 ' HA2' ' CG2' ' A' ' 114' ' ' ILE . . . 98.76 23.75 11.58 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.463 1.102 . . . . 0.0 110.926 179.945 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 1.2 p-10 -115.99 153.19 32.09 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.435 0.726 . . . . 0.0 109.252 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 120' ' ' VAL . . . . . 0.471 HG22 ' CD1' ' A' ' 103' ' ' LEU . 75.6 t -56.26 114.6 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.445 1.091 . . . . 0.0 109.304 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 121' ' ' GLN . . . . . 0.406 ' HB2' ' N ' ' A' ' 115' ' ' GLY . 15.0 tt0 -94.81 -52.7 4.15 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.544 1.153 . . . . 0.0 110.239 -179.927 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -152.39 141.09 20.91 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.497 1.123 . . . . 0.0 110.232 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 123' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -105.26 139.84 25.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.542 1.151 . . . . 0.0 109.328 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 71.4 t -125.49 135.31 64.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 O-C-N 124.507 1.13 . . . . 0.0 109.199 -179.928 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -116.74 128.05 54.96 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.618 1.199 . . . . 0.0 109.311 179.894 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . 105.13 155.23 22.51 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.576 1.173 . . . . 0.0 110.991 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 127' ' ' SER . . . . . 0.46 ' CB ' ' HG2' ' A' ' 109' ' ' PRO . 0.2 OUTLIER -68.7 159.2 32.63 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.493 0.761 . . . . 0.0 110.025 179.976 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 128' ' ' ILE . . . . . 0.55 HD13 ' CE3' ' A' ' 111' ' ' TRP . 10.7 pt -135.2 168.07 24.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.538 1.149 . . . . 0.0 109.279 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 129' ' ' ASN . . . . . . . . . . . . . 2.0 p30 -106.4 167.32 9.92 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.562 1.163 . . . . 0.0 109.346 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 16.2 tt0 -52.32 -37.29 55.46 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.425 1.078 . . . . 0.0 110.236 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -62.29 -49.93 73.72 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.518 1.136 . . . . 0.0 109.413 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 132' ' ' GLN . . . . . 0.417 ' O ' ' N ' ' A' ' 136' ' ' LEU . 18.5 mt-30 -51.45 -42.48 61.6 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.504 1.127 . . . . 0.0 110.286 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 133' ' ' ALA . . . . . 0.485 ' CB ' ' CZ ' ' A' ' 55' ' ' PHE . . . -56.17 -39.76 72.86 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.497 1.123 . . . . 0.0 109.31 179.917 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 12.4 mt -67.87 -51.91 42.69 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.448 1.093 . . . . 0.0 109.284 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -62.6 -24.85 67.78 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.43 1.081 . . . . 0.0 109.331 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 136' ' ' LEU . . . . . 0.417 ' N ' ' O ' ' A' ' 132' ' ' GLN . 12.4 tp -73.97 -44.07 56.03 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.455 1.097 . . . . 0.0 109.264 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 137' ' ' ILE . . . . . 0.468 ' CD1' ' O ' ' A' ' 133' ' ' ALA . 4.7 mt -75.03 -18.43 16.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 O-C-N 124.481 1.113 . . . . 0.0 109.381 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -84.8 -47.55 10.27 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.548 1.155 . . . . 0.0 110.264 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 7.9 t0 -163.83 125.01 1.47 Allowed Pre-proline 0 C--N 1.326 -0.43 0 O-C-N 124.432 1.083 . . . . 0.0 109.283 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.08 -14.45 20.96 Favored 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.471 1.774 . . . . 0.0 110.964 -179.94 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 141' ' ' ASN . . . . . . . . . . . . . 42.5 m-80 -76.3 -25.04 54.43 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.516 1.135 . . . . 0.0 109.396 179.878 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -47.47 148.84 1.26 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.584 1.178 . . . . 0.0 109.218 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 143' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -48.5 142.94 5.34 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.512 1.132 . . . . 0.0 109.293 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 144' ' ' LEU . . . . . 0.418 ' N ' ' CD1' ' A' ' 144' ' ' LEU . 0.1 OUTLIER . . . . . 0 C--N 1.324 -0.503 0 O-C-N 124.506 1.129 . . . . 0.0 109.35 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.452 -0.361 0 CA-C-O 120.579 0.228 . . . . 0.0 111.008 . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . 0.45 ' N ' ' HD3' ' A' ' 3' ' ' PRO . 0.1 OUTLIER -160.99 62.37 1.58 Allowed Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.51 1.131 . . . . 0.0 109.288 179.998 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . 0.45 ' HD3' ' N ' ' A' ' 2' ' ' VAL . 18.2 Cg_endo -74.99 -70.11 0.02 OUTLIER 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.554 1.818 . . . . 0.0 111.026 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 84.3 m-70 -49.84 -28.2 6.11 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.447 1.092 . . . . 0.0 109.569 -179.93 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 31.7 m -67.08 -56.13 11.36 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.576 1.172 . . . . 0.0 110.406 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 4.0 pp -71.8 -32.72 67.9 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.546 1.154 . . . . 0.0 109.273 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 62.2 m -72.4 -22.62 61.09 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.553 1.158 . . . . 0.0 110.069 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -71.55 -18.32 62.26 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.508 1.13 . . . . 0.0 110.458 179.908 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.471 ' CD1' ' CD1' ' A' ' 99' ' ' ILE . 62.5 mt -78.72 153.65 30.7 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.505 1.128 . . . . 0.0 109.228 -179.939 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 59.9 mttt -142.09 154.65 45.08 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.519 1.137 . . . . 0.0 109.342 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 41.5 p -91.9 175.16 6.98 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.476 1.11 . . . . 0.0 110.462 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -70.98 -7.54 46.89 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.551 1.157 . . . . 0.0 109.292 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -104.06 24.83 10.78 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.489 1.118 . . . . 0.0 109.326 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER 47.44 57.27 6.01 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.472 1.107 . . . . 0.0 109.259 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -133.34 153.41 80.54 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.458 1.099 . . . . 0.0 110.309 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 126.93 10.31 Favored 'Trans proline' 0 C--N 1.361 1.184 0 O-C-N 124.52 1.8 . . . . 0.0 110.97 -179.894 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -58.9 -29.02 66.74 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.453 1.095 . . . . 0.0 109.279 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 23.3 t -50.56 -22.33 1.93 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.521 1.138 . . . . 0.0 109.954 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 6.2 t -61.82 -26.41 39.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.563 1.164 . . . . 0.0 109.316 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 15.1 m-85 -105.86 21.57 17.07 Favored 'General case' 0 C--N 1.327 -0.409 0 O-C-N 124.481 1.113 . . . . 0.0 110.961 -179.936 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -137.49 101.43 4.5 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.508 1.13 . . . . 0.0 109.315 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 174.18 -165.19 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.567 1.167 . . . . 0.0 109.294 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.41 ' O ' ' C ' ' A' ' 24' ' ' ASP . 0.0 OUTLIER 61.04 23.19 13.39 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.445 1.091 . . . . 0.0 109.288 179.945 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . 0.41 ' C ' ' O ' ' A' ' 23' ' ' LYS . 5.4 m-20 39.57 38.84 0.44 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.508 1.13 . . . . 0.0 109.293 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -109.35 161.08 25.29 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.434 1.084 . . . . 0.0 109.265 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.98 146.31 32.59 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.45 1.763 . . . . 0.0 110.971 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 98.3 m -118.15 142.24 47.65 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.4 1.062 . . . . 0.0 110.426 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.485 HD21 ' CZ3' ' A' ' 111' ' ' TRP . 13.7 tp -123.71 124.13 42.06 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.529 1.143 . . . . 0.0 109.328 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 3.0 mt -109.67 148.01 13.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.566 1.166 . . . . 0.0 109.263 -179.936 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.571 ' HB2' ' CE3' ' A' ' 111' ' ' TRP . 0.9 OUTLIER -139.09 113.91 9.26 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.564 1.165 . . . . 0.0 109.302 179.972 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . 0.604 ' CE1' ' CD1' ' A' ' 105' ' ' ILE . 47.5 m-85 -83.38 142.04 31.31 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.524 1.14 . . . . 0.0 111.007 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' TRP . . . . . 0.575 ' CH2' HD23 ' A' ' 43' ' ' LEU . 0.4 OUTLIER -162.34 150.6 14.58 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 107.991 -1.114 . . . . 0.0 107.991 179.965 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -105.99 156.67 18.16 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.442 1.089 . . . . 0.0 109.279 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' SER . . . . . 0.569 ' HB3' ' CZ3' ' A' ' 80' ' ' TRP . 0.6 OUTLIER -76.07 -32.6 59.35 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.544 1.153 . . . . 0.0 110.032 179.985 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 33.8 p-90 -69.32 -13.61 62.47 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.556 1.16 . . . . 0.0 107.972 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 49.2 t -82.14 120.8 78.05 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.536 1.147 . . . . 0.0 108.255 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.95 -53.99 0.09 OUTLIER 'Trans proline' 0 C--N 1.361 1.205 0 O-C-N 124.553 1.818 . . . . 0.0 111.06 179.909 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 5.4 tt -47.93 -32.81 6.82 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.49 1.119 . . . . 0.0 109.354 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 97.5 m -78.76 -43.29 25.92 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.526 1.141 . . . . 0.0 108.265 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.407 ' O ' ' HB2' ' A' ' 43' ' ' LEU . 17.2 mt -52.16 -56.12 16.61 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.48 1.112 . . . . 0.0 109.353 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 24.5 p -57.81 -24.1 55.73 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.566 1.166 . . . . 0.0 109.983 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -76.52 -13.09 60.11 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.452 1.095 . . . . 0.0 110.312 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.575 HD23 ' CH2' ' A' ' 32' ' ' TRP . 24.1 mt -46.39 -49.0 18.55 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.549 1.156 . . . . 0.0 109.227 -179.934 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -77.44 -42.7 17.53 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.512 1.133 . . . . 0.0 110.948 -179.919 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 13.4 tt0 -56.82 -35.92 69.34 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.506 0.768 . . . . 0.0 110.298 -179.931 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 89.6 m -74.01 -40.73 62.72 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.479 1.112 . . . . 0.0 110.437 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . 0.426 ' CG ' ' HB2' ' A' ' 89' ' ' LEU . 0.0 OUTLIER -55.22 -38.1 68.01 Favored 'General case' 0 C--N 1.327 -0.398 0 O-C-N 124.479 1.112 . . . . 0.0 110.301 179.948 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.41 ' HG3' ' N ' ' A' ' 49' ' ' TRP . 10.9 ptmt -78.27 -38.23 43.21 Favored 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.605 1.191 . . . . 0.0 109.315 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' TRP . . . . . 0.461 ' O ' ' CD2' ' A' ' 55' ' ' PHE . 34.5 m0 -64.55 -33.98 77.17 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.461 1.101 . . . . 0.0 108.042 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -79.37 -8.79 59.35 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.534 1.146 . . . . 0.0 109.334 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 1.3 mm-40 -102.54 -10.13 19.58 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.441 1.088 . . . . 0.0 110.267 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.6 t0 -65.01 132.05 48.22 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.5 1.125 . . . . 0.0 109.284 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -59.25 -50.92 72.15 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.445 1.091 . . . . 0.0 109.286 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -48.5 -36.79 15.92 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.453 1.095 . . . . 0.0 109.234 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . 0.564 ' CZ ' ' HB2' ' A' ' 133' ' ' ALA . 0.2 OUTLIER -77.02 -30.49 55.84 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.488 1.118 . . . . 0.0 110.994 179.994 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' SER . . . . . 0.402 ' O ' ' C ' ' A' ' 57' ' ' SER . 1.4 t -46.04 -42.61 13.59 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.615 1.197 . . . . 0.0 110.047 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' SER . . . . . 0.402 ' C ' ' O ' ' A' ' 56' ' ' SER . 1.3 t -38.45 -58.42 1.02 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.423 1.077 . . . . 0.0 110.046 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . 0.427 ' O ' ' O ' ' A' ' 55' ' ' PHE . . . -103.3 166.53 10.37 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.39 1.056 . . . . 0.0 109.229 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 86.2 m-20 -88.8 136.35 33.05 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.439 1.087 . . . . 0.0 109.306 179.93 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.441 HD11 ' CZ ' ' A' ' 55' ' ' PHE . 4.2 tt -124.54 126.37 45.72 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.504 1.128 . . . . 0.0 109.305 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . 0.408 ' HA ' ' HG2' ' A' ' 90' ' ' PRO . 12.1 pt -152.38 160.3 3.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.533 1.146 . . . . 0.0 109.293 179.943 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' THR . . . . . 0.457 ' HB ' ' NE1' ' A' ' 32' ' ' TRP . 28.1 p -109.74 158.08 18.48 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.472 1.108 . . . . 0.0 110.389 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 3.6 t -122.87 142.28 40.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 O-C-N 124.5 1.125 . . . . 0.0 109.276 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . 0.45 ' N ' ' O ' ' A' ' 92' ' ' VAL . . . -134.66 125.52 27.28 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.578 1.174 . . . . 0.0 109.248 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' SER . . . . . 0.468 ' CB ' ' HB3' ' A' ' 68' ' ' PHE . 8.3 m -101.75 107.66 52.77 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.542 1.151 . . . . 0.0 110.013 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . 0.412 ' HB2' ' N ' ' A' ' 74' ' ' ASP . 18.3 Cg_endo -75.01 135.53 19.18 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.529 1.805 . . . . 0.0 110.955 -179.944 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 67.46 12.45 61.32 Favored Glycine 0 CA--C 1.531 1.078 0 O-C-N 124.5 1.125 . . . . 0.0 111.065 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . 0.468 ' HB3' ' CB ' ' A' ' 65' ' ' SER . 72.4 t80 -125.23 137.79 54.11 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.59 0.818 . . . . 0.0 110.998 179.939 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER 63.45 48.6 3.43 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.455 1.097 . . . . 0.0 109.318 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 65.4 m170 51.09 33.79 9.83 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.575 1.172 . . . . 0.0 109.57 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . 0.409 ' HG3' ' N ' ' A' ' 72' ' ' LYS . 21.5 tp10 -97.74 156.36 16.6 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.558 1.161 . . . . 0.0 110.309 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . 0.409 ' N ' ' HG3' ' A' ' 71' ' ' GLU . 0.2 OUTLIER -60.69 138.97 58.02 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.494 1.121 . . . . 0.0 109.319 -179.967 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 10.7 mttt -62.35 165.64 5.82 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.425 1.078 . . . . 0.0 109.383 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . 0.412 ' N ' ' HB2' ' A' ' 66' ' ' PRO . 0.6 OUTLIER -63.29 151.81 39.58 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.441 1.088 . . . . 0.0 109.368 179.997 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 83.9 -52.62 4.75 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.56 1.163 . . . . 0.0 111.045 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -73.82 -29.94 62.43 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.364 0.684 . . . . 0.0 109.193 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' PHE . . . . . 0.534 ' CE2' ' CE1' ' A' ' 81' ' ' TYR . 10.4 t80 -77.63 -57.13 3.98 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.459 1.099 . . . . 0.0 110.988 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 15.4 pt20 -51.95 -28.17 15.67 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.56 1.163 . . . . 0.0 110.299 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -71.61 -48.34 48.69 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.519 1.137 . . . . 0.0 109.328 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' TRP . . . . . 0.569 ' CZ3' ' HB3' ' A' ' 34' ' ' SER . 5.4 t90 -59.98 -53.82 53.34 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.472 1.107 . . . . 0.0 108.045 179.909 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' TYR . . . . . 0.534 ' CE1' ' CE2' ' A' ' 77' ' ' PHE . 0.6 OUTLIER -60.63 -28.8 68.82 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.467 1.104 . . . . 0.0 110.988 -179.996 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -72.69 -18.64 61.52 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.494 1.121 . . . . 0.0 109.298 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -90.8 -17.96 49.67 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.554 1.159 . . . . 0.0 111.007 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 76.8 mt -69.85 164.4 23.78 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.531 0.783 . . . . 0.0 109.262 -179.894 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 17.1 m-20 -86.03 -176.28 5.9 Favored 'General case' 0 C--N 1.323 -0.549 0 O-C-N 124.586 1.179 . . . . 0.0 109.295 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' TYR . . . . . 0.428 ' N ' ' HD3' ' A' ' 87' ' ' PRO . 36.7 m-85 52.69 62.37 10.25 Favored Pre-proline 0 C--N 1.323 -0.549 0 O-C-N 124.523 1.139 . . . . 0.0 110.941 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' PRO . . . . . 0.428 ' HD3' ' N ' ' A' ' 86' ' ' TYR . 18.2 Cg_endo -74.97 1.36 7.82 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.515 1.797 . . . . 0.0 110.999 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -89.15 8.8 28.17 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.486 1.117 . . . . 0.0 109.243 -179.944 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . 0.426 ' HB2' ' CG ' ' A' ' 47' ' ' GLU . 0.2 OUTLIER -95.63 140.54 22.38 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.504 1.128 . . . . 0.0 109.326 179.952 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' PRO . . . . . 0.408 ' HG2' ' HA ' ' A' ' 61' ' ' ILE . 18.4 Cg_endo -74.95 127.33 10.63 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.528 1.804 . . . . 0.0 110.976 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 54.9 t -138.54 120.05 16.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.543 1.152 . . . . 0.0 109.195 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . 0.45 ' O ' ' N ' ' A' ' 64' ' ' ALA . 39.8 t -114.47 130.81 68.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.413 1.071 . . . . 0.0 109.219 -179.922 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 2.4 p -112.9 116.76 30.51 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.505 1.128 . . . . 0.0 110.399 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 63.4 t0 -114.85 111.25 20.91 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.582 1.176 . . . . 0.0 109.317 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -58.87 115.11 2.89 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.515 1.135 . . . . 0.0 109.321 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 85.15 -14.74 48.16 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.505 1.128 . . . . 0.0 110.994 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 59.93 67.4 2.18 Favored Glycine 0 CA--C 1.531 1.053 0 N-CA-C 110.961 -0.855 . . . . 0.0 110.961 -179.934 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 98' ' ' THR . . . . . 0.422 ' O ' ' N ' ' A' ' 102' ' ' SER . 1.3 m -53.59 -43.17 68.37 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.5 0.765 . . . . 0.0 110.394 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 99' ' ' ILE . . . . . 0.471 ' CD1' ' CD1' ' A' ' 9' ' ' LEU . 3.5 mt -70.14 -44.73 77.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.524 1.14 . . . . 0.0 109.311 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -57.72 -41.02 80.94 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.645 1.216 . . . . 0.0 109.269 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 2.7 mt-30 -80.34 -37.86 31.68 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.525 1.14 . . . . 0.0 110.244 -179.946 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 102' ' ' SER . . . . . 0.422 ' N ' ' O ' ' A' ' 98' ' ' THR . 47.2 t -61.17 -40.24 93.12 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.496 1.123 . . . . 0.0 109.954 -179.917 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 64.9 mt -85.08 -15.98 42.15 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.398 1.061 . . . . 0.0 109.314 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 46.4 t30 67.67 52.63 0.74 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.495 1.122 . . . . 0.0 109.25 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 105' ' ' ILE . . . . . 0.604 ' CD1' ' CE1' ' A' ' 31' ' ' PHE . 84.9 mt -78.22 -100.63 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.437 1.086 . . . . 0.0 109.297 179.928 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 106' ' ' SER . . . . . 0.463 ' CB ' ' O ' ' A' ' 105' ' ' ILE . 3.2 p 82.54 -6.64 1.32 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.459 1.099 . . . . 0.0 110.083 -179.915 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 2.2 p -119.98 131.82 71.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.52 1.138 . . . . 0.0 109.24 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 108' ' ' TYR . . . . . 0.586 ' CE1' ' HB3' ' A' ' 31' ' ' PHE . 22.4 m-85 -131.54 153.74 81.65 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.552 1.157 . . . . 0.0 110.947 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 109' ' ' PRO . . . . . 0.508 ' C ' ' HA ' ' A' ' 108' ' ' TYR . 18.4 Cg_endo -75.06 167.49 80.27 Favored 'Cis proline' 0 C--N 1.359 1.112 0 C-N-CA 121.015 -2.494 . . . . 0.0 110.918 -0.038 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -142.58 166.0 25.85 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.433 1.083 . . . . 0.0 110.058 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 111' ' ' TRP . . . . . 0.571 ' CE3' ' HB2' ' A' ' 30' ' ' LYS . 76.9 m95 -141.93 141.23 32.95 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.593 1.183 . . . . 0.0 108.009 -179.949 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -133.51 135.88 44.71 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.472 1.108 . . . . 0.0 109.282 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 49.4 tp -108.73 133.94 52.13 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.523 1.139 . . . . 0.0 109.285 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 20.1 mm -122.38 128.13 75.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.492 1.12 . . . . 0.0 109.279 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 115' ' ' GLY . . . . . 0.405 ' CA ' ' HG2' ' A' ' 121' ' ' GLN . . . -52.58 168.16 0.88 Allowed Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.437 1.085 . . . . 0.0 110.906 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.18 -7.41 49.02 Favored 'General case' 0 C--N 1.327 -0.406 0 O-C-N 124.426 0.721 . . . . 0.0 109.269 -179.9 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 9.9 m-20 -103.72 1.43 31.78 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.481 1.113 . . . . 0.0 109.347 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . 80.74 33.77 29.6 Favored Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.512 1.133 . . . . 0.0 111.022 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 2.1 p30 -117.58 135.52 53.91 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.526 0.78 . . . . 0.0 109.298 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 53.0 t -44.68 116.19 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.473 1.108 . . . . 0.0 109.245 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 121' ' ' GLN . . . . . 0.405 ' HG2' ' CA ' ' A' ' 115' ' ' GLY . 5.3 mm-40 -93.02 -62.12 1.44 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.449 1.093 . . . . 0.0 110.27 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 2.7 tpt85 -158.28 137.49 11.61 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.434 1.084 . . . . 0.0 110.329 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 123' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -98.39 137.46 25.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.528 1.142 . . . . 0.0 109.366 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 42.3 t -124.94 130.88 73.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.473 1.108 . . . . 0.0 109.298 -179.935 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -116.2 134.12 55.26 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.503 1.127 . . . . 0.0 109.313 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . 115.11 -154.04 17.24 Favored Glycine 0 CA--C 1.532 1.099 0 O-C-N 124.414 1.071 . . . . 0.0 110.959 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -124.44 138.0 54.39 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.597 0.821 . . . . 0.0 109.964 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 128' ' ' ILE . . . . . . . . . . . . . 11.3 pt -115.67 162.62 13.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.541 1.151 . . . . 0.0 109.328 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 129' ' ' ASN . . . . . . . . . . . . . 2.2 p30 -108.92 167.57 9.99 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.458 1.099 . . . . 0.0 109.323 179.921 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 4.6 tt0 -47.28 -49.3 23.97 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.5 1.125 . . . . 0.0 110.28 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -48.51 -53.91 16.34 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.493 1.121 . . . . 0.0 109.285 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -51.13 -46.7 62.02 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.543 1.152 . . . . 0.0 110.326 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 133' ' ' ALA . . . . . 0.564 ' HB2' ' CZ ' ' A' ' 55' ' ' PHE . . . -51.92 -46.11 64.52 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.488 1.117 . . . . 0.0 109.308 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 12.8 mt -66.53 -53.89 29.88 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.469 1.106 . . . . 0.0 109.313 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -53.95 -28.51 37.67 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.502 1.126 . . . . 0.0 109.234 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -69.24 -45.08 70.66 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.435 1.084 . . . . 0.0 109.295 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 137' ' ' ILE . . . . . . . . . . . . . 5.9 mt -75.9 -26.24 17.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.482 1.114 . . . . 0.0 109.301 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 1.4 tpp180 -78.66 -47.53 16.83 Favored 'General case' 0 C--N 1.323 -0.557 0 O-C-N 124.605 1.19 . . . . 0.0 110.273 -179.932 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 15.2 t0 -148.63 122.16 4.67 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.472 1.108 . . . . 0.0 109.289 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -14.21 21.21 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.517 1.798 . . . . 0.0 111.047 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 141' ' ' ASN . . . . . . . . . . . . . 56.8 m-80 -77.89 -20.01 53.72 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.492 1.12 . . . . 0.0 109.301 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -71.38 102.59 2.66 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.388 1.055 . . . . 0.0 109.249 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 143' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -165.4 130.53 2.51 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.471 1.107 . . . . 0.0 109.302 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.324 -0.506 0 O-C-N 124.604 1.19 . . . . 0.0 109.252 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.513 ' O ' ' CG2' ' A' ' 2' ' ' VAL . 0.4 OUTLIER . . . . . 0 N--CA 1.453 -0.287 0 CA-C-O 120.536 0.208 . . . . 0.0 110.965 . . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . 0.513 ' CG2' ' O ' ' A' ' 1' ' ' MET . 0.9 OUTLIER 163.56 -52.19 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.437 1.085 . . . . 0.0 109.268 179.965 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . 0.506 ' CD ' ' N ' ' A' ' 2' ' ' VAL . 18.4 Cg_endo -74.97 -29.22 8.51 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.538 1.81 . . . . 0.0 111.052 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . 0.446 ' O ' ' CB ' ' A' ' 8' ' ' THR . 2.9 t-160 -76.07 -32.05 59.07 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.423 1.077 . . . . 0.0 109.639 179.934 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 16.4 m -65.16 -53.54 43.42 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.563 1.164 . . . . 0.0 110.399 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.401 ' O ' ' HB2' ' A' ' 9' ' ' LEU . 2.8 tm? -68.75 -35.79 77.54 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.42 1.075 . . . . 0.0 109.326 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' SER . . . . . 0.403 ' CB ' ' O ' ' A' ' 3' ' ' PRO . 48.5 t -74.29 -22.37 59.31 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.414 1.072 . . . . 0.0 109.919 -179.916 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' THR . . . . . 0.446 ' CB ' ' O ' ' A' ' 4' ' ' HIS . 1.0 OUTLIER -70.84 -27.06 63.57 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.416 1.072 . . . . 0.0 110.416 179.968 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.401 ' HB2' ' O ' ' A' ' 6' ' ' LEU . 1.8 mm? -47.05 144.99 2.3 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.494 1.121 . . . . 0.0 109.278 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 11.7 mttt -105.74 144.17 32.85 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.466 1.104 . . . . 0.0 109.308 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' THR . . . . . 0.486 ' CB ' ' O ' ' A' ' 91' ' ' VAL . 8.4 p -87.57 179.66 6.5 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.583 1.177 . . . . 0.0 110.33 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . 0.491 ' HB3' ' CD2' ' A' ' 81' ' ' TYR . . . -68.17 -9.18 44.83 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.532 1.145 . . . . 0.0 109.359 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . 0.448 ' N ' ' OD1' ' A' ' 13' ' ' ASP . 0.0 OUTLIER -103.81 25.51 9.75 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.457 1.098 . . . . 0.0 109.283 -179.985 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 48.08 30.93 2.26 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.467 1.104 . . . . 0.0 109.299 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . 0.403 ' HD2' ' CG2' ' A' ' 19' ' ' VAL . 0.0 OUTLIER -105.27 156.67 35.86 Favored Pre-proline 0 C--N 1.326 -0.438 0 O-C-N 124.467 1.104 . . . . 0.0 110.255 -179.964 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . 0.47 ' O ' ' CG2' ' A' ' 19' ' ' VAL . 18.1 Cg_endo -74.98 130.32 13.18 Favored 'Trans proline' 0 C--N 1.361 1.205 0 O-C-N 124.432 1.754 . . . . 0.0 111.054 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -48.35 -32.1 7.02 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.446 1.091 . . . . 0.0 109.329 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 53.2 p -49.57 -23.92 1.88 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.564 1.165 . . . . 0.0 110.036 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . 0.47 ' CG2' ' O ' ' A' ' 16' ' ' PRO . 84.7 t -53.85 -31.84 21.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.527 1.142 . . . . 0.0 109.268 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 8.2 m-85 -133.64 23.22 3.98 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.568 1.168 . . . . 0.0 110.989 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -111.45 122.25 47.34 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.481 1.113 . . . . 0.0 109.398 179.902 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -113.45 99.51 7.82 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.524 1.14 . . . . 0.0 109.324 -179.935 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.27 55.68 0.15 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.548 1.155 . . . . 0.0 109.298 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 5.9 t70 177.07 34.8 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.602 1.189 . . . . 0.0 109.228 -179.915 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 1.3 mttt -169.2 167.9 5.32 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.475 1.109 . . . . 0.0 109.322 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 135.19 18.67 Favored 'Trans proline' 0 C--N 1.358 1.064 0 O-C-N 124.531 1.806 . . . . 0.0 111.0 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' THR . . . . . 0.418 ' OG1' ' ND2' ' A' ' 59' ' ' ASN . 88.4 m -116.45 127.48 54.63 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.429 1.081 . . . . 0.0 110.391 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 14.1 tp -109.09 129.5 55.47 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.507 1.129 . . . . 0.0 109.36 179.934 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 7.9 mt -108.82 148.4 12.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.472 1.107 . . . . 0.0 109.32 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.407 ' HG3' ' CE2' ' A' ' 111' ' ' TRP . 17.6 tttp -138.66 114.6 10.06 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.514 1.134 . . . . 0.0 109.284 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . 0.589 ' HB3' ' CE1' ' A' ' 108' ' ' TYR . 54.5 m-85 -84.79 131.69 34.51 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.517 1.136 . . . . 0.0 111.065 179.908 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' TRP . . . . . 0.572 ' CD1' ' HB ' ' A' ' 62' ' ' THR . 7.8 p-90 -137.73 167.46 21.66 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.499 1.124 . . . . 0.0 108.017 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -132.36 147.82 52.4 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.461 1.101 . . . . 0.0 109.313 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -72.23 -39.04 68.8 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.421 1.075 . . . . 0.0 109.98 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 22.0 p-90 -69.99 -14.97 62.95 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 107.942 -1.133 . . . . 0.0 107.942 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 42.4 t -86.95 114.28 57.53 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.438 1.087 . . . . 0.0 108.351 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 -47.42 0.2 Allowed 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.502 1.791 . . . . 0.0 111.013 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -53.95 -27.78 33.26 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.491 1.12 . . . . 0.0 109.271 179.937 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . 0.414 ' O ' ' N ' ' A' ' 43' ' ' LEU . 1.8 m -77.59 -54.38 6.47 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.375 1.047 . . . . 0.0 108.312 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 19.5 mt -51.23 -46.88 62.42 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.513 1.133 . . . . 0.0 109.361 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 9.0 p -62.75 -25.19 68.08 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.569 1.168 . . . . 0.0 110.038 179.917 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -87.38 -31.53 20.06 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.546 1.154 . . . . 0.0 110.354 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.523 HD12 ' CE2' ' A' ' 32' ' ' TRP . 0.2 OUTLIER -45.42 -51.72 11.04 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.529 1.143 . . . . 0.0 109.393 179.89 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -53.26 -49.84 54.66 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.477 1.11 . . . . 0.0 111.022 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . 0.404 ' HG3' ' CE2' ' A' ' 49' ' ' TRP . 5.1 tp60 -63.11 -32.87 74.35 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.48 0.753 . . . . 0.0 110.245 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 24.6 m -66.91 -34.16 77.17 Favored 'General case' 0 C--N 1.323 -0.562 0 O-C-N 124.551 1.157 . . . . 0.0 110.408 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . 0.469 ' CG ' ' HB2' ' A' ' 89' ' ' LEU . 31.6 tt0 -69.51 -31.88 70.39 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.484 1.115 . . . . 0.0 110.307 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.422 ' O ' ' CG ' ' A' ' 51' ' ' GLN . 3.5 tttt -78.06 -36.33 48.48 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.434 1.084 . . . . 0.0 109.35 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' TRP . . . . . 0.543 ' CZ2' ' HB2' ' A' ' 130' ' ' GLU . 47.4 m0 -75.63 -27.89 58.59 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.48 1.113 . . . . 0.0 108.004 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -67.42 -12.59 60.61 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.549 1.156 . . . . 0.0 109.325 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . 0.422 ' CG ' ' O ' ' A' ' 48' ' ' LYS . 5.5 pt20 -113.63 -1.84 13.94 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.57 1.169 . . . . 0.0 110.285 -179.941 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -68.44 121.75 16.99 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.489 1.118 . . . . 0.0 109.322 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -47.87 -50.58 26.05 Favored 'General case' 0 C--N 1.323 -0.548 0 O-C-N 124.62 1.2 . . . . 0.0 109.286 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . 0.431 ' HB3' ' CD2' ' A' ' 134' ' ' LEU . 0.1 OUTLIER -48.72 -39.45 24.8 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.455 1.097 . . . . 0.0 109.401 179.914 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . 0.572 ' CE1' HD13 ' A' ' 60' ' ' LEU . 0.1 OUTLIER -77.2 -27.72 53.66 Favored 'General case' 0 C--N 1.327 -0.403 0 O-C-N 124.509 1.131 . . . . 0.0 111.043 179.934 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 8.0 t -46.09 -38.84 8.54 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.477 1.111 . . . . 0.0 110.023 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 5.2 t -40.09 -51.91 2.57 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.519 1.137 . . . . 0.0 109.925 -179.926 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -112.72 165.8 11.94 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.505 1.128 . . . . 0.0 109.292 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . 0.418 ' ND2' ' OG1' ' A' ' 27' ' ' THR . 1.3 m-20 -89.0 123.55 33.43 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.502 1.126 . . . . 0.0 109.286 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.572 HD13 ' CE1' ' A' ' 55' ' ' PHE . 2.4 tt -109.93 127.36 54.71 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.558 1.161 . . . . 0.0 109.262 -179.932 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . 0.42 ' CG2' ' O ' ' A' ' 60' ' ' LEU . 1.0 OUTLIER -153.5 162.22 2.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 O-C-N 124.45 1.094 . . . . 0.0 109.341 179.97 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' THR . . . . . 0.572 ' HB ' ' CD1' ' A' ' 32' ' ' TRP . 32.7 p -114.76 148.98 37.61 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.418 1.074 . . . . 0.0 110.414 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 2.2 t -122.95 145.06 30.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.525 1.141 . . . . 0.0 109.269 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -134.66 148.51 50.37 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.587 1.179 . . . . 0.0 109.295 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' SER . . . . . 0.438 ' CB ' ' HB3' ' A' ' 68' ' ' PHE . 38.5 m -123.52 108.77 31.11 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.492 1.12 . . . . 0.0 109.913 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 136.37 20.38 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.558 1.82 . . . . 0.0 110.997 179.899 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 72.22 2.49 53.89 Favored Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.511 1.132 . . . . 0.0 110.974 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . 0.438 ' HB3' ' CB ' ' A' ' 65' ' ' SER . 17.1 t80 -115.11 126.6 54.84 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.537 0.786 . . . . 0.0 111.054 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.654 ' CD2' ' CE2' ' A' ' 108' ' ' TYR . 1.2 mp 75.93 27.57 0.93 Allowed 'General case' 0 C--N 1.322 -0.594 0 O-C-N 124.533 1.146 . . . . 0.0 109.323 179.945 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER 64.89 23.05 12.58 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.535 1.147 . . . . 0.0 109.635 -179.916 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . 0.419 ' O ' ' C ' ' A' ' 72' ' ' LYS . 0.1 OUTLIER -86.78 144.5 27.03 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.409 1.068 . . . . 0.0 110.264 -179.939 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . 0.419 ' C ' ' O ' ' A' ' 71' ' ' GLU . 3.9 mmtp -38.8 142.7 0.19 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.522 1.138 . . . . 0.0 109.299 -179.943 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.26 165.86 23.39 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.507 1.13 . . . . 0.0 109.341 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 11.4 t70 -53.1 154.73 2.89 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.512 1.133 . . . . 0.0 109.264 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . 0.465 ' CA ' ' HG3' ' A' ' 78' ' ' GLN . . . 77.99 -52.09 3.59 Favored Glycine 0 CA--C 1.529 0.946 0 O-C-N 124.496 1.122 . . . . 0.0 111.011 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -63.64 -53.61 48.8 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.412 0.713 . . . . 0.0 109.335 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 40.5 t80 -57.42 -31.08 65.5 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.404 1.065 . . . . 0.0 110.953 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' GLN . . . . . 0.465 ' HG3' ' CA ' ' A' ' 75' ' ' GLY . 4.6 mt-30 -63.3 -39.73 95.37 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.553 1.158 . . . . 0.0 110.291 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.3 -41.06 81.47 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.494 1.122 . . . . 0.0 109.347 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' TRP . . . . . . . . . . . . . 2.7 t90 -57.79 -48.33 79.99 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.547 1.154 . . . . 0.0 107.993 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' TYR . . . . . 0.491 ' CD2' ' HB3' ' A' ' 12' ' ' ALA . 62.0 t80 -67.2 -28.14 67.84 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.536 1.147 . . . . 0.0 111.005 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -81.08 4.07 21.13 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.434 1.084 . . . . 0.0 109.317 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -118.83 1.74 15.16 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.469 1.106 . . . . 0.0 110.93 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . 0.456 ' C ' ' CD1' ' A' ' 84' ' ' LEU . 1.1 pp -159.63 169.88 22.8 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.447 0.734 . . . . 0.0 109.282 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 2.5 m120 62.88 148.28 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.367 1.042 . . . . 0.0 109.259 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' TYR . . . . . 0.513 ' CD2' ' HD2' ' A' ' 87' ' ' PRO . 0.1 OUTLIER -92.42 160.8 34.14 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.521 1.138 . . . . 0.0 110.992 -179.998 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' PRO . . . . . 0.513 ' HD2' ' CD2' ' A' ' 86' ' ' TYR . 18.3 Cg_endo -74.99 45.81 1.41 Allowed 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.497 1.788 . . . . 0.0 111.049 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . 0.4 ' H ' ' C ' ' A' ' 86' ' ' TYR . 3.1 mmtt -138.02 9.52 2.79 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.475 1.109 . . . . 0.0 109.275 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . 0.469 ' HB2' ' CG ' ' A' ' 47' ' ' GLU . 4.3 tp -112.54 129.79 24.04 Favored Pre-proline 0 C--N 1.324 -0.521 0 O-C-N 124.557 1.161 . . . . 0.0 109.384 179.945 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 127.73 10.95 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.488 1.783 . . . . 0.0 111.027 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . 0.486 ' O ' ' CB ' ' A' ' 11' ' ' THR . 53.9 t -145.83 117.63 2.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.44 1.088 . . . . 0.0 109.258 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 84.9 t -108.28 137.3 40.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 O-C-N 124.405 1.066 . . . . 0.0 109.372 179.902 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 12.4 p -120.41 119.52 33.28 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.474 1.109 . . . . 0.0 110.458 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 58.0 t0 -115.2 111.48 21.04 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.619 1.199 . . . . 0.0 109.269 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 23.2 t-20 -56.26 115.2 2.33 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.385 1.053 . . . . 0.0 109.39 179.9 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 86.58 -18.12 35.8 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.475 1.109 . . . . 0.0 111.054 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 65.98 66.09 2.57 Favored Glycine 0 CA--C 1.529 0.967 0 N-CA-C 110.963 -0.855 . . . . 0.0 110.963 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 98' ' ' THR . . . . . 0.426 ' O ' ' N ' ' A' ' 102' ' ' SER . 1.2 m -57.88 -49.11 77.81 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.383 0.696 . . . . 0.0 110.411 179.944 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 6.4 mt -65.6 -47.39 86.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.121 . . . . 0.0 109.302 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -59.31 -38.42 80.19 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.514 1.134 . . . . 0.0 109.259 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 26.6 mt-30 -77.77 -36.29 50.72 Favored 'General case' 0 C--N 1.323 -0.558 0 O-C-N 124.489 1.118 . . . . 0.0 110.247 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 102' ' ' SER . . . . . 0.426 ' N ' ' O ' ' A' ' 98' ' ' THR . 8.6 t -64.82 -30.93 71.95 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.494 1.121 . . . . 0.0 109.931 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 48.1 mt -97.23 5.1 50.62 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.575 1.172 . . . . 0.0 109.317 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 16.3 t-20 53.46 46.89 25.27 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.456 1.097 . . . . 0.0 109.256 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 105' ' ' ILE . . . . . 0.559 HD12 ' CE1' ' A' ' 31' ' ' PHE . 9.7 mt -93.86 112.53 26.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.526 1.141 . . . . 0.0 109.275 -179.947 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 11.8 p -133.69 33.28 3.5 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.467 1.104 . . . . 0.0 110.041 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 2.1 p -148.06 132.55 9.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.479 1.112 . . . . 0.0 109.32 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 108' ' ' TYR . . . . . 0.654 ' CE2' ' CD2' ' A' ' 69' ' ' LEU . 22.5 m-85 -130.34 152.92 81.05 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.499 1.124 . . . . 0.0 111.073 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 109' ' ' PRO . . . . . 0.512 ' C ' ' HA ' ' A' ' 108' ' ' TYR . 18.2 Cg_endo -75.07 161.41 94.86 Favored 'Cis proline' 0 C--N 1.36 1.144 0 C-N-CA 120.903 -2.541 . . . . 0.0 110.979 -0.0 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -136.55 163.72 29.87 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.547 1.154 . . . . 0.0 109.985 -179.931 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 111' ' ' TRP . . . . . 0.407 ' CE2' ' HG3' ' A' ' 30' ' ' LYS . 80.6 m95 -135.65 141.66 45.06 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.453 1.095 . . . . 0.0 108.121 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -132.15 138.63 48.11 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.558 1.161 . . . . 0.0 109.293 -179.907 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 20.8 tp -108.93 131.61 54.87 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.496 1.122 . . . . 0.0 109.306 179.905 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 114' ' ' ILE . . . . . 0.456 ' CD1' ' HA ' ' A' ' 120' ' ' VAL . 41.2 mm -121.57 125.79 73.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.575 1.172 . . . . 0.0 109.282 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -55.32 169.08 2.15 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.521 1.138 . . . . 0.0 110.963 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -68.83 -12.12 61.2 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.499 0.764 . . . . 0.0 109.286 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -88.63 -19.12 26.64 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.513 1.133 . . . . 0.0 109.237 -179.911 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . 99.73 23.83 10.53 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.432 1.083 . . . . 0.0 110.967 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -111.71 154.49 24.91 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.555 0.797 . . . . 0.0 109.24 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 120' ' ' VAL . . . . . 0.456 ' HA ' ' CD1' ' A' ' 114' ' ' ILE . 27.0 t -58.26 113.04 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.437 1.086 . . . . 0.0 109.334 179.863 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 4.0 tp-100 -88.39 -55.03 3.9 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.398 1.061 . . . . 0.0 110.272 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -154.24 158.43 40.24 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.517 1.136 . . . . 0.0 110.381 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 123' ' ' ILE . . . . . . . . . . . . . 3.5 tt -120.22 138.57 50.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.518 1.136 . . . . 0.0 109.365 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 57.1 t -130.96 138.42 53.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.508 1.13 . . . . 0.0 109.359 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 25.5 mttt -121.71 120.24 34.09 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.462 1.101 . . . . 0.0 109.374 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . 126.96 -168.95 18.97 Favored Glycine 0 CA--C 1.531 1.071 0 O-C-N 124.501 1.125 . . . . 0.0 110.922 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -110.03 154.71 22.81 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.481 0.754 . . . . 0.0 109.963 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 128' ' ' ILE . . . . . . . . . . . . . 9.9 pt -134.26 162.56 38.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.6 1.187 . . . . 0.0 109.29 179.915 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 129' ' ' ASN . . . . . . . . . . . . . 3.3 p-10 -102.3 172.64 6.77 Favored 'General case' 0 C--N 1.323 -0.547 0 O-C-N 124.585 1.178 . . . . 0.0 109.292 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 130' ' ' GLU . . . . . 0.543 ' HB2' ' CZ2' ' A' ' 49' ' ' TRP . 29.6 tt0 -54.91 -48.59 72.87 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.46 1.1 . . . . 0.0 110.274 -179.95 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -53.24 -51.2 62.96 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.507 1.13 . . . . 0.0 109.224 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 6.5 mt-30 -50.81 -44.72 59.14 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.463 1.102 . . . . 0.0 110.265 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 133' ' ' ALA . . . . . 0.436 ' HB1' ' CZ ' ' A' ' 55' ' ' PHE . . . -54.28 -38.82 66.29 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.566 1.166 . . . . 0.0 109.257 -179.941 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 134' ' ' LEU . . . . . 0.431 ' CD2' ' HB3' ' A' ' 54' ' ' LYS . 14.3 mt -68.93 -53.67 19.65 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.482 1.114 . . . . 0.0 109.323 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -55.47 -28.02 51.91 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.541 1.151 . . . . 0.0 109.263 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -71.95 -45.35 61.41 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.462 1.101 . . . . 0.0 109.27 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 137' ' ' ILE . . . . . . . . . . . . . 6.0 mt -75.99 -22.99 15.97 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 O-C-N 124.469 1.106 . . . . 0.0 109.246 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 138' ' ' ARG . . . . . 0.425 ' N ' ' O ' ' A' ' 134' ' ' LEU . 0.2 OUTLIER -78.09 -47.47 18.22 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.543 1.152 . . . . 0.0 110.244 -179.97 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 16.0 t0 -163.65 126.82 1.73 Allowed Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.548 1.155 . . . . 0.0 109.262 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.08 -28.0 9.42 Favored 'Trans proline' 0 C--N 1.361 1.22 0 O-C-N 124.401 1.738 . . . . 0.0 110.963 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 141' ' ' ASN . . . . . . . . . . . . . 36.2 m-80 -67.0 -13.47 61.94 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.46 1.1 . . . . 0.0 109.321 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -62.28 141.53 58.21 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.504 1.128 . . . . 0.0 109.309 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 143' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 64.77 128.74 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.532 1.145 . . . . 0.0 109.25 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 1.3 pp . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.457 1.098 . . . . 0.0 109.323 179.977 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.473 ' HB3' ' CB ' ' A' ' 4' ' ' HIS . 1.0 OUTLIER . . . . . 0 N--CA 1.453 -0.286 0 CA-C-O 120.538 0.209 . . . . 0.0 111.004 . . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . 0.557 ' N ' ' CD ' ' A' ' 3' ' ' PRO . 1.0 OUTLIER -77.32 -49.46 2.29 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.456 1.097 . . . . 0.0 109.258 -179.965 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . 0.557 ' CD ' ' N ' ' A' ' 2' ' ' VAL . 18.1 Cg_endo -75.07 1.18 8.06 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.537 1.809 . . . . 0.0 110.922 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . 0.473 ' CB ' ' HB3' ' A' ' 1' ' ' MET . 0.7 OUTLIER -71.52 -53.94 12.18 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.523 1.139 . . . . 0.0 109.64 -179.986 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' THR . . . . . 0.45 ' N ' ' HD1' ' A' ' 4' ' ' HIS . 32.9 m -81.88 -35.62 29.08 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.469 1.106 . . . . 0.0 110.455 179.923 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -54.18 -38.73 65.91 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.556 1.16 . . . . 0.0 109.341 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 54.7 p -71.05 -23.14 62.08 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.471 1.107 . . . . 0.0 110.054 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 3.8 m -86.9 -9.03 56.67 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.479 1.112 . . . . 0.0 110.33 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.413 ' CD1' ' HA ' ' A' ' 94' ' ' ASP . 3.6 mm? -76.56 157.54 31.93 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.472 1.107 . . . . 0.0 109.174 -179.909 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 6.4 mttt -137.94 149.09 45.88 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.537 1.148 . . . . 0.0 109.327 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 22.8 p -82.72 178.31 8.25 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.355 1.034 . . . . 0.0 110.429 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . 0.556 ' HB1' ' CE2' ' A' ' 81' ' ' TYR . . . -68.0 -12.12 60.18 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.424 1.077 . . . . 0.0 109.322 179.941 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -94.7 16.4 15.79 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.434 1.083 . . . . 0.0 109.282 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 55.23 34.89 23.69 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.491 1.119 . . . . 0.0 109.252 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -111.76 152.73 44.35 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.52 1.137 . . . . 0.0 110.36 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 17.9 Cg_endo -74.93 133.79 17.14 Favored 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.548 1.815 . . . . 0.0 111.004 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -54.07 -26.95 29.57 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.444 1.09 . . . . 0.0 109.32 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 44.3 t -51.96 -31.92 31.12 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.52 1.137 . . . . 0.0 110.036 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 55.9 t -59.1 -29.81 42.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.515 1.135 . . . . 0.0 109.326 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 12.2 m-85 -118.38 22.76 11.94 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.485 1.116 . . . . 0.0 110.993 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -132.5 106.82 8.08 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.468 1.105 . . . . 0.0 109.329 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -104.69 115.41 30.27 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.566 1.167 . . . . 0.0 109.361 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.58 51.75 0.37 Allowed 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.523 1.139 . . . . 0.0 109.256 -179.952 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -168.44 28.01 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.556 1.16 . . . . 0.0 109.218 179.922 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.439 ' NZ ' ' OD1' ' A' ' 59' ' ' ASN . 7.4 ptmm? -169.3 161.61 7.59 Favored Pre-proline 0 C--N 1.324 -0.536 0 O-C-N 124.54 1.15 . . . . 0.0 109.37 179.946 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 144.74 30.6 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.419 1.747 . . . . 0.0 111.03 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 20.1 m -125.23 140.91 52.43 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.523 1.139 . . . . 0.0 110.44 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 5.3 tp -121.56 136.42 54.95 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.564 1.165 . . . . 0.0 109.309 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 1.3 mt -116.18 149.95 18.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.498 1.124 . . . . 0.0 109.292 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.571 ' HB2' ' CZ3' ' A' ' 111' ' ' TRP . 1.2 tttm -136.88 121.64 18.63 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.454 1.096 . . . . 0.0 109.304 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . 0.578 ' HB3' ' CE1' ' A' ' 108' ' ' TYR . 61.0 m-85 -94.05 125.83 38.91 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.558 1.161 . . . . 0.0 111.029 179.932 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' TRP . . . . . 0.497 ' CD1' ' HB ' ' A' ' 62' ' ' THR . 9.4 p-90 -131.19 165.75 22.65 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.551 1.157 . . . . 0.0 108.024 179.94 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . 0.476 ' CB ' ' CE2' ' A' ' 35' ' ' TRP . . . -132.24 145.64 51.46 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.504 1.127 . . . . 0.0 109.295 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' SER . . . . . 0.595 ' OG ' ' CE3' ' A' ' 80' ' ' TRP . 0.1 OUTLIER -70.29 -24.47 63.04 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.458 1.099 . . . . 0.0 109.955 179.946 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' TRP . . . . . 0.476 ' CE2' ' CB ' ' A' ' 33' ' ' ALA . 20.3 p-90 -81.49 -9.31 59.73 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 108.011 -1.107 . . . . 0.0 108.011 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 50.0 t -93.67 116.57 66.63 Favored Pre-proline 0 C--N 1.324 -0.528 0 O-C-N 124.509 1.131 . . . . 0.0 108.364 179.904 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.91 -48.4 0.18 Allowed 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.49 1.784 . . . . 0.0 111.067 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -52.29 -30.65 29.09 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.521 1.138 . . . . 0.0 109.387 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 2.3 m -77.79 -50.27 12.68 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.543 1.152 . . . . 0.0 108.321 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 8.7 mt -51.46 -46.92 63.23 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.573 1.171 . . . . 0.0 109.302 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 88.4 p -69.94 -25.24 63.56 Favored 'General case' 0 C--N 1.323 -0.554 0 O-C-N 124.539 1.149 . . . . 0.0 109.967 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -80.23 -24.15 40.4 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.531 1.145 . . . . 0.0 110.261 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.463 ' CD1' HD12 ' A' ' 84' ' ' LEU . 55.7 mt -44.32 -53.14 7.01 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.496 1.122 . . . . 0.0 109.355 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -56.09 -50.06 63.93 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.524 1.14 . . . . 0.0 110.95 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 1.3 tt0 -62.75 -31.29 72.2 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.469 0.747 . . . . 0.0 110.321 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' THR . . . . . 0.427 ' O ' ' CB ' ' A' ' 50' ' ' ALA . 29.3 m -67.46 -33.37 74.99 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.487 1.117 . . . . 0.0 110.423 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 26.6 tt0 -70.08 -40.23 75.13 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.44 1.087 . . . . 0.0 110.271 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 27.4 tttt -70.71 -35.52 72.78 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.556 1.16 . . . . 0.0 109.326 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' TRP . . . . . 0.612 ' O ' ' CD2' ' A' ' 55' ' ' PHE . 44.8 m0 -77.69 -42.49 34.36 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.574 1.172 . . . . 0.0 107.918 -179.925 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . 0.427 ' CB ' ' O ' ' A' ' 46' ' ' THR . . . -65.87 -14.36 61.34 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.489 1.118 . . . . 0.0 109.331 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 1.3 pp0? -113.95 6.21 16.47 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.564 1.165 . . . . 0.0 110.246 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . 0.427 ' OD2' ' CD1' ' A' ' 55' ' ' PHE . 18.5 t0 -67.04 142.5 57.16 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.54 1.15 . . . . 0.0 109.358 179.905 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -63.0 -51.94 64.91 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.535 1.147 . . . . 0.0 109.325 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . 0.459 ' HB3' ' CD2' ' A' ' 134' ' ' LEU . 27.4 mmtm -51.84 -32.77 33.25 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.522 1.139 . . . . 0.0 109.285 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . 0.612 ' CD2' ' O ' ' A' ' 49' ' ' TRP . 3.2 m-85 -77.08 -27.12 54.12 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.538 1.149 . . . . 0.0 110.957 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -45.01 -27.11 0.51 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.511 1.132 . . . . 0.0 109.967 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' SER . . . . . 0.403 ' N ' ' C ' ' A' ' 55' ' ' PHE . 49.8 m -52.45 -58.24 7.33 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 0.0 109.961 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . 0.417 ' O ' ' O ' ' A' ' 55' ' ' PHE . . . -110.59 166.62 10.86 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.557 1.16 . . . . 0.0 109.332 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . 0.439 ' OD1' ' NZ ' ' A' ' 25' ' ' LYS . 91.8 m-20 -88.1 135.33 33.48 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.585 1.178 . . . . 0.0 109.302 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.416 ' C ' ' CD2' ' A' ' 60' ' ' LEU . 3.8 tt -127.24 126.93 43.59 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.475 1.109 . . . . 0.0 109.267 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -150.81 160.79 3.92 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.518 1.136 . . . . 0.0 109.355 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' THR . . . . . 0.497 ' HB ' ' CD1' ' A' ' 32' ' ' TRP . 7.3 p -108.07 151.14 26.26 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.42 1.075 . . . . 0.0 110.339 -179.954 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 2.6 t -124.72 143.98 36.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.548 1.155 . . . . 0.0 109.267 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . 0.446 ' N ' ' O ' ' A' ' 92' ' ' VAL . . . -133.86 148.31 51.26 Favored 'General case' 0 C--N 1.327 -0.401 0 O-C-N 124.436 1.085 . . . . 0.0 109.334 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' SER . . . . . 0.47 ' CB ' ' HB3' ' A' ' 68' ' ' PHE . 10.9 m -120.27 108.28 38.24 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.432 1.082 . . . . 0.0 109.985 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 134.47 17.85 Favored 'Trans proline' 0 C--N 1.359 1.082 0 O-C-N 124.473 1.775 . . . . 0.0 110.998 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 67.46 14.72 64.96 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.518 1.136 . . . . 0.0 110.915 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . 0.538 ' CD2' ' HB2' ' A' ' 69' ' ' LEU . 65.7 t80 -124.22 145.97 49.02 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.526 0.78 . . . . 0.0 111.017 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.538 ' HB2' ' CD2' ' A' ' 68' ' ' PHE . 0.2 OUTLIER 54.34 47.2 23.49 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.503 1.127 . . . . 0.0 109.285 179.927 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 18.3 m-70 50.97 41.0 26.66 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.515 1.134 . . . . 0.0 109.624 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . 0.423 ' CB ' ' O ' ' A' ' 68' ' ' PHE . 14.5 tp10 -103.75 161.27 14.07 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.49 1.119 . . . . 0.0 110.327 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 6.9 mmtt -57.39 132.14 52.19 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.422 1.076 . . . . 0.0 109.314 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 47.4 mtmt -62.69 158.6 18.08 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.521 1.138 . . . . 0.0 109.262 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -49.2 157.92 0.41 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.536 1.148 . . . . 0.0 109.306 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 76.68 -53.33 3.26 Favored Glycine 0 CA--C 1.531 1.061 0 O-C-N 124.481 1.113 . . . . 0.0 110.975 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -61.24 -52.03 66.46 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.533 0.784 . . . . 0.0 109.315 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 35.1 t80 -59.62 -27.36 66.25 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.555 1.159 . . . . 0.0 110.874 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 5.6 mt-30 -70.78 -28.73 64.88 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.496 1.123 . . . . 0.0 110.253 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.42 -39.57 62.54 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.475 1.109 . . . . 0.0 109.346 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' TRP . . . . . 0.595 ' CE3' ' OG ' ' A' ' 34' ' ' SER . 3.7 t90 -59.7 -53.5 57.24 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 107.932 -1.136 . . . . 0.0 107.932 -179.855 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' TYR . . . . . 0.556 ' CE2' ' HB1' ' A' ' 12' ' ' ALA . 1.7 t80 -54.32 -33.01 57.98 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.451 1.094 . . . . 0.0 110.942 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -70.74 -8.34 51.51 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.465 1.103 . . . . 0.0 109.251 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -118.02 -0.07 17.08 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.499 1.124 . . . . 0.0 110.992 179.931 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . 0.463 HD12 ' CD1' ' A' ' 43' ' ' LEU . 11.0 mt -84.51 137.91 33.07 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.451 0.736 . . . . 0.0 109.247 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 4.9 m120 -72.56 177.01 4.94 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.567 1.167 . . . . 0.0 109.353 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' TYR . . . . . 0.449 ' N ' ' HD3' ' A' ' 87' ' ' PRO . 9.6 m-85 51.68 60.97 13.29 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.463 1.102 . . . . 0.0 111.001 -179.94 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' PRO . . . . . 0.449 ' HD3' ' N ' ' A' ' 86' ' ' TYR . 18.4 Cg_endo -75.04 44.73 1.22 Allowed 'Trans proline' 0 C--N 1.361 1.207 0 O-C-N 124.512 1.796 . . . . 0.0 111.018 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -133.37 6.09 3.81 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.497 1.123 . . . . 0.0 109.23 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . 0.422 ' CD2' ' CG2' ' A' ' 91' ' ' VAL . 0.0 OUTLIER -94.43 146.28 31.23 Favored Pre-proline 0 C--N 1.324 -0.521 0 O-C-N 124.529 1.143 . . . . 0.0 109.232 -179.925 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.96 127.82 11.02 Favored 'Trans proline' 0 C--N 1.361 1.21 0 O-C-N 124.469 1.773 . . . . 0.0 110.999 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . 0.422 ' CG2' ' CD2' ' A' ' 89' ' ' LEU . 37.1 t -139.13 118.64 13.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.54 1.15 . . . . 0.0 109.312 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . 0.446 ' O ' ' N ' ' A' ' 64' ' ' ALA . 80.5 t -107.97 143.22 18.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 O-C-N 124.514 1.134 . . . . 0.0 109.252 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 3.1 p -128.15 116.07 19.37 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.434 1.084 . . . . 0.0 110.413 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . 0.413 ' HA ' ' CD1' ' A' ' 9' ' ' LEU . 60.8 t0 -114.89 111.47 21.24 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.448 1.093 . . . . 0.0 109.29 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -57.91 112.3 1.45 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.521 1.138 . . . . 0.0 109.256 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 86.29 -16.3 44.78 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.499 1.124 . . . . 0.0 111.042 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 61.35 67.28 2.19 Favored Glycine 0 CA--C 1.53 1.002 0 N-CA-C 111.001 -0.84 . . . . 0.0 111.001 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 98' ' ' THR . . . . . 0.473 ' O ' ' CB ' ' A' ' 102' ' ' SER . 1.3 m -60.04 -30.3 69.09 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.515 0.773 . . . . 0.0 110.37 -179.952 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 3.3 mt -80.77 -36.14 15.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.431 1.082 . . . . 0.0 109.282 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -74.18 -38.48 63.64 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.497 1.123 . . . . 0.0 109.309 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 2.5 tt0 -77.38 -32.82 55.18 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.472 1.107 . . . . 0.0 110.288 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 102' ' ' SER . . . . . 0.473 ' CB ' ' O ' ' A' ' 98' ' ' THR . 29.0 t -72.68 -20.67 61.2 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.421 1.076 . . . . 0.0 109.99 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 80.6 mt -106.12 -7.48 17.93 Favored 'General case' 0 C--N 1.327 -0.411 0 O-C-N 124.413 1.071 . . . . 0.0 109.325 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 58.5 t30 65.7 55.99 0.95 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.5 1.125 . . . . 0.0 109.366 -179.919 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 105' ' ' ILE . . . . . 0.543 ' CD1' ' CZ ' ' A' ' 31' ' ' PHE . 79.1 mt -97.14 117.55 41.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.468 1.105 . . . . 0.0 109.285 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 5.2 p -142.1 30.9 1.59 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.481 1.113 . . . . 0.0 110.01 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 1.5 p -147.35 132.32 11.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.53 1.144 . . . . 0.0 109.271 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 108' ' ' TYR . . . . . 0.578 ' CE1' ' HB3' ' A' ' 31' ' ' PHE . 22.5 m-85 -131.42 152.62 80.82 Favored Pre-proline 0 C--N 1.326 -0.44 0 O-C-N 124.497 1.123 . . . . 0.0 111.039 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 109' ' ' PRO . . . . . 0.506 ' C ' ' HA ' ' A' ' 108' ' ' TYR . 18.3 Cg_endo -74.92 167.74 79.48 Favored 'Cis proline' 0 C--N 1.358 1.057 0 C-N-CA 121.047 -2.48 . . . . 0.0 111.043 -0.06 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -142.82 157.45 44.6 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.51 1.131 . . . . 0.0 110.031 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 111' ' ' TRP . . . . . 0.571 ' CZ3' ' HB2' ' A' ' 30' ' ' LYS . 93.4 m95 -132.49 140.3 48.3 Favored 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 107.947 -1.131 . . . . 0.0 107.947 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -124.51 138.25 54.35 Favored 'General case' 0 C--N 1.327 -0.398 0 O-C-N 124.525 1.141 . . . . 0.0 109.275 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 43.3 tp -109.02 134.25 51.92 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.397 1.061 . . . . 0.0 109.295 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 114' ' ' ILE . . . . . 0.463 ' CD1' ' HA ' ' A' ' 120' ' ' VAL . 45.4 mm -123.09 131.15 73.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.537 1.148 . . . . 0.0 109.238 -179.95 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -62.82 172.15 10.77 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.554 1.159 . . . . 0.0 111.04 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.97 -11.78 61.12 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.418 0.717 . . . . 0.0 109.255 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -88.69 -12.47 42.25 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.535 1.147 . . . . 0.0 109.181 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . 88.74 33.31 10.1 Favored Glycine 0 CA--C 1.531 1.075 0 O-C-N 124.552 1.157 . . . . 0.0 111.045 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -124.38 154.01 41.0 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.514 0.773 . . . . 0.0 109.36 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 120' ' ' VAL . . . . . 0.463 ' HA ' ' CD1' ' A' ' 114' ' ' ILE . 0.3 OUTLIER -54.28 117.96 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.473 1.108 . . . . 0.0 109.348 179.985 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 2.0 tt0 -97.45 -51.71 4.05 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.5 1.125 . . . . 0.0 110.293 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 122' ' ' ARG . . . . . 0.426 ' CD ' ' OD2' ' A' ' 143' ' ' ASP . 0.0 OUTLIER -156.71 140.98 16.55 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.488 1.117 . . . . 0.0 110.328 179.984 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 123' ' ' ILE . . . . . . . . . . . . . 20.6 tt -104.56 138.25 30.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.459 1.099 . . . . 0.0 109.322 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 57.8 t -126.93 138.76 53.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.425 1.078 . . . . 0.0 109.306 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -118.73 126.78 52.64 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.441 1.088 . . . . 0.0 109.31 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . 119.6 -138.96 13.68 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.51 1.131 . . . . 0.0 111.017 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -139.19 157.52 45.79 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.525 0.779 . . . . 0.0 110.04 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 128' ' ' ILE . . . . . . . . . . . . . 4.7 pt -129.04 167.0 25.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.584 1.177 . . . . 0.0 109.314 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 129' ' ' ASN . . . . . . . . . . . . . 1.2 p-10 -107.43 163.42 13.06 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.48 1.112 . . . . 0.0 109.188 -179.878 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 130' ' ' GLU . . . . . 0.402 ' HB2' ' CE2' ' A' ' 49' ' ' TRP . 23.4 tt0 -53.61 -34.91 60.11 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.505 1.128 . . . . 0.0 110.314 179.934 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -65.41 -49.04 70.74 Favored 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.417 1.073 . . . . 0.0 109.241 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 37.2 mt-30 -51.54 -43.75 62.43 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.536 1.148 . . . . 0.0 110.313 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 133' ' ' ALA . . . . . 0.572 ' HB1' ' CE1' ' A' ' 55' ' ' PHE . . . -57.88 -37.11 73.38 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.571 1.17 . . . . 0.0 109.341 179.941 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 134' ' ' LEU . . . . . 0.459 ' CD2' ' HB3' ' A' ' 54' ' ' LYS . 16.8 mt -66.5 -49.83 65.28 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.471 1.107 . . . . 0.0 109.295 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -57.19 -22.34 39.9 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.592 1.183 . . . . 0.0 109.244 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 12.4 tp -79.03 -39.45 33.99 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.556 1.16 . . . . 0.0 109.331 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 137' ' ' ILE . . . . . . . . . . . . . 1.6 mp -82.37 -21.57 9.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.519 1.137 . . . . 0.0 109.395 179.89 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -84.46 -47.25 10.83 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.47 1.106 . . . . 0.0 110.322 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 33.9 t0 -113.03 118.88 43.71 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.608 1.192 . . . . 0.0 109.318 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.06 -21.87 15.3 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.503 1.791 . . . . 0.0 111.022 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 141' ' ' ASN . . . . . . . . . . . . . 28.6 m-20 -73.35 -21.48 60.53 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.467 1.104 . . . . 0.0 109.32 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -71.76 97.83 1.85 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.468 1.105 . . . . 0.0 109.307 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 143' ' ' ASP . . . . . 0.426 ' OD2' ' CD ' ' A' ' 122' ' ' ARG . 0.3 OUTLIER 64.64 106.65 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.572 1.17 . . . . 0.0 109.323 179.985 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.325 -0.498 0 O-C-N 124.397 1.06 . . . . 0.0 109.327 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.412 ' N ' HG22 ' A' ' 120' ' ' VAL . 5.5 ttt . . . . . 0 N--CA 1.453 -0.289 0 CA-C-O 120.453 0.168 . . . . 0.0 111.033 . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . 0.416 ' HA ' ' HD3' ' A' ' 3' ' ' PRO . 32.1 t -151.69 137.82 11.43 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.533 1.146 . . . . 0.0 109.278 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . 0.416 ' HD3' ' HA ' ' A' ' 2' ' ' VAL . 18.3 Cg_endo -75.07 -36.52 2.46 Favored 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.525 1.802 . . . . 0.0 110.989 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 10.8 t-80 -50.66 -35.93 33.15 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.541 1.15 . . . . 0.0 109.554 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 28.2 p -82.57 -49.63 9.66 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.477 1.111 . . . . 0.0 110.367 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 3.9 tp -54.9 -49.23 71.74 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.459 1.099 . . . . 0.0 109.27 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 17.0 m -59.32 -28.14 66.53 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.568 1.167 . . . . 0.0 110.009 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 1.7 m -78.2 -19.16 54.41 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.531 1.144 . . . . 0.0 110.333 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -79.07 148.57 32.39 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.538 1.149 . . . . 0.0 109.285 -179.914 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 2.8 mtmm -118.78 158.18 26.11 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.433 1.083 . . . . 0.0 109.357 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 13.6 p -88.44 -177.61 5.66 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.512 1.132 . . . . 0.0 110.403 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . 0.572 ' HB2' ' CD1' ' A' ' 81' ' ' TYR . . . -74.6 -4.42 37.0 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.39 1.056 . . . . 0.0 109.246 -179.954 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -103.51 20.59 17.61 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.546 1.153 . . . . 0.0 109.348 179.87 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 55.72 31.53 17.65 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.497 1.123 . . . . 0.0 109.352 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 38.8 mtt180 -111.89 149.13 40.37 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.528 1.143 . . . . 0.0 110.267 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 132.36 15.33 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.479 1.778 . . . . 0.0 110.988 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -67.65 -16.44 64.16 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.487 1.117 . . . . 0.0 109.256 -179.938 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -60.56 -18.74 54.49 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.518 1.136 . . . . 0.0 109.972 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 71.8 t -74.96 -17.58 16.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.539 1.149 . . . . 0.0 109.301 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . 0.474 ' CZ ' ' HB3' ' A' ' 90' ' ' PRO . 27.2 m-85 -103.71 18.66 21.43 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.558 1.162 . . . . 0.0 111.13 179.877 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.447 ' O ' ' CB ' ' A' ' 22' ' ' LYS . 0.0 OUTLIER -145.98 120.36 9.64 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.61 1.194 . . . . 0.0 109.232 -179.917 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . 0.447 ' CB ' ' O ' ' A' ' 21' ' ' LEU . 1.5 mmtp 168.15 -173.49 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.516 1.135 . . . . 0.0 109.388 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.402 ' O ' ' C ' ' A' ' 24' ' ' ASP . 0.1 OUTLIER 65.41 20.44 11.76 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.48 1.112 . . . . 0.0 109.319 179.994 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . 0.402 ' C ' ' O ' ' A' ' 23' ' ' LYS . 0.7 OUTLIER 40.42 39.2 0.66 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.476 1.11 . . . . 0.0 109.313 -179.964 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.409 ' HB2' ' HD2' ' A' ' 26' ' ' PRO . 0.0 OUTLIER -105.54 171.22 5.08 Favored Pre-proline 0 C--N 1.324 -0.539 0 O-C-N 124.508 1.13 . . . . 0.0 109.33 179.965 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . 0.409 ' HD2' ' HB2' ' A' ' 25' ' ' LYS . 18.1 Cg_endo -75.01 153.5 41.75 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.484 1.781 . . . . 0.0 111.006 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 52.5 m -130.15 140.78 50.73 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.487 1.117 . . . . 0.0 110.416 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.451 HD23 ' CZ3' ' A' ' 111' ' ' TRP . 9.6 tp -121.05 121.55 38.17 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.52 1.137 . . . . 0.0 109.242 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . 0.412 ' CG2' HG23 ' A' ' 63' ' ' VAL . 2.8 mt -109.78 147.78 13.9 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 O-C-N 124.43 1.081 . . . . 0.0 109.304 179.924 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.538 ' HB2' ' CE3' ' A' ' 111' ' ' TRP . 7.0 tttp -139.22 129.23 25.08 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.552 1.158 . . . . 0.0 109.28 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . 0.534 ' HB3' ' CE1' ' A' ' 108' ' ' TYR . 23.7 m-85 -101.16 146.13 27.9 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.452 1.095 . . . . 0.0 110.988 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' TRP . . . . . 0.611 ' CE3' ' SG ' ' A' ' 39' ' ' CYS . 0.3 OUTLIER -166.34 159.24 14.62 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.544 1.153 . . . . 0.0 108.019 179.985 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . 0.441 ' CB ' ' NE1' ' A' ' 35' ' ' TRP . . . -109.74 156.45 20.28 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.507 1.13 . . . . 0.0 109.333 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' SER . . . . . 0.565 ' HB3' ' CZ3' ' A' ' 80' ' ' TRP . 3.7 t -79.47 -19.49 49.66 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.602 1.189 . . . . 0.0 109.98 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' TRP . . . . . 0.441 ' NE1' ' CB ' ' A' ' 33' ' ' ALA . 22.1 p-90 -77.0 -16.64 59.26 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 108.025 -1.102 . . . . 0.0 108.025 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 51.1 t -75.19 133.11 75.43 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.518 1.136 . . . . 0.0 108.345 179.89 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 -44.31 0.35 Allowed 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.495 1.787 . . . . 0.0 111.051 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.41 ' O ' ' N ' ' A' ' 42' ' ' GLU . 0.2 OUTLIER -61.07 -33.23 73.0 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.573 1.17 . . . . 0.0 109.33 179.928 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . 0.611 ' SG ' ' CE3' ' A' ' 32' ' ' TRP . 7.2 t -64.2 -56.71 12.77 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.601 1.188 . . . . 0.0 108.304 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 29.1 mt -50.88 -44.39 59.79 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.53 1.144 . . . . 0.0 109.3 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 81.1 p -73.01 -24.99 60.81 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.427 1.079 . . . . 0.0 109.957 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . 0.41 ' N ' ' O ' ' A' ' 38' ' ' LEU . 5.1 mt-10 -82.14 -13.79 56.68 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.553 1.158 . . . . 0.0 110.22 -179.888 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.438 ' CD1' HD22 ' A' ' 84' ' ' LEU . 34.5 mt -44.15 -50.85 8.48 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.551 1.157 . . . . 0.0 109.313 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -67.24 -53.92 23.22 Favored Glycine 0 CA--C 1.529 0.931 0 O-C-N 124.579 1.174 . . . . 0.0 110.999 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 15.0 tt0 -51.61 -40.77 60.51 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.473 0.749 . . . . 0.0 110.317 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 60.0 m -67.64 -43.01 81.36 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.564 1.165 . . . . 0.0 110.482 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . 0.443 ' CG ' ' HB2' ' A' ' 89' ' ' LEU . 47.2 tt0 -71.43 -28.63 64.12 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.5 1.125 . . . . 0.0 110.291 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 5.7 tttt -77.79 -36.47 50.37 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.393 1.058 . . . . 0.0 109.307 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' TRP . . . . . . . . . . . . . 19.6 m0 -68.49 -41.6 79.84 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.507 1.129 . . . . 0.0 108.017 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -63.73 -13.12 40.64 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.483 1.114 . . . . 0.0 109.359 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 2.9 mm-40 -100.06 -17.83 17.28 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.473 1.108 . . . . 0.0 110.272 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . 0.6 ' OD1' ' CD1' ' A' ' 55' ' ' PHE . 6.4 t0 -59.11 123.38 16.44 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.496 1.122 . . . . 0.0 109.245 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -55.06 -50.03 70.14 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.519 1.137 . . . . 0.0 109.259 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 9.1 mtpp -49.06 -46.04 43.89 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.58 1.175 . . . . 0.0 109.296 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . 0.6 ' CD1' ' OD1' ' A' ' 52' ' ' ASP . 14.5 m-30 -76.88 -27.82 55.14 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.48 1.113 . . . . 0.0 110.977 -179.944 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' SER . . . . . 0.44 ' N ' ' O ' ' A' ' 52' ' ' ASP . 14.3 t -45.98 -39.95 9.71 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.47 1.106 . . . . 0.0 110.008 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' SER . . . . . 0.402 ' C ' ' O ' ' A' ' 56' ' ' SER . 71.2 m -38.8 -64.43 0.44 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.395 1.06 . . . . 0.0 109.98 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -88.29 166.05 14.58 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.525 1.141 . . . . 0.0 109.29 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . 0.405 ' OD1' ' N ' ' A' ' 59' ' ' ASN . 0.8 OUTLIER -88.58 122.21 31.79 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.563 1.164 . . . . 0.0 109.263 -179.97 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.422 ' C ' ' CD2' ' A' ' 60' ' ' LEU . 3.3 tt -112.96 129.58 56.43 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.495 1.122 . . . . 0.0 109.301 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . 0.42 ' CG2' ' O ' ' A' ' 60' ' ' LEU . 1.0 OUTLIER -153.4 163.0 2.0 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.622 1.201 . . . . 0.0 109.241 -179.954 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' THR . . . . . 0.454 ' HB ' ' NE1' ' A' ' 32' ' ' TRP . 6.2 p -112.78 158.86 19.59 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.489 1.118 . . . . 0.0 110.489 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . 0.412 HG23 ' CG2' ' A' ' 29' ' ' ILE . 45.4 t -123.35 138.59 52.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.495 1.122 . . . . 0.0 109.268 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -134.34 123.5 24.25 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.511 1.132 . . . . 0.0 109.204 -179.913 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' SER . . . . . 0.4 ' CB ' ' HB3' ' A' ' 68' ' ' PHE . 5.1 t -103.45 107.59 56.45 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.47 1.106 . . . . 0.0 110.055 179.947 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -75.01 136.99 21.1 Favored 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.476 1.777 . . . . 0.0 111.026 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 68.31 10.8 60.56 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.492 1.12 . . . . 0.0 110.981 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . 0.55 ' CE2' HD21 ' A' ' 69' ' ' LEU . 76.9 t80 -127.44 136.71 52.19 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.58 0.812 . . . . 0.0 111.056 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.55 HD21 ' CE2' ' A' ' 68' ' ' PHE . 0.2 OUTLIER 66.94 47.49 1.42 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.487 1.117 . . . . 0.0 109.294 179.994 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER 54.44 26.72 7.38 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.471 1.107 . . . . 0.0 109.555 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . 0.42 ' HG3' ' N ' ' A' ' 72' ' ' LYS . 26.6 tp10 -87.93 162.41 16.91 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.571 1.17 . . . . 0.0 110.316 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . 0.42 ' N ' ' HG3' ' A' ' 71' ' ' GLU . 0.4 OUTLIER -69.95 137.81 51.8 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.443 1.089 . . . . 0.0 109.267 179.972 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.06 156.74 20.61 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.559 1.162 . . . . 0.0 109.324 179.89 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . 0.406 ' HD2' ' N ' ' A' ' 75' ' ' GLY . 0.4 OUTLIER -50.45 162.09 0.26 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.479 1.112 . . . . 0.0 109.269 179.945 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . 0.406 ' N ' ' HD2' ' A' ' 74' ' ' ASP . . . 78.84 -51.66 3.82 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.531 1.144 . . . . 0.0 111.023 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -68.91 -50.93 45.26 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.519 0.776 . . . . 0.0 109.267 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' PHE . . . . . 0.431 ' CE2' ' HB2' ' A' ' 34' ' ' SER . 12.0 t80 -58.18 -26.44 62.76 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.495 1.122 . . . . 0.0 110.97 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 7.9 mt-30 -70.11 -43.66 70.58 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.523 1.139 . . . . 0.0 110.231 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.57 -26.98 62.84 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.497 1.123 . . . . 0.0 109.299 -179.934 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' TRP . . . . . 0.565 ' CZ3' ' HB3' ' A' ' 34' ' ' SER . 7.5 t90 -73.98 -43.44 58.13 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.506 1.129 . . . . 0.0 107.99 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' TYR . . . . . 0.572 ' CD1' ' HB2' ' A' ' 12' ' ' ALA . 0.9 OUTLIER -67.57 -27.99 67.4 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.487 1.117 . . . . 0.0 111.003 179.975 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -65.15 -12.71 53.97 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.375 1.047 . . . . 0.0 109.316 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -123.79 24.36 6.42 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.458 1.099 . . . . 0.0 111.012 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . 0.438 HD22 ' CD1' ' A' ' 43' ' ' LEU . 67.9 mt -123.41 118.19 26.9 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.547 0.792 . . . . 0.0 109.407 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER 49.8 -175.83 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.566 1.166 . . . . 0.0 109.256 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' TYR . . . . . 0.402 ' C ' ' H ' ' A' ' 88' ' ' LYS . 85.6 m-85 -83.68 158.76 62.19 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.465 1.103 . . . . 0.0 110.977 -179.931 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.92 44.71 1.2 Allowed 'Trans proline' 0 C--N 1.358 1.076 0 O-C-N 124.555 1.818 . . . . 0.0 110.985 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . 0.402 ' H ' ' C ' ' A' ' 86' ' ' TYR . 0.0 OUTLIER -127.45 -0.05 6.27 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.472 1.108 . . . . 0.0 109.258 179.994 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . 0.443 ' HB2' ' CG ' ' A' ' 47' ' ' GLU . 1.3 tp -95.15 132.84 27.16 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.573 1.17 . . . . 0.0 109.333 179.936 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' PRO . . . . . 0.474 ' HB3' ' CZ ' ' A' ' 20' ' ' TYR . 18.2 Cg_endo -75.1 128.86 11.73 Favored 'Trans proline' 0 C--N 1.361 1.205 0 O-C-N 124.484 1.781 . . . . 0.0 110.997 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 98.4 t -150.45 119.4 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.537 1.148 . . . . 0.0 109.335 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 52.4 t -105.97 129.33 59.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.511 1.132 . . . . 0.0 109.361 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 1.7 p -108.97 112.14 24.18 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.49 1.119 . . . . 0.0 110.425 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 62.6 t0 -114.69 110.76 20.24 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.532 1.145 . . . . 0.0 109.318 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 38.8 t-20 -59.0 116.25 3.68 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.543 1.152 . . . . 0.0 109.308 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 87.91 -21.16 24.82 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.461 1.101 . . . . 0.0 110.99 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 66.87 68.04 1.79 Allowed Glycine 0 CA--C 1.531 1.032 0 N-CA-C 111.027 -0.829 . . . . 0.0 111.027 179.909 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 98' ' ' THR . . . . . 0.501 ' O ' ' CB ' ' A' ' 102' ' ' SER . 1.5 m -61.45 -32.71 72.7 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.604 0.826 . . . . 0.0 110.437 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 2.9 mt -78.54 -35.75 19.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 O-C-N 124.45 1.094 . . . . 0.0 109.318 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -70.39 -51.95 26.0 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.532 1.145 . . . . 0.0 109.309 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 11.0 pt20 -68.23 -28.31 67.12 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.437 1.085 . . . . 0.0 110.267 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 102' ' ' SER . . . . . 0.501 ' CB ' ' O ' ' A' ' 98' ' ' THR . 2.1 t -60.8 -39.61 89.56 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.503 1.127 . . . . 0.0 109.998 179.919 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . 0.468 ' CB ' ' CD1' ' A' ' 105' ' ' ILE . 11.1 mt -101.48 6.52 42.42 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.527 1.142 . . . . 0.0 109.299 -179.919 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 24.5 t-20 59.86 58.51 2.76 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.449 1.093 . . . . 0.0 109.338 -179.928 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 105' ' ' ILE . . . . . 0.468 ' CD1' ' CB ' ' A' ' 103' ' ' LEU . 1.7 mp -89.45 114.52 27.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.531 1.144 . . . . 0.0 109.273 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 51.8 p -138.86 25.29 2.55 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.488 1.117 . . . . 0.0 109.915 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 1.4 p -146.16 132.66 14.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 O-C-N 124.589 1.18 . . . . 0.0 109.314 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 108' ' ' TYR . . . . . 0.534 ' CE1' ' HB3' ' A' ' 31' ' ' PHE . 13.8 m-30 -129.2 153.11 80.38 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.409 1.068 . . . . 0.0 111.02 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 109' ' ' PRO . . . . . 0.513 ' C ' ' HA ' ' A' ' 108' ' ' TYR . 18.1 Cg_endo -75.02 170.01 73.01 Favored 'Cis proline' 0 C--N 1.36 1.169 0 C-N-CA 120.948 -2.522 . . . . 0.0 110.957 0.004 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -136.84 162.7 32.5 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.507 1.13 . . . . 0.0 110.051 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 111' ' ' TRP . . . . . 0.538 ' CE3' ' HB2' ' A' ' 30' ' ' LYS . 78.4 m95 -142.5 142.77 32.31 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.537 1.148 . . . . 0.0 107.903 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -135.94 135.22 39.45 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.492 1.12 . . . . 0.0 109.313 179.923 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 34.8 tp -108.5 133.41 52.69 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.459 1.1 . . . . 0.0 109.369 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 114' ' ' ILE . . . . . 0.461 ' CG2' ' HA2' ' A' ' 118' ' ' GLY . 22.2 mm -120.22 115.44 47.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 O-C-N 124.518 1.136 . . . . 0.0 109.315 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -44.88 170.52 0.01 OUTLIER Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.531 1.144 . . . . 0.0 110.98 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 1.7 ptmt -70.18 -11.14 60.69 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.422 0.719 . . . . 0.0 109.331 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -90.73 -24.27 20.45 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.511 1.132 . . . . 0.0 109.34 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 118' ' ' GLY . . . . . 0.461 ' HA2' ' CG2' ' A' ' 114' ' ' ILE . . . 104.54 20.51 10.09 Favored Glycine 0 CA--C 1.532 1.094 0 O-C-N 124.408 1.068 . . . . 0.0 110.944 179.923 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 2.3 p-10 -108.11 149.24 28.74 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.596 0.821 . . . . 0.0 109.315 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 120' ' ' VAL . . . . . 0.412 HG22 ' N ' ' A' ' 1' ' ' MET . 73.9 t -54.14 111.5 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.53 1.144 . . . . 0.0 109.345 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 1.2 tp-100 -89.35 -55.04 3.82 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.483 1.114 . . . . 0.0 110.225 -179.908 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 1.8 ttm180 -154.29 153.53 31.84 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.486 1.117 . . . . 0.0 110.255 -179.936 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 123' ' ' ILE . . . . . . . . . . . . . 11.8 tt -122.62 134.78 64.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.425 1.078 . . . . 0.0 109.275 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 53.9 t -125.81 135.87 62.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.523 1.14 . . . . 0.0 109.295 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -118.58 117.63 29.51 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.493 1.121 . . . . 0.0 109.314 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . 129.92 -147.6 18.11 Favored Glycine 0 CA--C 1.529 0.921 0 O-C-N 124.495 1.122 . . . . 0.0 110.987 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 1.2 m -124.23 141.51 52.0 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.465 0.744 . . . . 0.0 110.011 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 128' ' ' ILE . . . . . . . . . . . . . 14.5 pt -116.41 165.48 11.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.477 1.111 . . . . 0.0 109.337 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 129' ' ' ASN . . . . . . . . . . . . . 2.3 p-10 -106.97 171.02 7.6 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.462 1.101 . . . . 0.0 109.286 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -59.58 -34.39 72.65 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.421 1.076 . . . . 0.0 110.351 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -64.27 -51.75 62.0 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.435 1.084 . . . . 0.0 109.277 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 38.3 mt-30 -50.86 -45.98 60.06 Favored 'General case' 0 C--N 1.327 -0.397 0 O-C-N 124.501 1.125 . . . . 0.0 110.264 -179.885 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -52.35 -50.05 63.11 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.455 1.097 . . . . 0.0 109.296 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 19.1 mt -53.45 -40.92 65.6 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.576 1.172 . . . . 0.0 109.312 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -60.35 -36.47 78.08 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.534 1.146 . . . . 0.0 109.304 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 19.6 mt -63.17 -49.47 74.19 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.506 1.129 . . . . 0.0 109.235 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 137' ' ' ILE . . . . . . . . . . . . . 5.0 mt -67.78 -22.29 28.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.461 1.1 . . . . 0.0 109.244 -179.933 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -82.21 -47.55 12.33 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.523 1.14 . . . . 0.0 110.247 -179.88 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 15.5 t0 -158.5 127.51 3.08 Favored Pre-proline 0 C--N 1.327 -0.407 0 O-C-N 124.469 1.106 . . . . 0.0 109.239 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 -10.05 21.12 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.484 1.781 . . . . 0.0 111.078 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 141' ' ' ASN . . . . . . . . . . . . . 85.8 m-20 -82.53 -25.08 33.72 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.485 1.116 . . . . 0.0 109.314 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -52.19 151.55 3.8 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.503 1.127 . . . . 0.0 109.297 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 143' ' ' ASP . . . . . . . . . . . . . 19.1 t70 68.28 151.28 0.08 Allowed 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.479 1.112 . . . . 0.0 109.291 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.325 -0.465 0 O-C-N 124.423 1.077 . . . . 0.0 109.268 179.917 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.332 0 CA-C-O 120.445 0.164 . . . . 0.0 111.042 . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . 0.459 ' CG1' ' HB ' ' A' ' 5' ' ' THR . 2.7 t 43.48 64.46 6.68 Favored Pre-proline 0 C--N 1.324 -0.522 0 O-C-N 124.532 1.145 . . . . 0.0 109.323 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . 0.417 ' HD3' ' N ' ' A' ' 2' ' ' VAL . 18.1 Cg_endo -75.04 -45.51 0.28 Allowed 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.527 1.804 . . . . 0.0 110.997 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -52.86 -29.23 26.93 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.51 1.131 . . . . 0.0 109.63 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' THR . . . . . 0.459 ' HB ' ' CG1' ' A' ' 2' ' ' VAL . 22.8 m -74.87 -48.98 22.06 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.492 1.12 . . . . 0.0 110.423 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 13.3 mt -67.96 -32.84 73.54 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.447 1.092 . . . . 0.0 109.284 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -61.16 -23.55 65.64 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.594 1.184 . . . . 0.0 109.866 -179.918 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 97.6 m -71.75 -14.34 61.98 Favored 'General case' 0 C--N 1.323 -0.563 0 O-C-N 124.511 1.132 . . . . 0.0 110.371 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.542 ' CD2' ' N ' ' A' ' 9' ' ' LEU . 0.5 OUTLIER -83.8 91.95 7.64 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.505 1.128 . . . . 0.0 109.286 179.955 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 3.9 mmtp -90.72 147.9 22.94 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.465 1.103 . . . . 0.0 109.297 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 16.0 p -82.87 170.77 14.62 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.466 1.104 . . . . 0.0 110.406 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . 0.472 ' HB3' ' CD2' ' A' ' 81' ' ' TYR . . . -62.65 -15.42 51.92 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.559 1.162 . . . . 0.0 109.309 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -87.8 10.46 18.37 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.382 1.051 . . . . 0.0 109.281 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 60.32 37.02 20.5 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.471 1.107 . . . . 0.0 109.33 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 3.7 mtm-85 -116.08 149.44 43.41 Favored Pre-proline 0 C--N 1.324 -0.543 0 O-C-N 124.573 1.171 . . . . 0.0 110.325 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 133.82 17.12 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.439 1.757 . . . . 0.0 111.038 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -53.8 -29.3 39.89 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.498 1.124 . . . . 0.0 109.318 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 1.8 t -51.21 -32.61 24.43 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.546 1.154 . . . . 0.0 110.035 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 85.7 t -54.23 -34.79 28.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.47 1.106 . . . . 0.0 109.263 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 27.5 m-85 -117.19 20.01 13.91 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.541 1.151 . . . . 0.0 110.979 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -113.51 121.58 44.69 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.479 1.112 . . . . 0.0 109.263 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 2.9 mmtt -117.28 129.74 56.1 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.478 1.111 . . . . 0.0 109.267 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.96 17.79 2.28 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.514 1.134 . . . . 0.0 109.284 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 2.2 p30 -144.45 18.18 1.69 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.529 1.143 . . . . 0.0 109.297 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.422 ' NZ ' ' O ' ' A' ' 57' ' ' SER . 2.1 mmtp -146.66 154.45 48.16 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.498 1.124 . . . . 0.0 109.335 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.94 145.85 32.18 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.498 1.788 . . . . 0.0 111.044 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 84.9 m -122.7 122.24 38.29 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.491 1.119 . . . . 0.0 110.427 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 2.8 tp -106.98 131.45 54.03 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.482 1.114 . . . . 0.0 109.275 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . 0.462 HG23 ' CG2' ' A' ' 63' ' ' VAL . 2.2 mt -115.29 147.28 18.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.535 1.147 . . . . 0.0 109.31 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.503 ' HD2' ' CE2' ' A' ' 111' ' ' TRP . 14.4 tttt -138.02 114.93 10.75 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.518 1.136 . . . . 0.0 109.37 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . 0.574 ' HB3' ' CE1' ' A' ' 108' ' ' TYR . 51.0 m-85 -86.76 123.18 31.63 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.491 1.119 . . . . 0.0 111.074 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' TRP . . . . . 0.566 ' CZ3' ' CD1' ' A' ' 43' ' ' LEU . 3.3 p-90 -123.17 168.62 12.17 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.512 1.132 . . . . 0.0 108.01 -179.94 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . 0.596 ' CB ' ' CE2' ' A' ' 35' ' ' TRP . . . -133.5 124.01 26.22 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.466 1.104 . . . . 0.0 109.299 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' SER . . . . . 0.606 ' OG ' ' CE3' ' A' ' 80' ' ' TRP . 0.3 OUTLIER -56.45 -21.28 24.45 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.417 1.073 . . . . 0.0 109.986 179.997 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' TRP . . . . . 0.596 ' CE2' ' CB ' ' A' ' 33' ' ' ALA . 16.2 p-90 -85.61 -21.19 28.58 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 107.988 -1.115 . . . . 0.0 107.988 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . 0.401 ' N ' ' O ' ' A' ' 33' ' ' ALA . 44.9 t -81.63 114.42 49.82 Favored Pre-proline 0 C--N 1.324 -0.514 0 O-C-N 124.551 1.157 . . . . 0.0 108.273 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.04 -41.62 0.62 Allowed 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.501 1.79 . . . . 0.0 111.027 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 1.8 tm? -59.27 -28.22 66.53 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.554 1.159 . . . . 0.0 109.302 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . 0.404 ' O ' ' N ' ' A' ' 43' ' ' LEU . 19.2 m -77.11 -53.04 8.27 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.576 1.173 . . . . 0.0 108.358 179.929 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.565 HD11 ' CH2' ' A' ' 80' ' ' TRP . 4.8 mt -51.38 -43.1 61.79 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.502 1.127 . . . . 0.0 109.266 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 5.3 p -69.27 -25.72 64.4 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.479 1.112 . . . . 0.0 109.997 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . 0.4 ' HG2' ' NZ ' ' A' ' 30' ' ' LYS . 1.8 tp10 -86.22 -20.81 27.96 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.521 1.138 . . . . 0.0 110.343 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.566 ' CD1' ' CZ3' ' A' ' 32' ' ' TRP . 60.2 mt -51.95 -54.82 25.11 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.544 1.153 . . . . 0.0 109.292 -179.929 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -48.88 -49.97 27.69 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.595 1.184 . . . . 0.0 110.982 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -57.28 -35.78 70.2 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.511 0.771 . . . . 0.0 110.348 179.917 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 86.7 m -70.16 -39.44 75.32 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.476 1.11 . . . . 0.0 110.425 179.934 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . 0.426 ' OE2' ' N ' ' A' ' 89' ' ' LEU . 4.4 tt0 -53.81 -42.18 68.11 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.506 1.128 . . . . 0.0 110.326 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -71.88 -36.63 70.12 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.567 1.167 . . . . 0.0 109.286 179.915 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' TRP . . . . . . . . . . . . . 39.2 m0 -64.49 -34.71 78.84 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 107.998 -1.112 . . . . 0.0 107.998 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -70.14 -8.74 52.12 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.555 1.159 . . . . 0.0 109.32 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 59.4 mt-30 -111.57 -12.2 13.96 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.449 1.093 . . . . 0.0 110.322 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . 0.453 ' HB3' ' CD2' ' A' ' 55' ' ' PHE . 34.5 t0 -63.2 120.55 11.72 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.502 1.126 . . . . 0.0 109.262 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -56.05 -43.49 77.95 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.405 1.066 . . . . 0.0 109.285 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.99 -46.64 71.79 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.527 1.142 . . . . 0.0 109.351 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . 0.453 ' CD2' ' HB3' ' A' ' 52' ' ' ASP . 16.1 m-30 -77.64 -28.97 51.49 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.518 1.136 . . . . 0.0 111.002 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' SER . . . . . 0.433 ' O ' ' N ' ' A' ' 58' ' ' ALA . 69.1 m -46.73 -40.4 13.34 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.449 1.093 . . . . 0.0 109.945 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' SER . . . . . 0.422 ' O ' ' NZ ' ' A' ' 25' ' ' LYS . 13.7 t -39.39 -29.69 0.05 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.568 1.167 . . . . 0.0 110.04 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . 0.433 ' N ' ' O ' ' A' ' 56' ' ' SER . . . -123.92 166.16 16.15 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.555 1.159 . . . . 0.0 109.304 -179.95 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 28.6 m-20 -88.36 128.64 35.51 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.421 1.075 . . . . 0.0 109.322 179.925 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.48 ' C ' ' CD2' ' A' ' 60' ' ' LEU . 3.0 tt -120.84 125.06 46.56 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.558 1.161 . . . . 0.0 109.301 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . 0.471 ' CG2' ' O ' ' A' ' 60' ' ' LEU . 2.9 pt -154.92 162.42 1.86 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.468 1.105 . . . . 0.0 109.348 179.89 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' THR . . . . . 0.536 ' HB ' ' CD1' ' A' ' 32' ' ' TRP . 35.1 p -111.07 155.12 23.27 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.514 1.134 . . . . 0.0 110.356 -179.865 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . 0.462 ' CG2' HG23 ' A' ' 29' ' ' ILE . 2.2 t -121.53 143.71 33.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.572 1.17 . . . . 0.0 109.236 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . 0.613 ' CB ' ' CZ ' ' A' ' 77' ' ' PHE . . . -134.68 137.3 43.45 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.591 1.182 . . . . 0.0 109.265 179.949 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' SER . . . . . 0.463 ' CB ' ' HB3' ' A' ' 68' ' ' PHE . 1.5 m -111.97 108.12 55.67 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.419 1.074 . . . . 0.0 110.013 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . 0.411 ' HD2' ' O ' ' A' ' 94' ' ' ASP . 18.3 Cg_endo -74.9 134.7 18.31 Favored 'Trans proline' 0 C--N 1.361 1.214 0 O-C-N 124.478 1.778 . . . . 0.0 111.047 179.942 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 66.55 8.15 44.58 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.585 1.178 . . . . 0.0 111.04 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . 0.49 ' CE2' HD21 ' A' ' 69' ' ' LEU . 75.1 t80 -126.01 130.32 50.96 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.472 0.748 . . . . 0.0 111.08 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.49 HD21 ' CE2' ' A' ' 68' ' ' PHE . 0.3 OUTLIER 76.79 23.84 0.99 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.53 1.144 . . . . 0.0 109.346 -179.907 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 31.6 m170 66.78 22.39 10.3 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.424 1.077 . . . . 0.0 109.588 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . 0.42 ' OE2' ' CD1' ' A' ' 35' ' ' TRP . 0.3 OUTLIER -86.13 149.7 24.94 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.548 1.155 . . . . 0.0 110.27 179.981 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . 0.414 ' C ' ' O ' ' A' ' 71' ' ' GLU . 3.6 mmtt -38.89 154.72 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.501 1.126 . . . . 0.0 109.268 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -84.58 156.79 21.45 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.437 1.086 . . . . 0.0 109.363 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -49.11 143.98 5.38 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.529 1.143 . . . . 0.0 109.228 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 80.87 -50.7 4.18 Favored Glycine 0 CA--C 1.531 1.055 0 O-C-N 124.419 1.074 . . . . 0.0 111.031 179.924 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -69.24 -31.52 70.14 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.554 0.797 . . . . 0.0 109.212 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' PHE . . . . . 0.613 ' CZ ' ' CB ' ' A' ' 64' ' ' ALA . 17.4 t80 -77.52 -57.09 4.01 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.518 1.136 . . . . 0.0 111.051 179.926 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 18.2 pt20 -52.39 -25.97 11.26 Favored 'General case' 0 C--N 1.327 -0.404 0 O-C-N 124.564 1.165 . . . . 0.0 110.325 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 1.2 mttt -64.97 -47.72 76.59 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.428 1.08 . . . . 0.0 109.307 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' TRP . . . . . 0.606 ' CE3' ' OG ' ' A' ' 34' ' ' SER . 3.5 t90 -53.32 -55.92 20.83 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 107.997 -1.112 . . . . 0.0 107.997 179.951 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' TYR . . . . . 0.472 ' CD2' ' HB3' ' A' ' 12' ' ' ALA . 19.1 t80 -52.71 -28.83 23.69 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.482 1.114 . . . . 0.0 110.951 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -81.57 6.81 13.82 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.503 1.127 . . . . 0.0 109.316 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . 0.423 ' N ' ' O ' ' A' ' 80' ' ' TRP . . . -112.9 -12.86 11.8 Favored Glycine 0 CA--C 1.531 1.09 0 O-C-N 124.507 1.129 . . . . 0.0 111.008 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . 0.563 HD13 ' CD1' ' A' ' 80' ' ' TRP . 11.0 mp -83.77 161.97 20.8 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.53 0.783 . . . . 0.0 109.285 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 43.3 m-80 -89.24 178.98 6.21 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.491 1.119 . . . . 0.0 109.315 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' TYR . . . . . 0.404 ' C ' ' H ' ' A' ' 88' ' ' LYS . 42.8 m-85 54.27 83.93 0.22 Allowed Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.518 1.136 . . . . 0.0 111.016 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 18.8 Cg_endo -74.91 45.16 1.27 Allowed 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.405 1.74 . . . . 0.0 111.038 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . 0.404 ' H ' ' C ' ' A' ' 86' ' ' TYR . 28.5 mmtt -124.98 -2.73 7.7 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.557 1.161 . . . . 0.0 109.344 179.936 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . 0.426 ' N ' ' OE2' ' A' ' 47' ' ' GLU . 0.4 OUTLIER -76.72 119.64 78.27 Favored Pre-proline 0 C--N 1.324 -0.522 0 O-C-N 124.501 1.126 . . . . 0.0 109.303 -180.0 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 18.7 Cg_endo -75.0 128.55 11.57 Favored 'Trans proline' 0 C--N 1.359 1.109 0 O-C-N 124.541 1.811 . . . . 0.0 111.012 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 55.5 t -143.93 126.94 12.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.528 1.142 . . . . 0.0 109.285 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . 0.468 ' O ' ' N ' ' A' ' 64' ' ' ALA . 78.0 t -115.78 140.97 35.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.561 1.163 . . . . 0.0 109.304 179.917 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 3.1 p -120.45 115.87 24.34 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.437 1.086 . . . . 0.0 110.336 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . 0.445 ' HB2' ' CD1' ' A' ' 9' ' ' LEU . 68.1 t0 -114.66 110.33 19.59 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.444 1.09 . . . . 0.0 109.349 179.887 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 14.5 t-20 -59.57 112.49 1.81 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.577 1.173 . . . . 0.0 109.236 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 88.65 -29.17 5.92 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.477 1.111 . . . . 0.0 110.977 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 76.37 71.41 1.18 Allowed Glycine 0 CA--C 1.529 0.934 0 N-CA-C 111.006 -0.838 . . . . 0.0 111.006 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 2.0 m -57.76 -40.16 79.11 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.48 0.753 . . . . 0.0 110.453 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 3.8 mt -81.42 -38.28 16.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.497 1.123 . . . . 0.0 109.297 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -63.57 -44.98 92.49 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.578 1.174 . . . . 0.0 109.319 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 7.6 pt20 -73.89 -35.63 64.71 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.483 1.114 . . . . 0.0 110.356 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 1.1 m -61.35 -34.54 75.46 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.467 1.104 . . . . 0.0 109.93 -179.899 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 73.2 mt -99.96 12.33 37.08 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.471 1.107 . . . . 0.0 109.298 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 14.8 t-20 46.84 52.9 10.97 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.424 1.078 . . . . 0.0 109.307 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 105' ' ' ILE . . . . . 0.522 ' CD1' ' CZ ' ' A' ' 31' ' ' PHE . 64.5 mt -88.62 129.44 39.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 O-C-N 124.582 1.176 . . . . 0.0 109.302 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 24.5 p -157.19 33.3 0.29 Allowed 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.494 1.122 . . . . 0.0 109.969 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 2.5 p -148.14 132.66 9.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.485 1.115 . . . . 0.0 109.257 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 108' ' ' TYR . . . . . 0.574 ' CE1' ' HB3' ' A' ' 31' ' ' PHE . 21.4 m-85 -130.88 152.46 80.65 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.513 1.133 . . . . 0.0 111.047 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 109' ' ' PRO . . . . . 0.513 ' C ' ' HA ' ' A' ' 108' ' ' TYR . 18.3 Cg_endo -75.12 159.2 98.23 Favored 'Cis proline' 0 C--N 1.36 1.14 0 C-N-CA 120.928 -2.53 . . . . 0.0 111.015 0.105 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -134.17 157.57 45.89 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.434 1.084 . . . . 0.0 109.966 -179.887 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 111' ' ' TRP . . . . . 0.503 ' CE2' ' HD2' ' A' ' 30' ' ' LYS . 67.0 m95 -131.18 141.04 50.02 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 107.976 -1.12 . . . . 0.0 107.976 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -130.14 131.7 45.78 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.487 1.117 . . . . 0.0 109.263 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 113' ' ' LEU . . . . . 0.407 ' CD2' ' HB3' ' A' ' 121' ' ' GLN . 11.3 tp -108.43 132.92 53.29 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.463 1.102 . . . . 0.0 109.312 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 114' ' ' ILE . . . . . 0.455 ' CD1' ' HA ' ' A' ' 120' ' ' VAL . 43.8 mm -121.05 111.54 32.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.454 1.096 . . . . 0.0 109.325 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 115' ' ' GLY . . . . . 0.44 ' CA ' ' HG3' ' A' ' 121' ' ' GLN . . . -41.66 164.38 0.02 OUTLIER Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.567 1.167 . . . . 0.0 111.073 179.936 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.98 -12.2 47.44 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.53 0.782 . . . . 0.0 109.247 -179.932 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -81.64 -23.97 36.63 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.5 1.125 . . . . 0.0 109.298 -179.95 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . 99.29 34.95 4.9 Favored Glycine 0 CA--C 1.529 0.938 0 O-C-N 124.558 1.161 . . . . 0.0 111.013 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 1.6 p-10 -131.27 158.49 40.47 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.46 0.741 . . . . 0.0 109.3 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 120' ' ' VAL . . . . . 0.455 ' HA ' ' CD1' ' A' ' 114' ' ' ILE . 90.9 t -57.99 120.07 3.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.468 1.105 . . . . 0.0 109.287 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 121' ' ' GLN . . . . . 0.44 ' HG3' ' CA ' ' A' ' 115' ' ' GLY . 0.0 OUTLIER -100.58 -59.88 1.62 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.497 1.123 . . . . 0.0 110.284 -179.973 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -150.53 138.71 20.25 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.523 1.139 . . . . 0.0 110.392 179.926 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 123' ' ' ILE . . . . . . . . . . . . . 16.5 tt -111.64 127.66 68.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.55 1.156 . . . . 0.0 109.314 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 74.8 t -113.33 137.39 46.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.457 1.098 . . . . 0.0 109.267 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 12.5 pttt -105.97 134.74 48.61 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.505 1.128 . . . . 0.0 109.311 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . 104.5 -147.71 16.51 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.509 1.13 . . . . 0.0 110.988 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -123.15 155.93 36.04 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.444 0.732 . . . . 0.0 109.942 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 128' ' ' ILE . . . . . . . . . . . . . 15.1 pt -126.84 166.62 23.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 O-C-N 124.48 1.112 . . . . 0.0 109.284 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 129' ' ' ASN . . . . . . . . . . . . . 3.3 p30 -108.58 169.32 8.72 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.488 1.117 . . . . 0.0 109.323 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -51.17 -45.73 61.85 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.469 1.105 . . . . 0.0 110.375 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -50.79 -53.99 27.28 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.463 1.102 . . . . 0.0 109.306 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 8.2 mt-30 -50.93 -48.44 60.75 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.507 1.13 . . . . 0.0 110.259 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -49.8 -46.79 51.26 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.599 1.187 . . . . 0.0 109.299 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 42.8 mt -55.6 -46.39 77.33 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.48 1.113 . . . . 0.0 109.292 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -56.27 -41.96 76.65 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.487 1.117 . . . . 0.0 109.25 -179.942 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 30.6 mt -58.5 -57.34 13.4 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.566 1.167 . . . . 0.0 109.377 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 137' ' ' ILE . . . . . . . . . . . . . 1.5 mp -61.8 -19.21 20.8 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 O-C-N 124.546 1.154 . . . . 0.0 109.285 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -79.77 -47.49 15.15 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.552 1.157 . . . . 0.0 110.3 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 139' ' ' ASP . . . . . 0.423 ' OD1' ' ND2' ' A' ' 141' ' ' ASN . 32.5 t0 -171.57 128.81 0.67 Allowed Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.524 1.14 . . . . 0.0 109.32 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 -4.65 15.7 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.498 1.789 . . . . 0.0 110.986 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 141' ' ' ASN . . . . . 0.423 ' ND2' ' OD1' ' A' ' 139' ' ' ASP . 81.9 m-20 -87.09 -24.46 24.56 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.531 1.144 . . . . 0.0 109.261 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -48.42 142.76 5.4 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.526 1.141 . . . . 0.0 109.289 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 143' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 70.94 111.85 0.06 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.432 1.082 . . . . 0.0 109.227 179.942 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 11.8 mt . . . . . 0 C--N 1.325 -0.467 0 O-C-N 124.499 1.124 . . . . 0.0 109.304 179.943 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.434 ' O ' ' CG2' ' A' ' 2' ' ' VAL . 21.8 mtt . . . . . 0 N--CA 1.452 -0.343 0 CA-C-O 120.502 0.191 . . . . 0.0 110.96 . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . 0.506 ' N ' ' HD3' ' A' ' 3' ' ' PRO . 82.0 t -154.94 60.06 2.54 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.49 1.119 . . . . 0.0 109.274 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . 0.506 ' HD3' ' N ' ' A' ' 2' ' ' VAL . 18.3 Cg_endo -75.04 -90.19 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.469 1.773 . . . . 0.0 111.011 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . 0.423 ' O ' ' N ' ' A' ' 8' ' ' THR . 9.6 p-80 -52.3 -30.91 30.5 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.449 1.093 . . . . 0.0 109.646 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' THR . . . . . 0.48 ' CG2' HG12 ' A' ' 2' ' ' VAL . 1.3 m -57.49 -55.24 37.41 Favored 'General case' 0 C--N 1.323 -0.563 0 O-C-N 124.51 1.131 . . . . 0.0 110.361 179.928 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -70.87 -40.69 72.13 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.442 1.089 . . . . 0.0 109.347 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 2.9 m -64.57 -22.05 66.86 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.35 1.031 . . . . 0.0 109.965 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' THR . . . . . 0.456 ' O ' ' N ' ' A' ' 10' ' ' LYS . 1.3 m -73.56 -27.88 61.57 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.534 1.146 . . . . 0.0 110.436 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.49 ' O ' ' CB ' ' A' ' 17' ' ' ALA . 4.6 mm? -63.12 79.71 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.522 1.139 . . . . 0.0 109.294 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . 0.456 ' N ' ' O ' ' A' ' 8' ' ' THR . 2.1 mttp -81.46 145.32 30.81 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.517 1.136 . . . . 0.0 109.377 179.948 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 25.4 p -79.18 170.98 15.84 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.482 1.114 . . . . 0.0 110.455 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -63.45 -12.28 30.21 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.516 1.135 . . . . 0.0 109.361 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . 0.439 ' OD1' ' N ' ' A' ' 13' ' ' ASP . 0.0 OUTLIER -98.64 26.34 5.68 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.544 1.153 . . . . 0.0 109.297 179.996 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 49.32 35.5 7.87 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.557 1.16 . . . . 0.0 109.238 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -109.73 147.82 36.92 Favored Pre-proline 0 C--N 1.324 -0.517 0 O-C-N 124.542 1.151 . . . . 0.0 110.277 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 130.88 13.67 Favored 'Trans proline' 0 C--N 1.361 1.205 0 O-C-N 124.514 1.797 . . . . 0.0 111.007 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . 0.49 ' CB ' ' O ' ' A' ' 9' ' ' LEU . . . -57.84 -30.91 66.15 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.505 1.128 . . . . 0.0 109.358 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 8.6 t -49.63 -31.49 10.93 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.479 1.112 . . . . 0.0 109.939 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 94.0 t -57.74 -27.42 30.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.455 1.097 . . . . 0.0 109.355 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 13.1 m-85 -103.94 22.17 15.06 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.485 1.116 . . . . 0.0 110.994 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 2.4 mp -146.37 102.87 3.64 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.5 1.125 . . . . 0.0 109.332 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 9.3 ptmt -176.29 177.86 1.45 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.493 1.121 . . . . 0.0 109.285 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 69.23 24.63 5.92 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.506 1.129 . . . . 0.0 109.23 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 61.0 m-20 47.05 36.24 4.04 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.591 1.182 . . . . 0.0 109.304 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.412 ' HD2' ' CD ' ' A' ' 26' ' ' PRO . 7.2 mmtm -100.35 159.26 30.21 Favored Pre-proline 0 C--N 1.323 -0.556 0 O-C-N 124.522 1.139 . . . . 0.0 109.336 -179.911 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . 0.412 ' CD ' ' HD2' ' A' ' 25' ' ' LYS . 18.2 Cg_endo -74.94 154.34 42.75 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.54 1.81 . . . . 0.0 110.968 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 91.4 m -128.56 135.18 49.02 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.486 1.116 . . . . 0.0 110.44 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 4.9 tp -113.73 134.94 54.45 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.447 1.092 . . . . 0.0 109.336 179.906 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 5.6 mm -115.14 146.74 19.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.517 1.136 . . . . 0.0 109.342 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.573 ' HB2' ' CE3' ' A' ' 111' ' ' TRP . 24.5 tttt -138.8 122.08 17.05 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.501 1.125 . . . . 0.0 109.328 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . 0.684 ' CZ ' ' CD1' ' A' ' 105' ' ' ILE . 49.0 m-85 -93.86 131.38 39.32 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.445 1.09 . . . . 0.0 110.979 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' TRP . . . . . 0.58 ' CH2' HD11 ' A' ' 43' ' ' LEU . 12.7 p-90 -138.37 170.9 15.21 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.512 1.133 . . . . 0.0 107.991 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -134.06 153.61 51.69 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.434 1.084 . . . . 0.0 109.247 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' SER . . . . . 0.435 ' HB3' ' CZ3' ' A' ' 80' ' ' TRP . 0.5 OUTLIER -78.21 -32.29 49.84 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.469 1.106 . . . . 0.0 110.028 -179.971 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 51.1 p-90 -78.48 -3.86 45.62 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 107.999 -1.111 . . . . 0.0 107.999 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 41.8 t -98.63 118.1 63.61 Favored Pre-proline 0 C--N 1.324 -0.527 0 O-C-N 124.56 1.163 . . . . 0.0 108.276 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.98 -54.29 0.09 OUTLIER 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.472 1.775 . . . . 0.0 111.008 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -47.68 -30.55 3.87 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.472 1.108 . . . . 0.0 109.312 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 1.3 m -74.59 -56.75 4.48 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.504 1.127 . . . . 0.0 108.398 179.877 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.418 ' CD1' ' O ' ' A' ' 34' ' ' SER . 0.4 OUTLIER -51.04 -41.04 59.61 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.522 1.139 . . . . 0.0 109.356 179.935 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 3.4 m -72.36 -25.79 61.66 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.491 1.119 . . . . 0.0 110.009 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 13.0 tt0 -82.73 -19.23 38.35 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.502 1.126 . . . . 0.0 110.375 179.921 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.58 HD11 ' CH2' ' A' ' 32' ' ' TRP . 13.5 mt -56.89 -54.86 41.71 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.393 1.058 . . . . 0.0 109.313 179.945 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -48.34 -50.75 22.81 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.425 1.078 . . . . 0.0 110.975 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . 0.473 ' HG2' ' CZ2' ' A' ' 49' ' ' TRP . 2.0 tp-100 -66.19 -32.3 73.65 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.484 0.756 . . . . 0.0 110.393 179.9 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 4.1 m -70.1 -28.94 65.81 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.553 1.158 . . . . 0.0 110.393 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 31.1 tt0 -73.99 -34.46 64.21 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.408 1.067 . . . . 0.0 110.284 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 26.1 tttt -78.18 -37.29 46.05 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.585 1.178 . . . . 0.0 109.313 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' TRP . . . . . 0.479 ' HB3' ' CE2' ' A' ' 55' ' ' PHE . 45.4 m0 -65.73 -34.31 77.9 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 107.94 -1.133 . . . . 0.0 107.94 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -74.23 -9.0 58.18 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.48 1.112 . . . . 0.0 109.348 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 9.7 mm100 -104.04 -14.7 15.83 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.493 1.121 . . . . 0.0 110.344 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 2.6 t0 -63.61 137.2 58.01 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.475 1.109 . . . . 0.0 109.336 179.919 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -60.23 -46.79 88.56 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.504 1.127 . . . . 0.0 109.277 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.29 -39.74 60.89 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.502 1.126 . . . . 0.0 109.275 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . 0.673 ' CZ ' ' CB ' ' A' ' 133' ' ' ALA . 1.2 m-85 -77.05 -28.52 54.77 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.427 1.079 . . . . 0.0 111.03 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' SER . . . . . 0.409 ' O ' ' C ' ' A' ' 57' ' ' SER . 3.2 t -49.5 -40.25 36.87 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.486 1.116 . . . . 0.0 110.006 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' SER . . . . . 0.409 ' C ' ' O ' ' A' ' 56' ' ' SER . 32.5 t -38.5 -58.46 1.03 Allowed 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.515 1.134 . . . . 0.0 110.051 179.93 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -101.92 165.74 11.02 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.442 1.088 . . . . 0.0 109.344 179.908 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 3.8 m-20 -88.98 124.75 34.55 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.497 1.123 . . . . 0.0 109.289 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.568 HD11 ' CE1' ' A' ' 55' ' ' PHE . 7.8 tt -112.91 125.89 54.87 Favored 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.471 1.107 . . . . 0.0 109.277 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 16.1 pt -151.83 160.83 3.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.486 1.116 . . . . 0.0 109.256 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 36.6 p -114.64 154.65 28.0 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.49 1.119 . . . . 0.0 110.345 -179.934 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 2.4 t -123.97 145.68 30.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.406 1.067 . . . . 0.0 109.284 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . 0.466 ' N ' ' O ' ' A' ' 92' ' ' VAL . . . -134.3 149.53 50.91 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.525 1.141 . . . . 0.0 109.338 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' SER . . . . . 0.475 ' CB ' ' HB3' ' A' ' 68' ' ' PHE . 9.1 m -121.81 108.97 34.42 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.45 1.094 . . . . 0.0 109.925 -179.929 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . 0.416 ' HD2' ' O ' ' A' ' 94' ' ' ASP . 18.2 Cg_endo -75.06 138.65 23.17 Favored 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.526 1.803 . . . . 0.0 110.989 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 62.83 12.46 42.19 Favored Glycine 0 CA--C 1.531 1.083 0 O-C-N 124.5 1.125 . . . . 0.0 111.034 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . 0.557 ' CE2' HD23 ' A' ' 69' ' ' LEU . 71.6 t80 -121.17 130.63 53.81 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.483 0.755 . . . . 0.0 110.992 -179.867 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.557 HD23 ' CE2' ' A' ' 68' ' ' PHE . 1.2 mm? 71.38 43.49 0.61 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.529 1.143 . . . . 0.0 109.294 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 1.9 t60 59.44 18.29 6.72 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.524 1.14 . . . . 0.0 109.569 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . 0.413 ' HG3' ' N ' ' A' ' 72' ' ' LYS . 4.0 tp10 -84.2 149.99 25.78 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.537 1.148 . . . . 0.0 110.303 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . 0.413 ' N ' ' HG3' ' A' ' 71' ' ' GLU . 2.1 mttt -49.16 138.37 12.37 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.424 1.078 . . . . 0.0 109.289 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 15.6 mttp -64.59 165.72 9.7 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.469 1.106 . . . . 0.0 109.361 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -52.57 156.49 1.84 Allowed 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.545 1.153 . . . . 0.0 109.32 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . 0.414 ' CA ' ' HG3' ' A' ' 78' ' ' GLN . . . 77.3 -52.48 3.41 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.385 1.053 . . . . 0.0 110.932 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -57.37 -54.28 48.58 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.496 0.762 . . . . 0.0 109.288 -179.898 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 80.8 t80 -59.32 -28.83 67.16 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.534 1.146 . . . . 0.0 110.929 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' GLN . . . . . 0.414 ' HG3' ' CA ' ' A' ' 75' ' ' GLY . 5.5 mt-30 -69.22 -29.26 67.17 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.378 1.048 . . . . 0.0 110.238 -179.914 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.57 -41.25 69.26 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.125 . . . . 0.0 109.142 -179.92 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' TRP . . . . . 0.435 ' CZ3' ' HB3' ' A' ' 34' ' ' SER . 3.4 t90 -55.55 -54.04 48.88 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 107.969 -1.123 . . . . 0.0 107.969 -179.908 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 8.6 t80 -56.69 -33.64 66.64 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.436 1.085 . . . . 0.0 110.965 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -61.88 -15.26 41.16 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.574 1.171 . . . . 0.0 109.291 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -103.42 -20.11 11.46 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.401 1.063 . . . . 0.0 110.983 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 30.0 mt -78.69 114.76 17.89 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.545 0.791 . . . . 0.0 109.36 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' ASN . . . . . 0.476 ' O ' ' CD1' ' A' ' 86' ' ' TYR . 5.7 m120 -84.79 71.04 10.9 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.571 1.169 . . . . 0.0 109.356 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' TYR . . . . . 0.476 ' CD1' ' O ' ' A' ' 85' ' ' ASN . 27.9 m-85 -147.56 67.81 10.64 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.523 1.14 . . . . 0.0 111.022 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 0.06 9.34 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.558 1.82 . . . . 0.0 110.983 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 10.8 mmtm -104.03 11.79 34.9 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.574 1.171 . . . . 0.0 109.277 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 4.3 tp -116.45 124.07 29.91 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.52 1.137 . . . . 0.0 109.365 179.918 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 127.02 10.33 Favored 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.431 1.753 . . . . 0.0 111.032 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 15.5 t -140.54 118.92 10.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.509 1.13 . . . . 0.0 109.243 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . 0.466 ' O ' ' N ' ' A' ' 64' ' ' ALA . 43.9 t -107.91 143.26 18.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.473 1.108 . . . . 0.0 109.32 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 10.8 p -121.6 120.13 33.9 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.47 1.106 . . . . 0.0 110.33 -179.936 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . 0.47 ' HB2' ' CD1' ' A' ' 9' ' ' LEU . 50.2 t0 -115.15 109.97 18.82 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.515 1.134 . . . . 0.0 109.284 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 1.3 m120 -61.03 109.01 0.97 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.52 1.137 . . . . 0.0 109.271 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 88.93 -24.56 12.45 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.478 1.111 . . . . 0.0 111.049 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 72.29 77.48 0.55 Allowed Glycine 0 CA--C 1.529 0.952 0 N-CA-C 111.026 -0.83 . . . . 0.0 111.026 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 3.4 m -64.9 -43.74 91.88 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.456 0.739 . . . . 0.0 110.353 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 3.5 mt -76.63 -36.05 26.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.495 1.122 . . . . 0.0 109.308 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -62.14 -42.71 99.51 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.483 1.115 . . . . 0.0 109.328 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -80.54 -36.55 32.93 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.591 1.182 . . . . 0.0 110.268 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 47.7 t -65.98 -29.35 69.72 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.597 1.185 . . . . 0.0 109.993 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 27.4 mt -92.12 -13.09 31.28 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.501 1.126 . . . . 0.0 109.35 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 13.4 t-20 68.74 40.71 1.73 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.538 1.149 . . . . 0.0 109.279 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 105' ' ' ILE . . . . . 0.684 ' CD1' ' CZ ' ' A' ' 31' ' ' PHE . 47.8 mt -74.76 -86.04 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.484 1.115 . . . . 0.0 109.306 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 106' ' ' SER . . . . . 0.406 ' OG ' ' O ' ' A' ' 105' ' ' ILE . 66.1 p 53.77 23.47 3.78 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.5 1.125 . . . . 0.0 109.964 179.914 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 2.8 p -144.46 131.77 16.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.573 1.17 . . . . 0.0 109.285 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 108' ' ' TYR . . . . . 0.58 ' CE1' ' HB3' ' A' ' 31' ' ' PHE . 12.6 m-85 -131.83 152.52 80.47 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.43 1.081 . . . . 0.0 110.994 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 109' ' ' PRO . . . . . 0.503 ' C ' ' HA ' ' A' ' 108' ' ' TYR . 18.1 Cg_endo -75.05 170.06 72.87 Favored 'Cis proline' 0 C--N 1.36 1.156 0 C-N-CA 121.052 -2.478 . . . . 0.0 110.952 0.067 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 8.0 m -155.28 149.4 25.79 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.491 1.119 . . . . 0.0 109.998 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 111' ' ' TRP . . . . . 0.573 ' CE3' ' HB2' ' A' ' 30' ' ' LYS . 64.6 m95 -128.49 137.46 51.8 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.532 1.145 . . . . 0.0 108.062 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -129.19 143.19 50.77 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.489 1.118 . . . . 0.0 109.368 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 21.5 tp -108.78 133.98 52.09 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.439 1.087 . . . . 0.0 109.251 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 5.4 mm -122.88 108.91 22.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 O-C-N 124.415 1.072 . . . . 0.0 109.333 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -47.81 173.53 0.03 OUTLIER Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.453 1.096 . . . . 0.0 111.01 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.16 -17.85 64.98 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.448 0.734 . . . . 0.0 109.27 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -75.38 -23.81 57.14 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.495 1.122 . . . . 0.0 109.257 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . 97.73 22.64 15.5 Favored Glycine 0 CA--C 1.531 1.068 0 O-C-N 124.463 1.102 . . . . 0.0 110.943 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 2.1 p30 -120.66 145.45 47.43 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.554 0.797 . . . . 0.0 109.27 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 94.3 t -55.33 116.34 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 O-C-N 124.395 1.06 . . . . 0.0 109.356 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 8.4 pt20 -101.89 -32.27 10.3 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.545 1.153 . . . . 0.0 110.365 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 21.7 ttt180 -149.2 141.7 24.33 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.547 1.155 . . . . 0.0 110.309 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 123' ' ' ILE . . . . . . . . . . . . . 3.4 tt -122.46 135.05 63.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.459 1.099 . . . . 0.0 109.294 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 37.1 t -128.47 138.55 54.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.548 1.155 . . . . 0.0 109.369 179.924 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 4.1 mtmp? -118.19 116.66 27.27 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.426 1.079 . . . . 0.0 109.323 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . 126.41 -155.7 19.55 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.558 1.161 . . . . 0.0 111.065 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -113.73 163.74 14.62 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.472 0.748 . . . . 0.0 110.035 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 128' ' ' ILE . . . . . . . . . . . . . 13.4 pt -143.63 167.22 13.19 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 O-C-N 124.551 1.157 . . . . 0.0 109.309 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 129' ' ' ASN . . . . . . . . . . . . . 3.7 p30 -108.46 168.22 9.48 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.504 1.127 . . . . 0.0 109.267 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 34.7 tt0 -57.2 -27.18 61.74 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.441 1.088 . . . . 0.0 110.284 -179.919 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -68.47 -51.67 40.91 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.543 1.152 . . . . 0.0 109.292 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 3.0 mt-30 -51.0 -45.68 61.23 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.576 1.173 . . . . 0.0 110.261 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 133' ' ' ALA . . . . . 0.673 ' CB ' ' CZ ' ' A' ' 55' ' ' PHE . . . -55.74 -50.29 70.79 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.578 1.174 . . . . 0.0 109.327 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 2.6 mt -48.97 -41.38 33.96 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.455 1.097 . . . . 0.0 109.358 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -61.73 -42.69 99.3 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.492 1.12 . . . . 0.0 109.311 179.923 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 27.8 mt -57.76 -55.22 37.72 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.427 1.08 . . . . 0.0 109.307 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 137' ' ' ILE . . . . . . . . . . . . . 3.3 mt -62.3 -18.52 20.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.53 1.144 . . . . 0.0 109.35 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -83.16 -47.55 11.48 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.442 1.089 . . . . 0.0 110.374 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 47.5 t0 -167.49 125.47 0.98 Allowed Pre-proline 0 C--N 1.326 -0.44 0 O-C-N 124.532 1.145 . . . . 0.0 109.232 179.933 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.01 -22.31 14.92 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.488 1.783 . . . . 0.0 111.002 179.929 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 141' ' ' ASN . . . . . . . . . . . . . 48.8 m-80 -70.9 -14.88 62.54 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.467 1.104 . . . . 0.0 109.324 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -56.04 108.17 0.43 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.473 1.108 . . . . 0.0 109.344 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 143' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER 62.51 101.85 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.472 1.108 . . . . 0.0 109.333 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 18.1 mt . . . . . 0 C--N 1.326 -0.423 0 O-C-N 124.403 1.064 . . . . 0.0 109.285 -179.966 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.514 ' O ' ' CG2' ' A' ' 2' ' ' VAL . 6.6 mtt . . . . . 0 N--CA 1.452 -0.374 0 CA-C-O 120.494 0.188 . . . . 0.0 111.06 . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . 0.515 ' N ' ' CD ' ' A' ' 3' ' ' PRO . 0.9 OUTLIER 163.08 -51.7 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.605 1.191 . . . . 0.0 109.284 -179.972 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . 0.515 ' CD ' ' N ' ' A' ' 2' ' ' VAL . 18.3 Cg_endo -74.99 -23.78 13.48 Favored 'Trans proline' 0 C--N 1.359 1.113 0 O-C-N 124.498 1.788 . . . . 0.0 111.013 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 10.1 t-80 -73.19 -36.85 66.62 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.493 1.12 . . . . 0.0 109.63 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 4.0 m -79.99 -42.76 23.26 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.549 1.156 . . . . 0.0 110.387 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -59.28 -39.34 82.64 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.427 1.079 . . . . 0.0 109.291 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 1.2 t -64.82 -22.93 67.09 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.596 1.185 . . . . 0.0 109.99 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 1.8 m -84.04 -17.64 39.7 Favored 'General case' 0 C--N 1.323 -0.555 0 O-C-N 124.588 1.18 . . . . 0.0 110.43 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.45 HD13 ' CB ' ' A' ' 94' ' ' ASP . 10.9 mt -84.88 165.6 17.55 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.555 1.16 . . . . 0.0 109.223 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -131.88 160.47 35.59 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.462 1.101 . . . . 0.0 109.337 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 35.7 p -92.76 179.05 5.59 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.501 1.125 . . . . 0.0 110.358 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -64.17 -14.11 52.98 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.39 1.056 . . . . 0.0 109.306 179.925 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -97.17 15.17 23.44 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.561 1.163 . . . . 0.0 109.299 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 56.6 28.96 14.78 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.468 1.105 . . . . 0.0 109.304 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -101.88 157.78 33.03 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.416 1.073 . . . . 0.0 110.349 179.946 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 125.97 9.68 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.433 1.754 . . . . 0.0 111.02 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -60.63 -34.9 74.94 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.539 1.15 . . . . 0.0 109.318 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 8.5 t -50.73 -29.82 12.35 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.488 1.118 . . . . 0.0 110.041 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -61.73 -35.87 70.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.432 1.083 . . . . 0.0 109.322 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 20.8 m-85 -94.87 19.71 9.82 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.551 1.157 . . . . 0.0 111.055 179.93 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.415 HD11 ' CG2' ' A' ' 27' ' ' THR . 0.6 OUTLIER -119.28 120.27 36.5 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.391 1.057 . . . . 0.0 109.29 179.983 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . 0.405 ' O ' ' N ' ' A' ' 24' ' ' ASP . 0.0 OUTLIER -97.44 106.07 18.32 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.522 1.139 . . . . 0.0 109.358 179.924 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.22 56.45 0.15 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.517 1.136 . . . . 0.0 109.335 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . 0.405 ' N ' ' O ' ' A' ' 22' ' ' LYS . 0.5 OUTLIER 169.32 37.68 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.524 1.14 . . . . 0.0 109.269 -179.932 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -170.47 162.87 6.04 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.547 1.154 . . . . 0.0 109.28 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.91 142.92 28.75 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.465 1.771 . . . . 0.0 111.041 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' THR . . . . . 0.415 ' CG2' HD11 ' A' ' 21' ' ' LEU . 23.9 m -117.4 124.93 50.07 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.532 1.145 . . . . 0.0 110.334 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 15.1 tp -107.97 128.15 54.39 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.443 1.089 . . . . 0.0 109.34 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 2.5 mt -107.62 150.41 10.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.529 1.143 . . . . 0.0 109.279 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.492 ' HD2' ' CZ2' ' A' ' 111' ' ' TRP . 2.7 tttp -138.79 110.67 7.2 Favored 'General case' 0 C--N 1.326 -0.415 0 O-C-N 124.484 1.115 . . . . 0.0 109.232 -179.94 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . 0.581 ' HB3' ' CE1' ' A' ' 108' ' ' TYR . 62.6 m-85 -83.47 126.52 32.86 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.566 1.166 . . . . 0.0 111.019 179.921 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' TRP . . . . . 0.568 ' CH2' HD13 ' A' ' 43' ' ' LEU . 5.2 p-90 -134.31 167.03 21.46 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.477 1.11 . . . . 0.0 108.034 179.895 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -138.86 138.79 37.8 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.495 1.122 . . . . 0.0 109.259 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -61.86 -43.83 98.05 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.124 . . . . 0.0 110.075 179.933 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 31.2 p-90 -65.04 -19.35 65.95 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 107.98 -1.119 . . . . 0.0 107.98 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 43.0 t -83.63 116.0 62.38 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.436 1.085 . . . . 0.0 108.294 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -54.31 0.09 OUTLIER 'Trans proline' 0 C--N 1.361 1.222 0 O-C-N 124.461 1.769 . . . . 0.0 111.017 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -47.96 -32.7 6.76 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.519 1.137 . . . . 0.0 109.313 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 4.1 m -68.61 -57.45 5.71 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.494 1.121 . . . . 0.0 108.245 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 16.9 mt -50.83 -52.18 43.9 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.502 1.126 . . . . 0.0 109.24 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.3 p -52.4 -25.32 9.59 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.558 1.161 . . . . 0.0 110.034 -179.913 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -93.36 -32.14 14.38 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.503 1.127 . . . . 0.0 110.343 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.568 HD13 ' CH2' ' A' ' 32' ' ' TRP . 0.2 OUTLIER -44.17 -54.43 5.63 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.533 1.146 . . . . 0.0 109.391 179.929 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -52.48 -52.87 34.91 Favored Glycine 0 CA--C 1.529 0.925 0 O-C-N 124.485 1.116 . . . . 0.0 111.035 179.879 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . 0.559 ' CD ' ' CZ2' ' A' ' 49' ' ' TRP . 43.9 tt0 -62.07 -30.02 70.7 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.442 0.73 . . . . 0.0 110.326 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 98.3 m -68.67 -38.89 80.73 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.553 1.158 . . . . 0.0 110.428 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 17.7 tt0 -60.98 -37.68 83.31 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.474 1.109 . . . . 0.0 110.281 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 5.4 ttpt -78.52 -37.52 42.85 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.489 1.118 . . . . 0.0 109.301 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' TRP . . . . . 0.559 ' CZ2' ' CD ' ' A' ' 45' ' ' GLN . 34.4 m0 -60.87 -31.47 70.94 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 107.952 -1.129 . . . . 0.0 107.952 -179.947 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -74.26 -8.88 57.77 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.616 1.197 . . . . 0.0 109.305 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 4.9 mt-30 -101.14 -10.6 20.28 Favored 'General case' 0 C--N 1.326 -0.413 0 O-C-N 124.485 1.115 . . . . 0.0 110.319 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 4.1 t70 -67.58 124.63 23.76 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.46 1.1 . . . . 0.0 109.286 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -52.21 -45.53 65.27 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.434 1.084 . . . . 0.0 109.287 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . 0.439 ' HB3' ' CD2' ' A' ' 134' ' ' LEU . 0.0 OUTLIER -50.17 -47.18 54.6 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.446 1.091 . . . . 0.0 109.352 -179.979 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . 0.473 ' CE1' HD11 ' A' ' 60' ' ' LEU . 0.6 OUTLIER -67.88 -28.09 67.23 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.377 1.048 . . . . 0.0 111.067 179.961 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' SER . . . . . 0.403 ' O ' ' C ' ' A' ' 57' ' ' SER . 1.0 OUTLIER -46.52 -40.25 12.25 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.464 1.103 . . . . 0.0 109.939 179.995 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' SER . . . . . 0.403 ' C ' ' O ' ' A' ' 56' ' ' SER . 69.8 m -39.42 -62.97 0.61 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.523 1.14 . . . . 0.0 109.987 -179.908 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . 0.406 ' O ' ' O ' ' A' ' 55' ' ' PHE . . . -100.65 165.99 11.12 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.529 1.143 . . . . 0.0 109.197 -179.941 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 67.6 m-80 -89.03 131.72 35.08 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.52 1.138 . . . . 0.0 109.241 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.494 ' C ' ' CD2' ' A' ' 60' ' ' LEU . 3.4 tt -118.39 127.03 53.29 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.48 1.113 . . . . 0.0 109.268 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . 0.46 ' CD1' HG23 ' A' ' 92' ' ' VAL . 0.9 OUTLIER -151.73 160.93 3.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 O-C-N 124.581 1.175 . . . . 0.0 109.237 179.995 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' THR . . . . . 0.542 ' HB ' ' CD1' ' A' ' 32' ' ' TRP . 41.5 p -115.72 150.05 37.46 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.455 1.097 . . . . 0.0 110.395 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 3.4 t -123.79 145.24 31.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.439 1.087 . . . . 0.0 109.309 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . 0.411 ' N ' ' O ' ' A' ' 92' ' ' VAL . . . -132.9 149.7 52.23 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.457 1.098 . . . . 0.0 109.33 179.909 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 2.6 p -126.62 108.92 22.96 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.49 1.119 . . . . 0.0 109.962 -179.934 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . 0.411 ' HD2' ' O ' ' A' ' 94' ' ' ASP . 18.5 Cg_endo -74.92 131.38 14.32 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.485 1.782 . . . . 0.0 111.094 179.903 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 86.62 -14.5 55.44 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.495 1.122 . . . . 0.0 110.991 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . 0.439 ' O ' ' HB2' ' A' ' 71' ' ' GLU . 0.5 OUTLIER -98.86 131.46 44.94 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.452 0.736 . . . . 0.0 111.035 -179.987 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.584 ' CD2' ' CE2' ' A' ' 108' ' ' TYR . 11.0 mp 66.84 14.54 9.85 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.564 1.165 . . . . 0.0 109.275 -179.951 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER 74.84 43.08 0.24 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.522 1.139 . . . . 0.0 109.595 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . 0.439 ' HB2' ' O ' ' A' ' 68' ' ' PHE . 0.2 OUTLIER -94.56 142.36 27.53 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.488 1.117 . . . . 0.0 110.317 180.0 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -42.28 119.98 1.52 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.45 1.094 . . . . 0.0 109.311 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 6.0 tptm -62.41 151.67 36.37 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.613 1.196 . . . . 0.0 109.402 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -44.82 141.59 2.08 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.481 1.113 . . . . 0.0 109.277 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . 0.492 ' CA ' ' HG2' ' A' ' 78' ' ' GLN . . . 91.71 -50.35 2.89 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.556 1.16 . . . . 0.0 110.99 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -71.64 -35.0 70.27 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.535 0.786 . . . . 0.0 109.34 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 33.7 t80 -71.86 -29.75 64.7 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.522 1.139 . . . . 0.0 111.062 179.913 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' GLN . . . . . 0.492 ' HG2' ' CA ' ' A' ' 75' ' ' GLY . 2.8 mm100 -68.43 -36.85 79.65 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.483 1.115 . . . . 0.0 110.313 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 9.1 mttt -61.01 -39.22 88.9 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.535 1.147 . . . . 0.0 109.276 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' TRP . . . . . . . . . . . . . 2.6 t90 -60.7 -52.34 65.53 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 108.02 -1.104 . . . . 0.0 108.02 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' TYR . . . . . 0.578 ' CD1' ' CE1' ' A' ' 86' ' ' TYR . 0.1 OUTLIER -52.66 -29.24 25.36 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.56 1.162 . . . . 0.0 111.003 179.992 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -70.42 -8.53 51.58 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.544 1.153 . . . . 0.0 109.355 179.927 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -94.93 -26.71 12.16 Favored Glycine 0 CA--C 1.531 1.073 0 O-C-N 124.481 1.113 . . . . 0.0 111.006 -179.917 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . 0.519 ' CD1' ' N ' ' A' ' 84' ' ' LEU . 0.0 OUTLIER -138.77 65.08 1.46 Allowed 'General case' 0 C--N 1.327 -0.396 0 O-C-N 124.547 0.793 . . . . 0.0 109.267 -179.999 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 56.6 m-20 -47.55 157.34 0.24 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.524 1.14 . . . . 0.0 109.345 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' TYR . . . . . 0.613 ' N ' ' CD1' ' A' ' 86' ' ' TYR . 0.0 OUTLIER 178.97 81.23 0.17 Allowed Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.547 1.155 . . . . 0.0 110.981 179.989 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.0 1.65 7.5 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.543 1.812 . . . . 0.0 110.991 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 17.5 mttt -102.85 6.96 39.47 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.53 1.144 . . . . 0.0 109.33 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 1.9 tp -123.18 119.79 27.51 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.433 1.083 . . . . 0.0 109.369 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 90' ' ' PRO . . . . . 0.404 ' HG2' ' HA ' ' A' ' 61' ' ' ILE . 18.5 Cg_endo -74.92 127.34 10.67 Favored 'Trans proline' 0 C--N 1.358 1.062 0 O-C-N 124.432 1.754 . . . . 0.0 111.021 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 7.5 t -145.8 117.94 2.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.473 1.108 . . . . 0.0 109.273 -179.938 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . 0.46 HG23 ' CD1' ' A' ' 61' ' ' ILE . 46.3 t -112.14 134.21 55.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.57 1.169 . . . . 0.0 109.238 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 4.7 p -108.24 116.43 31.94 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.532 1.145 . . . . 0.0 110.322 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . 0.45 ' CB ' HD13 ' A' ' 9' ' ' LEU . 59.8 t0 -109.59 110.5 21.59 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.555 1.16 . . . . 0.0 109.344 179.907 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 41.3 t-20 -58.77 113.54 2.09 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.466 1.104 . . . . 0.0 109.331 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 87.25 -21.23 21.95 Favored Glycine 0 CA--C 1.529 0.946 0 O-C-N 124.532 1.145 . . . . 0.0 110.977 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 66.8 74.38 0.55 Allowed Glycine 0 CA--C 1.53 0.975 0 N-CA-C 111.018 -0.833 . . . . 0.0 111.018 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 98' ' ' THR . . . . . 0.463 ' O ' ' CB ' ' A' ' 102' ' ' SER . 1.0 OUTLIER -69.2 -29.2 67.12 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.491 0.759 . . . . 0.0 110.43 179.962 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 3.3 mt -77.54 -36.13 22.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.485 1.115 . . . . 0.0 109.288 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -70.28 -39.78 74.69 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.415 1.072 . . . . 0.0 109.322 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 7.2 pt20 -80.11 -31.87 39.11 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.514 1.134 . . . . 0.0 110.3 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 102' ' ' SER . . . . . 0.463 ' CB ' ' O ' ' A' ' 98' ' ' THR . 11.1 t -63.57 -32.71 74.25 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.526 1.141 . . . . 0.0 109.99 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 7.6 mt -100.58 -8.05 23.4 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.513 1.133 . . . . 0.0 109.318 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 37.0 t30 62.07 62.01 1.27 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.552 1.157 . . . . 0.0 109.231 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 105' ' ' ILE . . . . . 0.47 ' CD1' ' CZ ' ' A' ' 31' ' ' PHE . 8.3 mt -94.83 -73.54 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.546 1.154 . . . . 0.0 109.315 179.951 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 26.5 p 53.05 27.34 5.62 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.51 1.131 . . . . 0.0 109.978 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 107' ' ' VAL . . . . . 0.406 HG11 ' CG2' ' A' ' 105' ' ' ILE . 2.4 p -148.51 131.97 8.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.431 1.082 . . . . 0.0 109.339 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 108' ' ' TYR . . . . . 0.584 ' CE2' ' CD2' ' A' ' 69' ' ' LEU . 15.8 m-85 -131.36 152.98 81.48 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.555 1.16 . . . . 0.0 110.994 -179.932 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 109' ' ' PRO . . . . . 0.504 ' C ' ' HA ' ' A' ' 108' ' ' TYR . 18.2 Cg_endo -74.99 173.59 57.08 Favored 'Cis proline' 0 C--N 1.36 1.181 0 C-N-CA 121.047 -2.48 . . . . 0.0 110.997 -0.014 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 110' ' ' SER . . . . . 0.406 ' O ' ' HA ' ' A' ' 30' ' ' LYS . 0.0 OUTLIER -155.59 154.04 31.06 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.576 1.173 . . . . 0.0 109.971 179.964 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 111' ' ' TRP . . . . . 0.492 ' CZ2' ' HD2' ' A' ' 30' ' ' LYS . 61.5 m95 -124.69 137.97 54.32 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.547 1.154 . . . . 0.0 107.992 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -129.52 136.32 49.71 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.482 1.114 . . . . 0.0 109.283 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 23.9 tp -108.64 133.72 52.35 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.415 1.072 . . . . 0.0 109.225 -179.931 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 5.0 mm -122.13 119.42 58.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.491 1.119 . . . . 0.0 109.228 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 115' ' ' GLY . . . . . 0.455 ' CA ' ' HG3' ' A' ' 121' ' ' GLN . . . -49.99 164.51 0.61 Allowed Glycine 0 CA--C 1.529 0.945 0 O-C-N 124.518 1.136 . . . . 0.0 110.934 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.61 -15.08 63.41 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.47 0.747 . . . . 0.0 109.276 -179.946 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -78.83 -22.53 46.02 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.492 1.12 . . . . 0.0 109.294 179.952 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . 101.42 28.02 6.95 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.478 1.111 . . . . 0.0 110.969 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 3.1 p-10 -126.17 153.13 45.07 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.577 0.81 . . . . 0.0 109.311 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 70.3 t -52.68 118.5 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.554 1.159 . . . . 0.0 109.304 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 121' ' ' GLN . . . . . 0.455 ' HG3' ' CA ' ' A' ' 115' ' ' GLY . 0.0 OUTLIER -96.01 -56.69 2.57 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.58 1.175 . . . . 0.0 110.39 179.941 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -151.7 150.7 30.52 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.535 1.147 . . . . 0.0 110.316 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 123' ' ' ILE . . . . . . . . . . . . . 14.0 tt -116.44 141.94 32.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 O-C-N 124.476 1.11 . . . . 0.0 109.318 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 16.0 t -134.24 130.34 54.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.469 1.106 . . . . 0.0 109.334 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -115.64 131.68 56.86 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.48 1.112 . . . . 0.0 109.254 -179.933 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . 121.87 -153.63 16.76 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.439 1.087 . . . . 0.0 111.008 -180.0 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -125.68 141.42 52.02 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.548 0.793 . . . . 0.0 109.938 -179.93 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 128' ' ' ILE . . . . . . . . . . . . . 4.1 pt -120.49 163.08 18.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.463 1.102 . . . . 0.0 109.323 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 129' ' ' ASN . . . . . . . . . . . . . 1.8 p30 -108.0 165.41 11.49 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.572 1.17 . . . . 0.0 109.344 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 130' ' ' GLU . . . . . 0.476 ' OE1' ' CD1' ' A' ' 49' ' ' TRP . 1.4 tt0 -51.24 -33.77 29.44 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.45 1.094 . . . . 0.0 110.318 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -56.99 -54.79 42.75 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.551 1.157 . . . . 0.0 109.289 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 5.6 mt-30 -51.24 -48.0 62.23 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.482 1.114 . . . . 0.0 110.277 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 133' ' ' ALA . . . . . 0.434 ' HB2' ' CZ ' ' A' ' 55' ' ' PHE . . . -52.74 -45.87 67.21 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.526 1.142 . . . . 0.0 109.281 -179.942 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 134' ' ' LEU . . . . . 0.439 ' CD2' ' HB3' ' A' ' 54' ' ' LYS . 61.1 mt -70.85 -53.06 16.62 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.475 1.109 . . . . 0.0 109.366 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -51.68 -21.73 2.91 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.56 1.162 . . . . 0.0 109.215 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 136' ' ' LEU . . . . . 0.461 ' HA ' ' CB ' ' A' ' 142' ' ' ALA . 3.9 tp -75.45 -45.02 41.18 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.509 1.131 . . . . 0.0 109.265 -179.927 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 137' ' ' ILE . . . . . . . . . . . . . 5.9 mt -81.19 -40.92 18.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 O-C-N 124.438 1.086 . . . . 0.0 109.327 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.57 -48.24 82.64 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.409 1.068 . . . . 0.0 110.4 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 139' ' ' ASP . . . . . 0.438 ' HB3' ' CB ' ' A' ' 142' ' ' ALA . 4.0 t70 -82.98 129.87 59.73 Favored Pre-proline 0 C--N 1.327 -0.398 0 O-C-N 124.522 1.139 . . . . 0.0 109.316 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -26.77 10.61 Favored 'Trans proline' 0 C--N 1.359 1.105 0 O-C-N 124.512 1.796 . . . . 0.0 110.974 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 141' ' ' ASN . . . . . . . . . . . . . 59.4 m-20 -79.08 -15.88 57.55 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.451 1.094 . . . . 0.0 109.269 -179.938 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 142' ' ' ALA . . . . . 0.461 ' CB ' ' HA ' ' A' ' 136' ' ' LEU . . . -91.79 94.83 9.54 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.59 1.181 . . . . 0.0 109.242 -179.924 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 143' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER 60.82 158.79 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.508 1.13 . . . . 0.0 109.272 179.935 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 1.8 mt . . . . . 0 C--N 1.324 -0.523 0 O-C-N 124.522 1.139 . . . . 0.0 109.333 179.983 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 24.6 mtt . . . . . 0 N--CA 1.453 -0.308 0 CA-C-O 120.493 0.187 . . . . 0.0 111.024 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . 0.413 ' CG2' ' HD2' ' A' ' 3' ' ' PRO . 0.4 OUTLIER -159.62 151.29 16.71 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.533 1.146 . . . . 0.0 109.339 179.96 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . 0.413 ' HD2' ' CG2' ' A' ' 2' ' ' VAL . 18.1 Cg_endo -74.91 -35.79 3.02 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.472 1.775 . . . . 0.0 111.036 -179.943 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 1.5 t-80 -47.56 -61.37 1.96 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.54 1.15 . . . . 0.0 109.577 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 4.9 m -58.4 -45.76 87.75 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.55 1.156 . . . . 0.0 110.368 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 21.6 tp -53.72 -44.04 69.55 Favored 'General case' 0 C--N 1.323 -0.555 0 O-C-N 124.52 1.138 . . . . 0.0 109.327 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 6.5 t -68.67 -22.88 64.36 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.589 1.181 . . . . 0.0 110.034 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 2.5 m -82.54 -27.46 31.64 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.556 1.16 . . . . 0.0 110.4 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 49.4 mt -47.21 153.84 0.44 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.523 1.139 . . . . 0.0 109.376 179.943 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 11.0 mttt -133.83 150.58 51.41 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.508 1.13 . . . . 0.0 109.197 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 37.9 p -83.63 -179.13 7.24 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.475 1.11 . . . . 0.0 110.45 179.929 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . 0.555 ' HB2' ' CD2' ' A' ' 81' ' ' TYR . . . -75.37 -3.52 34.09 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.531 1.144 . . . . 0.0 109.287 -179.954 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -104.99 18.16 22.86 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.515 1.134 . . . . 0.0 109.313 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 58.8 33.41 23.04 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.516 1.135 . . . . 0.0 109.29 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -108.57 146.05 32.88 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.46 1.1 . . . . 0.0 110.276 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . 0.477 ' HG2' ' CG2' ' A' ' 19' ' ' VAL . 18.3 Cg_endo -75.03 136.6 20.55 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.575 1.829 . . . . 0.0 110.962 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -70.68 -27.9 64.37 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.426 1.079 . . . . 0.0 109.352 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' SER . . . . . 0.406 ' HA ' ' CD2' ' A' ' 21' ' ' LEU . 55.0 p -56.18 -18.38 10.0 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.501 1.125 . . . . 0.0 110.05 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . 0.477 ' CG2' ' HG2' ' A' ' 16' ' ' PRO . 73.8 t -62.29 -31.21 50.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.395 1.06 . . . . 0.0 109.222 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 23.3 m-85 -121.75 28.81 7.44 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.506 1.129 . . . . 0.0 110.932 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.445 ' O ' ' N ' ' A' ' 23' ' ' LYS . 0.4 OUTLIER -71.21 100.75 2.15 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.487 1.117 . . . . 0.0 109.199 -179.962 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . 0.551 ' CD ' ' O ' ' A' ' 25' ' ' LYS . 0.1 OUTLIER -39.6 98.58 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.47 1.106 . . . . 0.0 109.248 179.983 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.551 ' O ' ' CB ' ' A' ' 24' ' ' ASP . 17.7 tttt -67.04 64.86 0.06 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.461 1.101 . . . . 0.0 109.256 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . 0.551 ' CB ' ' O ' ' A' ' 23' ' ' LYS . 3.2 t70 85.82 31.22 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.52 1.137 . . . . 0.0 109.274 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.551 ' O ' ' CD ' ' A' ' 22' ' ' LYS . 15.2 mtpt -124.23 165.2 25.5 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.526 1.141 . . . . 0.0 109.296 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . 0.405 ' HD2' ' HB3' ' A' ' 25' ' ' LYS . 18.0 Cg_endo -75.0 134.48 17.86 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.451 1.764 . . . . 0.0 110.915 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' THR . . . . . 0.428 ' CB ' ' HG2' ' A' ' 22' ' ' LYS . 0.9 OUTLIER -121.04 143.01 49.28 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.535 1.147 . . . . 0.0 110.401 -179.993 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 25.1 tp -122.93 129.98 52.26 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.518 1.136 . . . . 0.0 109.324 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . 0.463 HD12 ' CG1' ' A' ' 114' ' ' ILE . 2.2 mp -107.02 152.91 8.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.42 1.075 . . . . 0.0 109.346 179.934 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.498 ' NZ ' ' CZ2' ' A' ' 111' ' ' TRP . 10.3 tptm -139.0 109.76 6.68 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.605 1.191 . . . . 0.0 109.267 -179.945 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . 0.584 ' HB3' ' CE1' ' A' ' 108' ' ' TYR . 66.3 m-85 -80.87 131.72 35.4 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.504 1.127 . . . . 0.0 110.985 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' TRP . . . . . 0.577 ' CE3' HD23 ' A' ' 43' ' ' LEU . 5.8 p-90 -141.26 167.21 22.73 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 107.984 -1.117 . . . . 0.0 107.984 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -134.02 147.85 51.01 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.549 1.155 . . . . 0.0 109.244 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' SER . . . . . 0.594 ' OG ' ' CZ3' ' A' ' 80' ' ' TRP . 47.7 t -73.74 -18.59 60.97 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.452 1.095 . . . . 0.0 109.978 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 20.7 p-90 -91.18 -12.46 35.31 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.568 1.167 . . . . 0.0 107.935 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . 0.402 ' SG ' ' SG ' ' A' ' 39' ' ' CYS . 34.5 t -86.35 114.81 59.46 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.526 1.141 . . . . 0.0 108.317 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.92 -48.42 0.18 Allowed 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.455 1.766 . . . . 0.0 111.002 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.405 ' HG ' ' N ' ' A' ' 39' ' ' CYS . 0.3 OUTLIER -52.19 -34.61 46.06 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.488 1.117 . . . . 0.0 109.292 -179.888 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . 0.405 ' N ' ' HG ' ' A' ' 38' ' ' LEU . 57.0 m -73.48 -43.47 60.1 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.523 1.139 . . . . 0.0 108.288 179.951 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 13.8 mt -51.3 -47.65 62.54 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.563 1.165 . . . . 0.0 109.264 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 2.6 p -70.44 -25.3 63.13 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.545 1.153 . . . . 0.0 110.011 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -77.7 -24.98 49.11 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.56 1.163 . . . . 0.0 110.279 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.577 HD23 ' CE3' ' A' ' 32' ' ' TRP . 19.2 mt -50.55 -54.79 19.79 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.578 1.174 . . . . 0.0 109.343 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -53.1 -54.17 30.48 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.523 1.139 . . . . 0.0 110.961 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -61.1 -30.52 70.41 Favored 'General case' 0 C--N 1.327 -0.407 0 O-C-N 124.506 0.768 . . . . 0.0 110.327 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 51.9 m -69.12 -37.25 78.24 Favored 'General case' 0 C--N 1.327 -0.396 0 O-C-N 124.593 1.183 . . . . 0.0 110.438 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 13.8 tt0 -69.85 -37.42 76.13 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.462 1.101 . . . . 0.0 110.303 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -69.31 -33.11 72.65 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.436 1.085 . . . . 0.0 109.296 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' TRP . . . . . 0.408 ' HB3' ' CE2' ' A' ' 55' ' ' PHE . 46.9 m0 -76.26 -28.11 56.95 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 108.028 -1.101 . . . . 0.0 108.028 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -74.35 -8.94 57.95 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.524 1.14 . . . . 0.0 109.279 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -103.82 -17.08 15.2 Favored 'General case' 0 C--N 1.323 -0.554 0 O-C-N 124.569 1.168 . . . . 0.0 110.342 179.945 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.9 t0 -57.32 129.43 41.78 Favored 'General case' 0 C--N 1.327 -0.404 0 O-C-N 124.436 1.085 . . . . 0.0 109.296 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -58.37 -48.91 79.1 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.488 1.118 . . . . 0.0 109.263 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -49.2 -38.78 27.3 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.509 1.131 . . . . 0.0 109.302 -179.921 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . 0.574 ' CZ ' ' HB2' ' A' ' 133' ' ' ALA . 0.1 OUTLIER -75.21 -28.55 60.01 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.467 1.105 . . . . 0.0 110.932 179.993 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -46.51 -40.16 12.07 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.476 1.11 . . . . 0.0 110.021 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 33.1 t -39.8 -55.22 2.0 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.47 1.106 . . . . 0.0 109.967 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . 0.404 ' O ' ' O ' ' A' ' 55' ' ' PHE . . . -106.97 165.78 11.09 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.534 1.147 . . . . 0.0 109.291 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 2.0 m-20 -89.04 130.08 35.56 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.407 1.067 . . . . 0.0 109.292 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.443 ' O ' ' CG2' ' A' ' 61' ' ' ILE . 4.7 tt -116.72 125.93 52.4 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.57 1.169 . . . . 0.0 109.305 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . 0.443 ' CG2' ' O ' ' A' ' 60' ' ' LEU . 1.8 pp -153.93 162.32 2.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 O-C-N 124.511 1.132 . . . . 0.0 109.343 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' THR . . . . . 0.571 ' HB ' ' CD1' ' A' ' 32' ' ' TRP . 55.1 p -111.82 147.6 35.38 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.5 1.125 . . . . 0.0 110.391 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 2.1 t -116.65 144.11 25.17 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.441 1.088 . . . . 0.0 109.272 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -134.66 146.47 49.54 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.564 1.165 . . . . 0.0 109.355 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' SER . . . . . 0.4 ' CB ' ' HB3' ' A' ' 68' ' ' PHE . 68.6 p -120.36 108.14 38.25 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.463 1.102 . . . . 0.0 109.937 -179.887 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.94 136.67 20.84 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.482 1.78 . . . . 0.0 111.028 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 72.11 6.18 63.91 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.483 1.114 . . . . 0.0 110.964 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . 0.4 ' HB3' ' CB ' ' A' ' 65' ' ' SER . 51.7 t80 -118.64 126.88 52.91 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.475 0.75 . . . . 0.0 110.998 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 1.2 tp 69.12 48.31 0.69 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.485 1.115 . . . . 0.0 109.314 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER 51.52 23.61 1.92 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.535 1.147 . . . . 0.0 109.633 179.947 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . 0.423 ' HG3' ' N ' ' A' ' 72' ' ' LYS . 6.5 tp10 -77.41 151.08 34.96 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.49 1.118 . . . . 0.0 110.348 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . 0.423 ' N ' ' HG3' ' A' ' 71' ' ' GLU . 0.0 OUTLIER -53.84 131.84 40.55 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.528 1.142 . . . . 0.0 109.329 179.966 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 1.6 tttt -62.58 148.1 47.13 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.447 1.092 . . . . 0.0 109.288 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -50.34 150.78 2.4 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.463 1.102 . . . . 0.0 109.314 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . 0.409 ' CA ' ' HG2' ' A' ' 78' ' ' GLN . . . 86.27 -48.91 4.0 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.401 1.063 . . . . 0.0 111.016 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -70.93 -36.09 72.51 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.577 0.81 . . . . 0.0 109.277 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' PHE . . . . . 0.474 ' C ' ' CD1' ' A' ' 77' ' ' PHE . 0.7 OUTLIER -77.5 -57.17 3.97 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.451 1.094 . . . . 0.0 111.005 179.963 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' GLN . . . . . 0.409 ' HG2' ' CA ' ' A' ' 75' ' ' GLY . 19.2 pt20 -50.94 -25.34 4.51 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.534 1.146 . . . . 0.0 110.33 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 9.0 mtpt -77.82 -49.02 15.14 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.531 1.145 . . . . 0.0 109.299 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' TRP . . . . . 0.594 ' CZ3' ' OG ' ' A' ' 34' ' ' SER . 14.2 t90 -54.11 -50.6 66.49 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.462 1.101 . . . . 0.0 108.035 179.876 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' TYR . . . . . 0.555 ' CD2' ' HB2' ' A' ' 12' ' ' ALA . 34.3 t80 -55.67 -39.7 71.28 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.58 1.175 . . . . 0.0 110.968 -179.941 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -60.66 -23.36 64.74 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.514 1.134 . . . . 0.0 109.274 -179.899 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -92.71 -19.53 37.17 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.487 1.117 . . . . 0.0 111.01 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 95.4 mt -71.32 163.21 28.11 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.429 0.723 . . . . 0.0 109.328 179.928 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' ASN . . . . . 0.439 ' OD1' ' N ' ' A' ' 85' ' ' ASN . 0.7 OUTLIER -96.54 -165.09 1.22 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.518 1.136 . . . . 0.0 109.302 179.957 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' TYR . . . . . 0.434 ' N ' ' HD3' ' A' ' 87' ' ' PRO . 62.7 m-85 53.93 62.57 8.81 Favored Pre-proline 0 C--N 1.324 -0.532 0 O-C-N 124.589 1.181 . . . . 0.0 110.993 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' PRO . . . . . 0.434 ' HD3' ' N ' ' A' ' 86' ' ' TYR . 18.3 Cg_endo -75.03 45.66 1.39 Allowed 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.445 1.761 . . . . 0.0 111.023 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . 0.4 ' H ' ' C ' ' A' ' 86' ' ' TYR . 12.9 mttp -136.16 8.39 3.19 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.482 1.114 . . . . 0.0 109.274 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . 0.421 ' CD1' ' HD2' ' A' ' 90' ' ' PRO . 6.9 tp -98.71 128.3 33.05 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.576 1.172 . . . . 0.0 109.276 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 90' ' ' PRO . . . . . 0.421 ' HD2' ' CD1' ' A' ' 89' ' ' LEU . 18.6 Cg_endo -74.89 128.15 11.33 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.542 1.812 . . . . 0.0 111.07 179.924 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . 0.54 HG21 ' CE1' ' A' ' 81' ' ' TYR . 12.2 t -143.56 121.66 6.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 O-C-N 124.562 1.164 . . . . 0.0 109.348 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 99.5 t -115.94 128.56 73.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.548 1.155 . . . . 0.0 109.266 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 3.2 p -105.72 116.21 31.55 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.532 1.145 . . . . 0.0 110.402 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 53.5 t0 -113.94 111.74 22.19 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.52 1.137 . . . . 0.0 109.322 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 24.5 t-20 -56.82 118.07 4.56 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.518 1.136 . . . . 0.0 109.251 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 88.65 -21.71 24.76 Favored Glycine 0 CA--C 1.531 1.092 0 O-C-N 124.498 1.124 . . . . 0.0 110.896 179.914 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 71.8 55.84 7.03 Favored Glycine 0 CA--C 1.529 0.966 0 N-CA-C 110.948 -0.861 . . . . 0.0 110.948 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 3.4 m -52.54 -32.22 39.65 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.424 0.72 . . . . 0.0 110.287 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 99' ' ' ILE . . . . . 0.523 ' CD1' ' N ' ' A' ' 99' ' ' ILE . 1.2 mm -70.14 -37.49 72.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.52 1.137 . . . . 0.0 109.368 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . 0.407 ' O ' ' N ' ' A' ' 105' ' ' ILE . . . -76.95 -40.05 48.4 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.474 1.108 . . . . 0.0 109.275 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 1.6 mt-30 -72.4 -33.87 67.47 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.128 . . . . 0.0 110.219 -179.951 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 3.3 m -65.34 -35.44 80.98 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.528 1.143 . . . . 0.0 109.965 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . 0.471 ' HB3' ' CD1' ' A' ' 123' ' ' ILE . 39.9 mt -104.74 12.41 32.81 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.444 1.09 . . . . 0.0 109.321 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 14.4 t30 43.87 70.46 0.32 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.506 1.129 . . . . 0.0 109.324 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 105' ' ' ILE . . . . . 0.407 ' N ' ' O ' ' A' ' 100' ' ' ALA . 68.5 mt -109.2 151.66 11.46 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 O-C-N 124.465 1.103 . . . . 0.0 109.285 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 8.9 p -162.88 29.83 0.1 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.474 1.109 . . . . 0.0 110.025 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 2.0 p -147.26 132.3 11.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.456 1.097 . . . . 0.0 109.275 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 108' ' ' TYR . . . . . 0.584 ' CE1' ' HB3' ' A' ' 31' ' ' PHE . 22.7 m-85 -130.77 152.91 81.34 Favored Pre-proline 0 C--N 1.324 -0.532 0 O-C-N 124.488 1.117 . . . . 0.0 111.006 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 109' ' ' PRO . . . . . 0.512 ' C ' ' HA ' ' A' ' 108' ' ' TYR . 18.4 Cg_endo -74.86 171.99 65.11 Favored 'Cis proline' 0 C--N 1.36 1.174 0 C-N-CA 121.014 -2.494 . . . . 0.0 111.028 -0.121 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -146.27 164.16 33.2 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.526 1.141 . . . . 0.0 110.081 179.864 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 111' ' ' TRP . . . . . 0.498 ' CZ2' ' NZ ' ' A' ' 30' ' ' LYS . 58.6 m95 -134.66 138.13 44.19 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.515 1.135 . . . . 0.0 108.017 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -129.16 138.27 51.67 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.437 1.086 . . . . 0.0 109.261 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 15.2 tp -108.41 136.28 48.29 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.42 1.075 . . . . 0.0 109.352 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 114' ' ' ILE . . . . . 0.463 ' CG1' HD12 ' A' ' 29' ' ' ILE . 4.7 mm -122.15 118.99 57.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.446 1.091 . . . . 0.0 109.343 179.936 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 115' ' ' GLY . . . . . 0.409 ' N ' ' HB2' ' A' ' 121' ' ' GLN . . . -51.69 164.58 1.19 Allowed Glycine 0 CA--C 1.531 1.067 0 O-C-N 124.43 1.081 . . . . 0.0 111.012 -179.957 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.83 -9.88 48.23 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.598 0.822 . . . . 0.0 109.33 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -87.19 -23.35 24.82 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.551 1.157 . . . . 0.0 109.297 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . 103.85 25.9 6.99 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.539 1.149 . . . . 0.0 110.948 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 20.1 p-10 -122.6 158.71 29.36 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.487 0.757 . . . . 0.0 109.321 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 63.7 t -57.79 117.14 1.41 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.595 1.184 . . . . 0.0 109.321 -179.929 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 121' ' ' GLN . . . . . 0.409 ' HB2' ' N ' ' A' ' 115' ' ' GLY . 8.1 tt0 -94.44 -49.19 5.79 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.489 1.118 . . . . 0.0 110.252 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -155.7 155.1 32.56 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.501 1.126 . . . . 0.0 110.298 -179.952 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 123' ' ' ILE . . . . . 0.471 ' CD1' ' HB3' ' A' ' 103' ' ' LEU . 7.8 tt -123.55 137.77 55.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.468 1.105 . . . . 0.0 109.293 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 96.2 t -128.86 137.64 56.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.503 1.127 . . . . 0.0 109.339 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -115.79 125.41 52.69 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.539 1.15 . . . . 0.0 109.296 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . 116.61 -149.4 18.78 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.554 1.159 . . . . 0.0 111.082 -179.928 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -122.02 161.16 23.48 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.512 0.771 . . . . 0.0 110.017 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 128' ' ' ILE . . . . . . . . . . . . . 10.0 pt -135.36 166.59 27.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.501 1.126 . . . . 0.0 109.227 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 129' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -107.12 166.47 10.6 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.551 1.157 . . . . 0.0 109.253 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 18.3 tt0 -51.93 -36.31 48.73 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.485 1.116 . . . . 0.0 110.272 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -61.28 -51.03 70.6 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.46 1.1 . . . . 0.0 109.274 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 4.0 mt-30 -50.94 -44.61 60.41 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.414 1.071 . . . . 0.0 110.275 -179.925 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 133' ' ' ALA . . . . . 0.574 ' HB2' ' CZ ' ' A' ' 55' ' ' PHE . . . -53.03 -46.41 68.44 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.41 1.069 . . . . 0.0 109.3 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 9.0 mt -61.34 -53.6 54.64 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.456 1.097 . . . . 0.0 109.251 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -57.31 -31.06 65.29 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.545 1.153 . . . . 0.0 109.35 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 9.1 tp -67.03 -45.99 75.82 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.477 1.111 . . . . 0.0 109.321 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 137' ' ' ILE . . . . . . . . . . . . . 9.4 mt -75.49 -27.48 19.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.436 1.085 . . . . 0.0 109.351 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.26 -47.61 19.66 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.463 1.102 . . . . 0.0 110.253 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 61.8 t0 -156.41 119.92 2.31 Favored Pre-proline 0 C--N 1.326 -0.423 0 O-C-N 124.434 1.084 . . . . 0.0 109.282 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 -13.82 21.22 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.516 1.798 . . . . 0.0 111.006 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 141' ' ' ASN . . . . . . . . . . . . . 75.2 m-20 -81.62 -23.6 36.9 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.593 1.183 . . . . 0.0 109.301 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -52.54 104.81 0.1 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.545 1.153 . . . . 0.0 109.3 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 143' ' ' ASP . . . . . . . . . . . . . 7.3 t0 -152.1 155.15 37.33 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.497 1.123 . . . . 0.0 109.271 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 144' ' ' LEU . . . . . 0.406 HD13 ' N ' ' A' ' 144' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.46 0 O-C-N 124.483 1.114 . . . . 0.0 109.312 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.401 ' HG2' ' NZ ' ' A' ' 23' ' ' LYS . 16.9 mtt . . . . . 0 N--CA 1.452 -0.356 0 CA-C-O 120.46 0.172 . . . . 0.0 111.053 . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . 0.423 ' N ' ' HD3' ' A' ' 3' ' ' PRO . 14.9 m -146.94 64.24 8.88 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.522 1.139 . . . . 0.0 109.338 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . 0.423 ' HD3' ' N ' ' A' ' 2' ' ' VAL . 18.0 Cg_endo -75.02 -39.81 1.08 Allowed 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.391 1.732 . . . . 0.0 110.931 -179.958 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 7.6 p-80 -61.95 -29.77 70.47 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.525 1.14 . . . . 0.0 109.621 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 20.1 m -69.93 -53.36 18.23 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.48 1.113 . . . . 0.0 110.425 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 5.4 mt -70.54 -35.52 73.17 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.481 1.113 . . . . 0.0 109.296 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 41.3 t -63.53 -23.33 67.34 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.48 1.113 . . . . 0.0 109.989 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 3.2 m -77.07 -5.86 50.53 Favored 'General case' 0 C--N 1.323 -0.556 0 O-C-N 124.545 1.153 . . . . 0.0 110.386 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.429 ' CD1' ' HA ' ' A' ' 94' ' ' ASP . 2.2 mm? -100.02 130.47 46.18 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.477 1.111 . . . . 0.0 109.278 -179.93 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 28.9 mttm -113.7 155.76 25.0 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.546 1.154 . . . . 0.0 109.328 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 14.7 p -82.59 -178.6 7.14 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.488 1.118 . . . . 0.0 110.355 -179.947 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . 0.532 ' CB ' ' CG ' ' A' ' 81' ' ' TYR . . . -70.32 -9.18 55.38 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.536 1.148 . . . . 0.0 109.392 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -101.01 23.58 10.54 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.561 1.163 . . . . 0.0 109.354 179.947 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 50.3 33.68 7.79 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.523 1.139 . . . . 0.0 109.244 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 11.0 mmt85 -110.39 160.32 28.88 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.577 1.173 . . . . 0.0 110.312 179.93 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 139.44 24.17 Favored 'Trans proline' 0 C--N 1.358 1.074 0 O-C-N 124.547 1.814 . . . . 0.0 110.938 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -74.07 -21.63 59.85 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.48 1.112 . . . . 0.0 109.326 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 97.2 p -59.58 -26.33 65.33 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.513 1.133 . . . . 0.0 110.026 179.905 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 39.9 t -67.51 -20.41 26.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 O-C-N 124.468 1.105 . . . . 0.0 109.322 -179.906 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 35.0 m-85 -120.22 21.71 11.65 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.504 1.128 . . . . 0.0 110.961 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -129.43 107.04 9.19 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.426 1.079 . . . . 0.0 109.271 179.941 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 15.7 tptt -100.36 125.95 46.66 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.445 1.091 . . . . 0.0 109.303 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.401 ' NZ ' ' HG2' ' A' ' 1' ' ' MET . 2.1 tttt -85.38 16.74 3.51 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.432 1.083 . . . . 0.0 109.313 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 14.3 t70 -133.51 9.2 3.97 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.532 1.145 . . . . 0.0 109.249 -179.933 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 1.3 mmmt -148.37 159.74 38.38 Favored Pre-proline 0 C--N 1.324 -0.531 0 O-C-N 124.492 1.12 . . . . 0.0 109.343 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 141.98 27.39 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.474 1.776 . . . . 0.0 110.989 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 41.9 m -122.32 123.19 40.83 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.416 1.072 . . . . 0.0 110.322 -179.94 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 12.0 tp -102.02 127.68 48.79 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.573 1.171 . . . . 0.0 109.322 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 2.8 mt -108.69 148.7 12.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.474 1.109 . . . . 0.0 109.269 -179.93 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.479 ' HG3' ' CE2' ' A' ' 111' ' ' TRP . 0.6 OUTLIER -138.63 120.96 15.94 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.533 1.145 . . . . 0.0 109.275 -179.971 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . 0.563 ' HB3' ' CE1' ' A' ' 108' ' ' TYR . 55.9 m-85 -92.32 129.77 38.18 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.552 1.157 . . . . 0.0 110.989 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' TRP . . . . . 0.568 ' CH2' HD11 ' A' ' 43' ' ' LEU . 13.1 p-90 -137.26 171.94 13.74 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.529 1.143 . . . . 0.0 108.004 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -135.78 153.94 51.37 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.526 1.142 . . . . 0.0 109.34 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' SER . . . . . 0.502 ' OG ' ' CE3' ' A' ' 80' ' ' TRP . 31.0 t -80.73 -23.54 39.39 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.544 1.153 . . . . 0.0 109.938 -179.903 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 51.2 p-90 -83.76 -2.9 57.26 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.583 1.177 . . . . 0.0 108.022 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 46.2 t -100.75 108.73 55.16 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.556 1.16 . . . . 0.0 108.305 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.9 -37.47 2.09 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.42 1.748 . . . . 0.0 111.104 179.923 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 1.7 tm? -62.15 -29.69 70.52 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.543 1.152 . . . . 0.0 109.324 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . 0.413 ' O ' ' N ' ' A' ' 43' ' ' LEU . 4.3 m -78.61 -46.31 19.61 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.43 1.081 . . . . 0.0 108.291 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.499 HD11 ' CZ2' ' A' ' 80' ' ' TRP . 30.4 mt -51.61 -46.12 63.45 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.46 1.1 . . . . 0.0 109.335 179.913 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 24.0 p -63.49 -25.2 68.15 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.49 1.118 . . . . 0.0 110.049 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -88.9 -27.27 21.1 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.46 1.1 . . . . 0.0 110.246 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.568 HD11 ' CH2' ' A' ' 32' ' ' TRP . 0.1 OUTLIER -50.7 -44.95 58.14 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.44 1.088 . . . . 0.0 109.363 179.982 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -60.31 -50.61 65.74 Favored Glycine 0 CA--C 1.532 1.111 0 O-C-N 124.44 1.088 . . . . 0.0 110.991 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 4.9 tp-100 -61.05 -30.53 70.38 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.537 0.786 . . . . 0.0 110.3 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 23.8 m -65.79 -34.15 77.51 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.493 1.121 . . . . 0.0 110.494 179.928 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . 0.425 ' OE2' ' N ' ' A' ' 89' ' ' LEU . 58.8 tt0 -71.14 -31.39 67.67 Favored 'General case' 0 C--N 1.327 -0.413 0 O-C-N 124.466 1.104 . . . . 0.0 110.246 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 1.3 tttm -78.18 -31.97 49.88 Favored 'General case' 0 C--N 1.323 -0.554 0 O-C-N 124.589 1.181 . . . . 0.0 109.218 -179.893 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' TRP . . . . . 0.556 ' HB3' ' CE2' ' A' ' 55' ' ' PHE . 45.1 m0 -72.94 -28.09 62.23 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.577 1.173 . . . . 0.0 107.97 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -72.23 -9.01 57.9 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.471 1.107 . . . . 0.0 109.406 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 9.4 mt-30 -103.25 -14.62 16.27 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.496 1.122 . . . . 0.0 110.292 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . 0.403 ' OD1' ' N ' ' A' ' 55' ' ' PHE . 1.9 t70 -63.1 133.72 54.91 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.524 1.14 . . . . 0.0 109.278 179.931 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -60.59 -47.44 86.2 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.471 1.107 . . . . 0.0 109.275 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -50.82 -39.41 53.11 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.44 1.087 . . . . 0.0 109.307 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . 0.566 ' CE1' HD13 ' A' ' 60' ' ' LEU . 0.6 OUTLIER -76.56 -30.69 57.17 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.542 1.151 . . . . 0.0 110.968 -179.958 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 2.3 p -47.17 -39.33 13.55 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.526 1.141 . . . . 0.0 110.079 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -40.82 -56.36 2.22 Favored 'General case' 0 C--N 1.327 -0.413 0 O-C-N 124.489 1.118 . . . . 0.0 110.036 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -104.91 165.6 10.96 Favored 'General case' 0 C--N 1.323 -0.554 0 O-C-N 124.512 1.133 . . . . 0.0 109.264 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 1.4 m-20 -89.23 122.34 32.41 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.589 1.181 . . . . 0.0 109.23 -179.917 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.566 HD13 ' CE1' ' A' ' 55' ' ' PHE . 2.2 tt -108.07 126.02 52.25 Favored 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.55 1.156 . . . . 0.0 109.217 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -152.5 162.12 2.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 O-C-N 124.541 1.15 . . . . 0.0 109.295 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' THR . . . . . 0.441 ' HB ' ' CD1' ' A' ' 32' ' ' TRP . 34.5 p -116.83 150.27 38.65 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.441 1.088 . . . . 0.0 110.413 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 2.1 t -119.94 141.72 38.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.558 1.161 . . . . 0.0 109.319 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . 0.68 ' CB ' ' CZ ' ' A' ' 77' ' ' PHE . . . -134.63 132.53 39.08 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.474 1.109 . . . . 0.0 109.238 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 22.1 m -108.7 107.92 60.44 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.43 1.081 . . . . 0.0 110.044 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 136.84 20.99 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.505 1.792 . . . . 0.0 111.018 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 75.96 2.9 72.97 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.505 1.128 . . . . 0.0 111.053 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . 0.556 ' CE2' HD22 ' A' ' 69' ' ' LEU . 49.8 t80 -117.98 129.99 55.92 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.458 0.74 . . . . 0.0 111.017 179.942 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.556 HD22 ' CE2' ' A' ' 68' ' ' PHE . 1.0 OUTLIER 71.89 35.07 1.4 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 0.0 109.194 179.926 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 10.0 t60 71.07 6.58 5.9 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.461 1.1 . . . . 0.0 109.615 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . 0.424 ' HG3' ' N ' ' A' ' 72' ' ' LYS . 6.7 tp10 -61.87 151.66 33.98 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.534 1.146 . . . . 0.0 110.26 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . 0.424 ' N ' ' HG3' ' A' ' 71' ' ' GLU . 0.1 OUTLIER -63.0 140.61 58.89 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.503 1.127 . . . . 0.0 109.288 179.991 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.44 161.44 11.76 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.496 1.122 . . . . 0.0 109.317 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -51.65 146.39 7.83 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.513 1.133 . . . . 0.0 109.268 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 86.14 -42.76 3.18 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.542 1.151 . . . . 0.0 111.067 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -75.71 -30.56 59.33 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.501 0.765 . . . . 0.0 109.325 179.9 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' PHE . . . . . 0.68 ' CZ ' ' CB ' ' A' ' 64' ' ' ALA . 73.9 t80 -77.67 -56.68 4.32 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.563 1.164 . . . . 0.0 111.001 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 15.1 pt20 -53.31 -29.86 35.81 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.465 1.103 . . . . 0.0 110.285 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -64.91 -33.56 76.32 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.431 1.082 . . . . 0.0 109.347 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' TRP . . . . . 0.502 ' CE3' ' OG ' ' A' ' 34' ' ' SER . 1.9 t90 -70.3 -45.43 66.31 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 107.959 -1.126 . . . . 0.0 107.959 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' TYR . . . . . 0.532 ' CG ' ' CB ' ' A' ' 12' ' ' ALA . 23.2 t80 -54.48 -30.01 51.87 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.431 1.082 . . . . 0.0 111.017 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -64.84 -12.71 51.3 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.618 1.198 . . . . 0.0 109.268 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -111.36 -7.97 23.84 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.596 1.185 . . . . 0.0 111.02 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . 0.412 ' O ' ' O ' ' A' ' 85' ' ' ASN . 12.5 mt -66.26 172.06 4.23 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.484 0.756 . . . . 0.0 109.281 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' ASN . . . . . 0.426 ' O ' ' C ' ' A' ' 86' ' ' TYR . 4.7 m120 -52.49 -175.16 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.483 1.114 . . . . 0.0 109.269 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' TYR . . . . . 0.426 ' C ' ' O ' ' A' ' 85' ' ' ASN . 0.1 OUTLIER -35.85 154.3 0.07 OUTLIER Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.466 1.104 . . . . 0.0 110.959 179.983 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 1.58 7.55 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.504 1.791 . . . . 0.0 111.055 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 3.0 mttm -76.91 -4.19 42.57 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.44 1.088 . . . . 0.0 109.282 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . 0.425 ' N ' ' OE2' ' A' ' 47' ' ' GLU . 6.5 tp -85.16 119.3 72.3 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.416 1.073 . . . . 0.0 109.249 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 127.83 11.01 Favored 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.528 1.804 . . . . 0.0 111.035 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 3.0 t -147.29 118.31 1.52 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.534 1.146 . . . . 0.0 109.327 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . 0.429 ' O ' ' N ' ' A' ' 64' ' ' ALA . 75.4 t -105.4 135.84 41.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.528 1.142 . . . . 0.0 109.291 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 1.6 p -114.01 112.46 23.3 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.422 1.076 . . . . 0.0 110.33 -179.921 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . 0.429 ' HA ' ' CD1' ' A' ' 9' ' ' LEU . 22.3 t0 -114.76 110.93 20.46 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.514 1.134 . . . . 0.0 109.356 179.923 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 28.2 t-20 -60.13 120.74 10.31 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.5 1.125 . . . . 0.0 109.315 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 83.48 -11.8 54.28 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.543 1.152 . . . . 0.0 110.956 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 56.07 63.16 5.55 Favored Glycine 0 CA--C 1.53 1.01 0 N-CA-C 110.969 -0.853 . . . . 0.0 110.969 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 1.8 m -51.66 -49.35 62.5 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.439 0.729 . . . . 0.0 110.347 -179.942 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 4.3 mt -63.57 -41.87 94.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 O-C-N 124.551 1.157 . . . . 0.0 109.251 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . 0.433 ' O ' ' N ' ' A' ' 104' ' ' ASN . . . -63.35 -44.43 94.87 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.551 1.157 . . . . 0.0 109.282 -179.944 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 5.4 mt-30 -72.25 -38.07 68.97 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.546 1.154 . . . . 0.0 110.284 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 34.7 p -61.49 -30.55 70.68 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.508 1.13 . . . . 0.0 110.009 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 7.7 mt -103.36 -11.33 17.97 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.503 1.127 . . . . 0.0 109.337 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 104' ' ' ASN . . . . . 0.433 ' N ' ' O ' ' A' ' 100' ' ' ALA . 15.9 t-20 67.05 58.72 0.56 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.473 1.108 . . . . 0.0 109.293 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 105' ' ' ILE . . . . . 0.544 HD11 ' CZ ' ' A' ' 31' ' ' PHE . 35.4 mt -103.62 85.99 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.46 1.1 . . . . 0.0 109.293 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 85.0 p -105.31 26.14 9.77 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.563 1.164 . . . . 0.0 109.945 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 107' ' ' VAL . . . . . 0.428 ' O ' ' OG ' ' A' ' 110' ' ' SER . 1.4 p -140.35 132.83 32.79 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.561 0 O-C-N 124.58 1.175 . . . . 0.0 109.343 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 108' ' ' TYR . . . . . 0.563 ' CE1' ' HB3' ' A' ' 31' ' ' PHE . 21.9 m-85 -130.73 154.4 81.8 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.556 1.16 . . . . 0.0 111.027 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 109' ' ' PRO . . . . . 0.513 ' C ' ' HA ' ' A' ' 108' ' ' TYR . 18.5 Cg_endo -75.01 -178.6 23.96 Favored 'Cis proline' 0 C--N 1.36 1.181 0 C-N-CA 121.034 -2.486 . . . . 0.0 111.06 -0.037 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 110' ' ' SER . . . . . 0.428 ' OG ' ' O ' ' A' ' 107' ' ' VAL . 0.7 OUTLIER -157.77 164.25 37.26 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.349 1.03 . . . . 0.0 109.937 179.998 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 111' ' ' TRP . . . . . 0.479 ' CE2' ' HG3' ' A' ' 30' ' ' LYS . 71.7 m95 -137.82 137.51 38.24 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.544 1.153 . . . . 0.0 107.998 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -128.65 138.72 52.32 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.439 1.087 . . . . 0.0 109.258 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 20.7 tp -108.79 135.76 49.48 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.543 1.152 . . . . 0.0 109.328 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 114' ' ' ILE . . . . . 0.425 ' CD1' ' HA ' ' A' ' 120' ' ' VAL . 36.4 mm -121.72 122.11 66.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.603 1.189 . . . . 0.0 109.275 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 115' ' ' GLY . . . . . 0.438 ' N ' ' O ' ' A' ' 119' ' ' ASP . . . -49.6 168.96 0.2 Allowed Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.503 1.127 . . . . 0.0 110.968 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.3 -15.25 63.49 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.533 0.784 . . . . 0.0 109.325 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -81.43 -21.2 39.04 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.583 1.177 . . . . 0.0 109.315 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . 99.54 31.07 6.24 Favored Glycine 0 CA--C 1.529 0.941 0 O-C-N 124.568 1.168 . . . . 0.0 111.019 179.931 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 119' ' ' ASP . . . . . 0.438 ' O ' ' N ' ' A' ' 115' ' ' GLY . 3.1 p-10 -124.18 160.68 27.33 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.47 0.747 . . . . 0.0 109.251 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 120' ' ' VAL . . . . . 0.425 ' HA ' ' CD1' ' A' ' 114' ' ' ILE . 56.1 t -60.25 117.55 2.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.544 1.152 . . . . 0.0 109.332 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -97.34 -52.81 3.67 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.528 1.142 . . . . 0.0 110.354 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -149.05 157.46 43.42 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.587 1.179 . . . . 0.0 110.303 179.946 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 123' ' ' ILE . . . . . . . . . . . . . 1.1 tt -119.98 137.95 52.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.476 1.11 . . . . 0.0 109.291 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 72.3 t -135.4 131.1 51.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.549 1.156 . . . . 0.0 109.279 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -120.78 132.1 54.85 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.498 1.124 . . . . 0.0 109.26 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . 123.36 -147.18 16.63 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.484 1.115 . . . . 0.0 111.015 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -127.75 150.16 49.92 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.548 0.793 . . . . 0.0 110.118 179.953 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 128' ' ' ILE . . . . . 0.425 HG22 ' NE2' ' A' ' 132' ' ' GLN . 7.2 pt -131.74 162.55 39.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.448 1.093 . . . . 0.0 109.31 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 129' ' ' ASN . . . . . . . . . . . . . 2.0 p30 -107.01 166.81 10.34 Favored 'General case' 0 C--N 1.323 -0.552 0 O-C-N 124.506 1.129 . . . . 0.0 109.34 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 13.2 tt0 -52.5 -39.29 61.09 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.528 1.142 . . . . 0.0 110.216 -179.886 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -60.5 -50.05 75.09 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.443 1.089 . . . . 0.0 109.272 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 132' ' ' GLN . . . . . 0.425 ' NE2' HG22 ' A' ' 128' ' ' ILE . 26.9 mt-30 -51.01 -44.99 61.07 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.437 1.085 . . . . 0.0 110.317 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 133' ' ' ALA . . . . . 0.563 ' HB1' ' CZ ' ' A' ' 55' ' ' PHE . . . -53.47 -49.89 66.48 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.441 1.088 . . . . 0.0 109.286 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 11.0 mt -54.01 -52.29 61.28 Favored 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.525 1.14 . . . . 0.0 109.375 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -59.94 -34.16 72.88 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.552 1.158 . . . . 0.0 109.305 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -65.36 -48.14 74.01 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.467 1.105 . . . . 0.0 109.337 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 137' ' ' ILE . . . . . . . . . . . . . 3.6 mt -70.64 -22.28 23.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.524 1.14 . . . . 0.0 109.33 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -80.61 -47.49 14.05 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.398 1.061 . . . . 0.0 110.257 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 39.0 t0 -163.67 125.47 1.55 Allowed Pre-proline 0 C--N 1.324 -0.521 0 O-C-N 124.502 1.126 . . . . 0.0 109.387 179.941 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.93 -4.99 16.24 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.42 1.747 . . . . 0.0 110.97 -179.935 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 141' ' ' ASN . . . . . . . . . . . . . 84.0 m-20 -86.03 -24.38 26.41 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.587 1.179 . . . . 0.0 109.275 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -53.77 110.72 0.62 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.59 1.181 . . . . 0.0 109.396 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 143' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -45.28 146.0 1.02 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.491 1.12 . . . . 0.0 109.295 -179.922 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 4.5 mt . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.516 1.135 . . . . 0.0 109.293 -179.989 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.8 ttm . . . . . 0 N--CA 1.452 -0.362 0 CA-C-O 120.501 0.191 . . . . 0.0 111.025 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 3.1 m -141.37 65.68 22.1 Favored Pre-proline 0 C--N 1.326 -0.441 0 O-C-N 124.499 1.124 . . . . 0.0 109.26 -179.885 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.94 -51.66 0.12 Allowed 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.455 1.766 . . . . 0.0 110.895 -179.939 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . 0.435 ' O ' ' N ' ' A' ' 8' ' ' THR . 30.5 m-70 -49.55 -46.85 49.25 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.565 1.166 . . . . 0.0 109.539 -179.86 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 22.1 m -59.03 -50.85 72.51 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.465 1.103 . . . . 0.0 110.476 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.42 ' CD2' HD22 ' A' ' 21' ' ' LEU . 1.0 OUTLIER -57.4 -48.1 79.98 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.523 1.139 . . . . 0.0 109.324 179.967 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -68.84 -24.07 64.32 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.489 1.118 . . . . 0.0 110.031 179.911 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' THR . . . . . 0.435 ' N ' ' O ' ' A' ' 4' ' ' HIS . 5.6 m -80.58 -18.87 46.96 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.529 1.143 . . . . 0.0 110.467 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 14.9 mt -70.06 148.05 49.27 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.581 1.175 . . . . 0.0 109.319 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 10.3 mttm -125.71 150.42 47.69 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.495 1.122 . . . . 0.0 109.307 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 16.9 p -77.44 179.97 6.14 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.55 1.156 . . . . 0.0 110.461 179.915 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -73.3 -5.15 37.68 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.519 1.137 . . . . 0.0 109.379 179.946 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -104.52 24.34 11.84 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.421 1.075 . . . . 0.0 109.24 -179.921 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER 48.96 41.6 19.16 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.482 1.114 . . . . 0.0 109.361 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -117.99 155.63 50.98 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.58 1.175 . . . . 0.0 110.277 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.07 135.69 19.28 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.461 1.769 . . . . 0.0 111.047 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . 0.495 ' O ' ' CD1' ' A' ' 20' ' ' TYR . . . -59.48 -26.95 65.68 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.549 1.155 . . . . 0.0 109.354 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' SER . . . . . 0.457 ' HA ' ' CB ' ' A' ' 21' ' ' LEU . 78.0 p -54.94 -24.98 26.41 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.511 1.132 . . . . 0.0 109.987 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 2.8 t -44.94 -42.09 2.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.47 1.106 . . . . 0.0 109.187 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . 0.495 ' CD1' ' O ' ' A' ' 17' ' ' ALA . 2.8 p90 -112.85 -12.06 13.36 Favored 'General case' 0 C--N 1.323 -0.547 0 O-C-N 124.523 1.139 . . . . 0.0 111.029 -179.946 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.457 ' CB ' ' HA ' ' A' ' 18' ' ' SER . 0.2 OUTLIER -76.24 118.43 18.95 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.535 1.147 . . . . 0.0 109.283 -179.929 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . 0.429 ' O ' ' N ' ' A' ' 24' ' ' ASP . 18.3 mttm -113.83 110.9 20.87 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.437 1.086 . . . . 0.0 109.294 -179.954 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.67 57.78 0.13 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.484 1.115 . . . . 0.0 109.261 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . 0.429 ' N ' ' O ' ' A' ' 22' ' ' LYS . 1.0 OUTLIER 167.59 38.39 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.541 1.151 . . . . 0.0 109.29 179.981 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 1.3 mtpt -166.22 161.26 12.54 Favored Pre-proline 0 C--N 1.324 -0.53 0 O-C-N 124.432 1.083 . . . . 0.0 109.291 -179.935 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 144.23 29.94 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.463 1.77 . . . . 0.0 111.026 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' THR . . . . . 0.447 ' OG1' ' ND2' ' A' ' 59' ' ' ASN . 89.3 m -126.11 133.95 51.49 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.483 1.114 . . . . 0.0 110.39 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 2.2 tp -115.52 134.66 54.86 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.471 1.107 . . . . 0.0 109.295 -179.944 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 5.3 mt -115.79 145.57 21.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.567 1.167 . . . . 0.0 109.307 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.531 ' HD3' ' CZ2' ' A' ' 111' ' ' TRP . 0.4 OUTLIER -136.57 111.03 8.53 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.485 1.116 . . . . 0.0 109.314 -179.93 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . 0.633 ' CE1' ' CD1' ' A' ' 105' ' ' ILE . 50.7 m-85 -86.51 132.24 33.97 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.54 1.15 . . . . 0.0 110.959 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' TRP . . . . . 0.577 ' CZ3' HD11 ' A' ' 43' ' ' LEU . 9.7 p-90 -136.75 170.2 16.48 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.496 1.123 . . . . 0.0 107.997 179.948 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -125.79 149.01 48.94 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.452 1.095 . . . . 0.0 109.282 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -78.38 -33.26 49.0 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.463 1.102 . . . . 0.0 109.974 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 19.8 p-90 -73.58 -6.55 47.29 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.501 1.126 . . . . 0.0 108.049 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 48.7 t -97.37 110.75 55.97 Favored Pre-proline 0 C--N 1.326 -0.437 0 O-C-N 124.52 1.138 . . . . 0.0 108.285 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -41.66 0.62 Allowed 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.497 1.788 . . . . 0.0 111.03 179.926 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 2.0 tm? -57.73 -33.17 68.16 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.457 1.098 . . . . 0.0 109.27 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 1.3 m -72.89 -51.42 18.72 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.471 1.107 . . . . 0.0 108.313 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.446 HD22 ' CZ2' ' A' ' 80' ' ' TRP . 0.6 OUTLIER -52.25 -35.06 48.86 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.525 1.141 . . . . 0.0 109.24 -179.995 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.7 m -73.41 -25.66 60.63 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.523 1.139 . . . . 0.0 109.959 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -84.04 -15.32 47.96 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.547 1.154 . . . . 0.0 110.296 -179.94 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.577 HD11 ' CZ3' ' A' ' 32' ' ' TRP . 60.3 mt -56.96 -55.02 40.0 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.552 1.157 . . . . 0.0 109.315 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -49.93 -50.27 33.2 Favored Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.485 1.116 . . . . 0.0 110.968 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 1.3 tt0 -63.35 -29.32 70.64 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.521 0.777 . . . . 0.0 110.341 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 51.8 m -72.85 -37.25 67.45 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.47 1.107 . . . . 0.0 110.384 179.948 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 27.6 tt0 -67.09 -28.66 68.36 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.496 1.123 . . . . 0.0 110.278 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 11.2 tttt -78.28 -29.22 47.84 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.482 1.113 . . . . 0.0 109.249 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' TRP . . . . . 0.483 ' HB3' ' CE2' ' A' ' 55' ' ' PHE . 45.0 m0 -75.56 -28.08 58.87 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.478 1.111 . . . . 0.0 108.031 -179.932 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -74.31 -9.24 58.4 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.125 . . . . 0.0 109.268 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 10.5 mm-40 -105.09 -12.78 15.98 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.461 1.101 . . . . 0.0 110.225 -179.942 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 2.7 t70 -69.25 128.47 36.7 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.487 1.117 . . . . 0.0 109.277 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -53.94 -48.36 70.32 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.47 1.106 . . . . 0.0 109.353 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -49.19 -40.62 34.04 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.458 1.099 . . . . 0.0 109.291 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . 0.7 ' CZ ' ' CB ' ' A' ' 133' ' ' ALA . 2.2 m-85 -76.59 -28.34 56.14 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.515 1.134 . . . . 0.0 111.065 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' SER . . . . . 0.4 ' O ' ' C ' ' A' ' 57' ' ' SER . 5.0 t -53.67 -40.19 65.71 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.475 1.11 . . . . 0.0 110.026 179.931 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' SER . . . . . 0.4 ' C ' ' O ' ' A' ' 56' ' ' SER . 0.3 OUTLIER -39.04 -37.1 0.34 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.502 1.126 . . . . 0.0 110.04 179.936 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -125.17 165.64 17.89 Favored 'General case' 0 C--N 1.327 -0.411 0 O-C-N 124.492 1.12 . . . . 0.0 109.219 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . 0.447 ' ND2' ' OG1' ' A' ' 27' ' ' THR . 0.3 OUTLIER -89.08 124.11 34.0 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.574 1.171 . . . . 0.0 109.235 -179.988 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.5 ' C ' ' CD2' ' A' ' 60' ' ' LEU . 2.9 tt -111.72 127.42 55.77 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.555 1.159 . . . . 0.0 109.251 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . 0.475 HD11 ' CZ ' ' A' ' 20' ' ' TYR . 5.8 pt -152.35 161.0 3.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.464 1.102 . . . . 0.0 109.291 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' THR . . . . . 0.408 ' HB ' ' CD1' ' A' ' 32' ' ' TRP . 32.5 p -113.26 155.58 24.84 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.509 1.131 . . . . 0.0 110.404 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 2.9 t -125.44 143.24 39.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.493 1.121 . . . . 0.0 109.317 179.917 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . 0.461 ' N ' ' O ' ' A' ' 92' ' ' VAL . . . -134.27 150.13 50.98 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.541 1.15 . . . . 0.0 109.306 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' SER . . . . . 0.47 ' CB ' ' HB3' ' A' ' 68' ' ' PHE . 2.9 m -121.68 108.83 34.81 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.529 1.143 . . . . 0.0 109.982 -179.946 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . 0.4 ' HD2' ' O ' ' A' ' 94' ' ' ASP . 18.4 Cg_endo -74.96 134.88 18.42 Favored 'Trans proline' 0 C--N 1.359 1.116 0 O-C-N 124.55 1.816 . . . . 0.0 110.989 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 62.89 15.74 55.83 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.512 1.133 . . . . 0.0 110.986 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . 0.5 ' CE1' ' HB2' ' A' ' 69' ' ' LEU . 2.9 t80 -123.66 131.65 53.66 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.481 0.754 . . . . 0.0 111.029 179.939 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.5 ' HB2' ' CE1' ' A' ' 68' ' ' PHE . 6.2 tp 67.79 48.84 0.99 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.464 1.103 . . . . 0.0 109.266 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 98.0 m-70 55.75 23.6 6.49 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.513 1.133 . . . . 0.0 109.641 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . 0.436 ' HG3' ' N ' ' A' ' 72' ' ' LYS . 5.5 tp10 -88.53 154.7 20.14 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.426 1.079 . . . . 0.0 110.302 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . 0.436 ' N ' ' HG3' ' A' ' 71' ' ' GLU . 0.2 OUTLIER -59.21 141.56 53.97 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.448 1.092 . . . . 0.0 109.311 179.97 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.36 162.28 17.95 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.554 1.159 . . . . 0.0 109.248 -179.915 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -56.08 161.84 2.2 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.512 1.133 . . . . 0.0 109.273 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 78.13 -52.13 3.65 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.53 1.144 . . . . 0.0 110.978 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -63.62 -52.16 62.08 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.544 0.79 . . . . 0.0 109.297 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 68.6 t80 -59.29 -26.97 65.43 Favored 'General case' 0 C--N 1.327 -0.403 0 O-C-N 124.343 1.027 . . . . 0.0 110.992 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 8.3 mt-30 -67.99 -34.88 77.38 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.512 1.133 . . . . 0.0 110.312 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 3.3 mtmt -73.03 -40.2 65.34 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.464 1.103 . . . . 0.0 109.26 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' TRP . . . . . 0.486 ' CD1' HD21 ' A' ' 84' ' ' LEU . 1.2 t90 -54.87 -51.23 66.6 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.565 1.166 . . . . 0.0 107.99 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 62.1 t80 -54.3 -40.31 67.79 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.533 1.146 . . . . 0.0 110.983 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -75.85 -1.4 25.07 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.53 1.144 . . . . 0.0 109.337 -179.934 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -94.28 -26.98 12.65 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.47 1.106 . . . . 0.0 111.043 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . 0.486 HD21 ' CD1' ' A' ' 80' ' ' TRP . 2.2 pp -105.36 152.73 22.59 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.557 0.798 . . . . 0.0 109.346 179.941 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' ASN . . . . . 0.444 ' C ' ' CG ' ' A' ' 86' ' ' TYR . 0.7 OUTLIER -80.6 -166.64 1.13 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.383 1.052 . . . . 0.0 109.3 179.92 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' TYR . . . . . 0.456 ' N ' ' HD3' ' A' ' 87' ' ' PRO . 7.4 m-85 68.61 60.91 0.66 Allowed Pre-proline 0 C--N 1.326 -0.438 0 O-C-N 124.533 1.145 . . . . 0.0 110.959 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' PRO . . . . . 0.456 ' HD3' ' N ' ' A' ' 86' ' ' TYR . 18.2 Cg_endo -75.02 -9.6 20.82 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.436 1.756 . . . . 0.0 111.014 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -77.17 -2.65 35.5 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.507 1.129 . . . . 0.0 109.234 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . 0.421 ' CD1' ' HD2' ' A' ' 90' ' ' PRO . 4.7 tp -84.94 129.87 54.7 Favored Pre-proline 0 C--N 1.324 -0.531 0 O-C-N 124.533 1.146 . . . . 0.0 109.371 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 90' ' ' PRO . . . . . 0.421 ' HD2' ' CD1' ' A' ' 89' ' ' LEU . 18.5 Cg_endo -74.94 126.53 10.07 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.47 1.773 . . . . 0.0 111.019 -179.95 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 58.2 t -138.01 125.56 29.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.486 1.116 . . . . 0.0 109.35 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . 0.462 ' CG2' ' OH ' ' A' ' 20' ' ' TYR . 47.5 t -118.46 127.02 75.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.423 1.077 . . . . 0.0 109.373 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 3.4 p -106.59 117.53 34.29 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.511 1.132 . . . . 0.0 110.347 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . 0.4 ' O ' ' HD2' ' A' ' 66' ' ' PRO . 63.7 t0 -114.84 109.95 18.94 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.512 1.132 . . . . 0.0 109.334 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 19.1 t-20 -63.98 117.97 7.78 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.43 1.081 . . . . 0.0 109.297 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 88.6 -31.48 4.88 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.493 1.12 . . . . 0.0 111.011 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 77.17 81.41 0.6 Allowed Glycine 0 CA--C 1.531 1.032 0 N-CA-C 110.954 -0.858 . . . . 0.0 110.954 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 1.8 m -75.93 -38.94 57.11 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.491 0.759 . . . . 0.0 110.419 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 2.8 mp -77.54 -36.46 23.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.52 1.137 . . . . 0.0 109.253 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -63.23 -38.51 91.47 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.476 1.11 . . . . 0.0 109.32 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 101' ' ' GLN . . . . . 0.404 ' HG3' ' N ' ' A' ' 102' ' ' SER . 18.7 pt20 -80.35 -38.4 30.6 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.472 1.108 . . . . 0.0 110.245 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 102' ' ' SER . . . . . 0.404 ' N ' ' HG3' ' A' ' 101' ' ' GLN . 18.3 t -56.37 -41.49 76.28 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.469 1.105 . . . . 0.0 110.003 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . 0.449 HD11 ' CD1' ' A' ' 123' ' ' ILE . 5.5 mt -87.07 -19.4 28.65 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.515 1.134 . . . . 0.0 109.387 179.95 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 21.0 t30 68.28 53.41 0.6 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.476 1.11 . . . . 0.0 109.307 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 105' ' ' ILE . . . . . 0.633 ' CD1' ' CE1' ' A' ' 31' ' ' PHE . 68.3 mt -73.23 -100.43 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 O-C-N 124.515 1.134 . . . . 0.0 109.207 -179.942 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 106' ' ' SER . . . . . 0.535 ' CB ' ' O ' ' A' ' 105' ' ' ILE . 1.3 p 87.55 -18.89 0.26 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.519 1.137 . . . . 0.0 110.024 -179.896 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 5.0 m -110.36 131.78 60.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.124 . . . . 0.0 109.226 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 108' ' ' TYR . . . . . 0.557 ' CE1' ' HB3' ' A' ' 31' ' ' PHE . 20.9 m-85 -131.81 152.16 79.83 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.525 1.14 . . . . 0.0 111.033 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 109' ' ' PRO . . . . . 0.514 ' C ' ' HA ' ' A' ' 108' ' ' TYR . 18.5 Cg_endo -75.0 169.79 73.6 Favored 'Cis proline' 0 C--N 1.36 1.141 0 C-N-CA 121.015 -2.494 . . . . 0.0 111.008 0.002 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -144.84 163.05 35.25 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.509 1.131 . . . . 0.0 109.946 -179.923 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 111' ' ' TRP . . . . . 0.531 ' CZ2' ' HD3' ' A' ' 30' ' ' LYS . 33.4 m95 -134.92 138.37 44.03 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.533 1.146 . . . . 0.0 107.939 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -129.34 135.84 49.24 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.486 1.116 . . . . 0.0 109.295 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 50.4 tp -109.14 132.26 54.28 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.487 1.117 . . . . 0.0 109.33 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 35.0 mm -121.36 125.83 74.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.492 1.12 . . . . 0.0 109.284 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 115' ' ' GLY . . . . . 0.473 ' CA ' ' HG3' ' A' ' 121' ' ' GLN . . . -54.3 165.99 2.45 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.522 1.139 . . . . 0.0 110.949 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -67.14 -14.38 62.85 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.491 0.759 . . . . 0.0 109.333 179.944 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -83.29 -23.41 32.64 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.484 1.115 . . . . 0.0 109.34 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . 102.48 28.29 6.43 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.468 1.105 . . . . 0.0 111.06 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 5.6 p-10 -118.04 154.55 31.85 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.564 0.803 . . . . 0.0 109.298 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 81.2 t -60.87 115.73 1.61 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.437 1.086 . . . . 0.0 109.292 -179.901 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 121' ' ' GLN . . . . . 0.473 ' HG3' ' CA ' ' A' ' 115' ' ' GLY . 3.2 mt-30 -89.92 -60.3 1.97 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.506 1.129 . . . . 0.0 110.349 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -148.89 156.88 42.94 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.466 1.104 . . . . 0.0 110.275 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 123' ' ' ILE . . . . . 0.449 ' CD1' HD11 ' A' ' 103' ' ' LEU . 8.3 mm -121.76 134.74 64.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.503 1.127 . . . . 0.0 109.281 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 71.6 t -127.92 115.35 38.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.542 1.151 . . . . 0.0 109.273 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -95.32 137.02 34.95 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.511 1.132 . . . . 0.0 109.286 179.952 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . 109.1 -152.02 17.08 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.448 1.093 . . . . 0.0 111.027 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 1.3 m -118.81 159.02 24.49 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.503 0.766 . . . . 0.0 109.941 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 128' ' ' ILE . . . . . 0.415 ' CG2' ' NE2' ' A' ' 132' ' ' GLN . 3.4 pt -137.27 166.78 24.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.556 1.16 . . . . 0.0 109.366 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 129' ' ' ASN . . . . . . . . . . . . . 1.4 p-10 -107.5 167.89 9.62 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.496 1.123 . . . . 0.0 109.34 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 130' ' ' GLU . . . . . 0.423 ' HB2' ' CZ2' ' A' ' 49' ' ' TRP . 29.1 tt0 -51.58 -44.77 62.89 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.475 1.109 . . . . 0.0 110.399 179.928 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -55.28 -50.23 70.07 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.612 1.195 . . . . 0.0 109.32 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 132' ' ' GLN . . . . . 0.415 ' NE2' ' CG2' ' A' ' 128' ' ' ILE . 23.6 mt-30 -51.46 -44.23 62.33 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.514 1.134 . . . . 0.0 110.295 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 133' ' ' ALA . . . . . 0.7 ' CB ' ' CZ ' ' A' ' 55' ' ' PHE . . . -55.96 -46.13 78.7 Favored 'General case' 0 C--N 1.323 -0.547 0 O-C-N 124.476 1.11 . . . . 0.0 109.306 179.926 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 36.7 mt -60.08 -51.51 69.31 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.4 1.062 . . . . 0.0 109.347 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -60.44 -27.79 67.78 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.426 1.079 . . . . 0.0 109.335 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -72.13 -45.49 60.32 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.461 1.101 . . . . 0.0 109.254 -179.923 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 137' ' ' ILE . . . . . . . . . . . . . 6.4 mt -72.51 -21.42 19.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.512 1.133 . . . . 0.0 109.332 179.915 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -83.0 -47.58 11.56 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.525 1.141 . . . . 0.0 110.295 -179.934 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -166.36 131.19 1.75 Allowed Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.533 1.146 . . . . 0.0 109.273 179.934 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.98 -13.04 21.56 Favored 'Trans proline' 0 C--N 1.359 1.114 0 O-C-N 124.488 1.783 . . . . 0.0 111.011 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 141' ' ' ASN . . . . . . . . . . . . . 72.1 m-80 -81.19 -20.92 40.14 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.526 1.141 . . . . 0.0 109.283 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -57.05 164.77 1.5 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.486 1.116 . . . . 0.0 109.249 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 143' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 61.75 118.32 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.477 1.111 . . . . 0.0 109.278 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.324 -0.509 0 O-C-N 124.545 1.153 . . . . 0.0 109.236 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.318 0 CA-C-O 120.482 0.182 . . . . 0.0 111.048 . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . 0.434 ' N ' ' HD3' ' A' ' 3' ' ' PRO . 19.6 m -136.02 63.57 51.48 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.45 1.094 . . . . 0.0 109.366 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . 0.434 ' HD3' ' N ' ' A' ' 2' ' ' VAL . 18.3 Cg_endo -74.96 -63.46 0.03 OUTLIER 'Trans proline' 0 C--N 1.361 1.2 0 O-C-N 124.431 1.753 . . . . 0.0 110.994 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . 0.424 ' O ' ' N ' ' A' ' 8' ' ' THR . 3.8 p80 -74.48 -29.49 61.46 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.481 1.113 . . . . 0.0 109.628 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -58.06 -51.82 68.08 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.439 1.087 . . . . 0.0 110.377 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -68.29 -41.43 81.0 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.472 1.107 . . . . 0.0 109.323 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 4.8 t -66.33 -23.14 66.31 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.537 1.148 . . . . 0.0 110.035 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' THR . . . . . 0.424 ' N ' ' O ' ' A' ' 4' ' ' HIS . 3.2 m -72.78 -37.18 67.68 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.415 1.072 . . . . 0.0 110.393 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.42 HD13 ' CB ' ' A' ' 94' ' ' ASP . 1.9 mm? -50.78 131.63 26.1 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.52 1.138 . . . . 0.0 109.278 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 10.9 mtmm -105.17 153.97 20.82 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.476 1.11 . . . . 0.0 109.347 179.909 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 41.3 p -81.53 176.79 9.38 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.496 1.122 . . . . 0.0 110.438 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -72.52 -14.28 61.61 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.489 1.118 . . . . 0.0 109.357 179.938 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 8.5 p-10 -99.87 27.22 5.61 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.423 1.077 . . . . 0.0 109.374 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER 47.32 64.7 1.48 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.616 1.197 . . . . 0.0 109.249 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 1.1 mtt-85 -139.35 150.05 62.72 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.462 1.101 . . . . 0.0 110.349 179.923 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . 0.477 ' O ' ' CG2' ' A' ' 19' ' ' VAL . 18.3 Cg_endo -75.06 128.97 11.86 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.521 1.801 . . . . 0.0 111.042 179.954 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -55.06 -22.91 17.59 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.523 1.14 . . . . 0.0 109.35 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -61.08 -19.51 61.51 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.542 1.151 . . . . 0.0 109.98 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . 0.477 ' CG2' ' O ' ' A' ' 16' ' ' PRO . 44.3 t -43.42 -43.52 1.52 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.522 1.139 . . . . 0.0 109.27 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . 0.54 ' CE2' HG22 ' A' ' 61' ' ' ILE . 8.3 p90 -111.35 -11.51 14.15 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.381 1.051 . . . . 0.0 111.016 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.498 ' O ' ' CB ' ' A' ' 22' ' ' LYS . 0.4 OUTLIER -89.34 107.03 18.83 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.509 1.13 . . . . 0.0 109.329 179.942 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . 0.498 ' CB ' ' O ' ' A' ' 21' ' ' LEU . 0.0 OUTLIER 163.35 -174.62 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.489 1.118 . . . . 0.0 109.222 -179.989 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER 67.88 24.84 7.97 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.514 1.134 . . . . 0.0 109.297 -179.938 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 58.7 m-20 44.05 39.11 2.59 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.555 1.16 . . . . 0.0 109.342 -179.937 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -104.69 161.14 23.71 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.362 1.038 . . . . 0.0 109.357 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 156.09 43.02 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.528 1.804 . . . . 0.0 111.026 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 81.3 m -133.25 139.63 47.05 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.404 1.065 . . . . 0.0 110.351 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 47.1 tp -120.09 136.19 54.67 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.431 1.082 . . . . 0.0 109.269 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . 0.469 HG22 ' CG2' ' A' ' 63' ' ' VAL . 2.5 mt -113.88 148.59 16.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.467 1.104 . . . . 0.0 109.266 -179.955 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 12.3 tttt -138.78 113.07 8.75 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.44 1.087 . . . . 0.0 109.339 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . 0.592 ' HB3' ' CE1' ' A' ' 108' ' ' TYR . 70.6 m-85 -87.4 131.36 34.33 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.485 1.115 . . . . 0.0 111.011 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' TRP . . . . . 0.594 ' CZ3' ' CD1' ' A' ' 43' ' ' LEU . 11.0 p-90 -136.78 170.14 16.58 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.526 1.141 . . . . 0.0 108.013 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -128.42 151.42 49.4 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.597 1.186 . . . . 0.0 109.349 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -79.71 -28.34 40.62 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.504 1.127 . . . . 0.0 110.006 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 45.5 p-90 -82.11 0.64 39.77 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 107.945 -1.132 . . . . 0.0 107.945 -179.889 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 47.4 t -100.41 108.94 55.35 Favored Pre-proline 0 C--N 1.324 -0.531 0 O-C-N 124.492 1.12 . . . . 0.0 108.255 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.0 -29.66 7.99 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.498 1.789 . . . . 0.0 110.962 179.934 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 1.5 tm? -68.25 -30.9 70.04 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.439 1.087 . . . . 0.0 109.284 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 1.3 m -78.33 -44.02 26.27 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.55 1.156 . . . . 0.0 108.298 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.421 ' HA ' ' CD1' ' A' ' 43' ' ' LEU . 4.4 mt -51.61 -42.94 62.35 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.525 1.141 . . . . 0.0 109.279 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 82.0 p -68.23 -26.09 65.53 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.539 1.149 . . . . 0.0 109.953 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . 0.404 ' O ' ' N ' ' A' ' 46' ' ' THR . 1.5 tt0 -84.49 -23.58 29.79 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.567 1.167 . . . . 0.0 110.271 -179.919 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.594 ' CD1' ' CZ3' ' A' ' 32' ' ' TRP . 76.4 mt -49.43 -54.77 15.83 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.49 1.118 . . . . 0.0 109.316 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -55.63 -51.17 56.67 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.564 1.165 . . . . 0.0 110.972 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 2.8 tp-100 -61.22 -33.78 74.05 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.486 0.757 . . . . 0.0 110.328 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' THR . . . . . 0.404 ' N ' ' O ' ' A' ' 42' ' ' GLU . 31.6 m -68.02 -35.11 77.74 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.53 1.144 . . . . 0.0 110.428 179.854 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . 0.499 ' HE2' ' N ' ' A' ' 89' ' ' LEU . 60.3 tt0 -67.57 -32.44 73.2 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.457 1.098 . . . . 0.0 110.289 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.9 -31.9 51.47 Favored 'General case' 0 C--N 1.323 -0.55 0 O-C-N 124.583 1.177 . . . . 0.0 109.288 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' TRP . . . . . 0.511 ' CE2' ' HB2' ' A' ' 130' ' ' GLU . 46.8 m0 -77.59 -28.58 51.69 Favored 'General case' 0 C--N 1.325 -0.5 0 N-CA-C 107.988 -1.115 . . . . 0.0 107.988 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -76.83 -17.35 59.05 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.482 1.114 . . . . 0.0 109.282 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -109.43 3.88 21.85 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.475 1.11 . . . . 0.0 110.325 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . 0.428 ' O ' ' N ' ' A' ' 56' ' ' SER . 0.9 OUTLIER -73.15 134.2 44.35 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.461 1.101 . . . . 0.0 109.244 -179.895 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -53.22 -52.01 60.3 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.535 1.147 . . . . 0.0 109.324 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . 0.467 ' HB3' ' CD2' ' A' ' 134' ' ' LEU . 0.6 OUTLIER -49.0 -43.8 40.64 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.506 1.129 . . . . 0.0 109.243 179.969 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . 0.578 ' CZ ' ' CD1' ' A' ' 60' ' ' LEU . 0.1 OUTLIER -77.11 -27.43 54.06 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.501 1.125 . . . . 0.0 111.029 -179.978 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' SER . . . . . 0.428 ' N ' ' O ' ' A' ' 52' ' ' ASP . 12.1 t -45.91 -35.67 4.78 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.457 1.098 . . . . 0.0 109.978 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -46.38 -61.78 1.65 Allowed 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.452 1.095 . . . . 0.0 110.044 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -97.29 165.91 11.8 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.446 1.091 . . . . 0.0 109.325 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 52.2 m-20 -88.79 130.31 35.39 Favored 'General case' 0 C--N 1.323 -0.547 0 O-C-N 124.565 1.166 . . . . 0.0 109.337 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.578 ' CD1' ' CZ ' ' A' ' 55' ' ' PHE . 5.7 tt -121.16 126.44 49.71 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.455 1.097 . . . . 0.0 109.332 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . 0.54 HG22 ' CE2' ' A' ' 20' ' ' TYR . 1.9 pp -150.6 161.26 3.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.454 1.096 . . . . 0.0 109.323 -179.957 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' THR . . . . . 0.419 ' HB ' ' CD1' ' A' ' 32' ' ' TRP . 38.8 p -110.15 156.66 20.31 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.562 1.164 . . . . 0.0 110.428 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . 0.469 ' CG2' HG22 ' A' ' 29' ' ' ILE . 2.6 t -127.14 142.16 44.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.51 1.131 . . . . 0.0 109.282 -179.948 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . 0.429 ' N ' ' O ' ' A' ' 92' ' ' VAL . . . -133.82 147.31 51.2 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.481 1.113 . . . . 0.0 109.307 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 57.5 p -121.24 108.45 36.08 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.548 1.155 . . . . 0.0 109.95 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.95 136.8 20.99 Favored 'Trans proline' 0 C--N 1.361 1.219 0 O-C-N 124.437 1.756 . . . . 0.0 110.98 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 68.72 11.03 62.08 Favored Glycine 0 CA--C 1.529 0.906 0 O-C-N 124.457 1.098 . . . . 0.0 111.049 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . 0.457 ' CD1' HD23 ' A' ' 69' ' ' LEU . 10.1 t80 -123.91 130.43 52.59 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.51 0.77 . . . . 0.0 110.947 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.457 HD23 ' CD1' ' A' ' 68' ' ' PHE . 2.7 mm? 69.08 48.39 0.69 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.51 1.131 . . . . 0.0 109.259 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 29.9 m-70 53.63 22.54 3.11 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.511 1.132 . . . . 0.0 109.621 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 5.5 tp10 -83.52 151.87 25.19 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.43 1.082 . . . . 0.0 110.356 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 5.0 mmtt -60.1 137.27 58.14 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.381 1.05 . . . . 0.0 109.37 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 4.4 mtmt -63.15 165.7 6.92 Favored 'General case' 0 C--N 1.323 -0.566 0 O-C-N 124.522 1.139 . . . . 0.0 109.328 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -54.06 161.25 1.29 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.559 1.162 . . . . 0.0 109.229 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 77.41 -53.03 3.51 Favored Glycine 0 CA--C 1.531 1.087 0 O-C-N 124.491 1.12 . . . . 0.0 110.979 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -61.55 -52.46 64.35 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.528 0.781 . . . . 0.0 109.359 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 59.5 t80 -59.25 -27.16 65.53 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.505 1.128 . . . . 0.0 110.966 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 6.3 mt-30 -69.97 -30.26 67.57 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.486 1.116 . . . . 0.0 110.309 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -81.45 -37.86 27.33 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.511 1.132 . . . . 0.0 109.293 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' TRP . . . . . 0.451 ' CD1' HD13 ' A' ' 84' ' ' LEU . 2.1 t90 -63.02 -46.68 86.45 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.552 1.158 . . . . 0.0 108.078 179.945 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' TYR . . . . . 0.403 ' O ' ' O ' ' A' ' 84' ' ' LEU . 8.2 t80 -68.05 -28.02 67.02 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.541 1.151 . . . . 0.0 110.976 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -81.35 4.74 19.65 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.505 1.128 . . . . 0.0 109.321 179.938 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -115.79 -4.66 18.99 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.401 1.063 . . . . 0.0 110.999 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . 0.451 HD13 ' CD1' ' A' ' 80' ' ' TRP . 0.1 OUTLIER -154.38 168.69 25.79 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.525 0.78 . . . . 0.0 109.364 179.92 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 8.0 m-20 68.88 126.83 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.556 1.16 . . . . 0.0 109.317 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 7.3 m-85 -74.85 164.67 59.8 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.467 1.105 . . . . 0.0 111.009 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 45.93 1.43 Allowed 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.451 1.764 . . . . 0.0 111.024 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -142.03 13.08 2.04 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.458 1.099 . . . . 0.0 109.334 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . 0.499 ' N ' ' HE2' ' A' ' 47' ' ' GLU . 4.5 tp -116.31 127.54 26.68 Favored Pre-proline 0 C--N 1.326 -0.442 0 O-C-N 124.533 1.145 . . . . 0.0 109.357 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.07 127.2 10.44 Favored 'Trans proline' 0 C--N 1.359 1.105 0 O-C-N 124.62 1.852 . . . . 0.0 110.939 -179.941 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 71.1 t -139.0 128.9 31.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.52 1.138 . . . . 0.0 109.368 179.938 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . 0.429 ' O ' ' N ' ' A' ' 64' ' ' ALA . 69.0 t -123.07 129.96 74.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.477 1.111 . . . . 0.0 109.288 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 4.7 p -113.42 117.46 31.79 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.446 1.091 . . . . 0.0 110.449 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . 0.42 ' CB ' HD13 ' A' ' 9' ' ' LEU . 61.4 t0 -114.81 111.49 21.31 Favored 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.473 1.108 . . . . 0.0 109.3 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 1.5 m120 -58.85 113.79 2.23 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.477 1.111 . . . . 0.0 109.321 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 87.41 -18.17 39.21 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.52 1.137 . . . . 0.0 111.032 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 63.31 67.31 2.12 Favored Glycine 0 CA--C 1.531 1.079 0 N-CA-C 111.011 -0.835 . . . . 0.0 111.011 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 98' ' ' THR . . . . . 0.455 ' O ' ' CB ' ' A' ' 102' ' ' SER . 2.4 m -56.3 -34.22 66.3 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.578 0.81 . . . . 0.0 110.442 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 3.3 mt -74.99 -35.48 35.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.541 1.151 . . . . 0.0 109.226 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -69.36 -40.2 77.64 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.532 1.145 . . . . 0.0 109.243 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 34.4 mt-30 -80.49 -35.86 34.14 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.508 1.13 . . . . 0.0 110.301 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 102' ' ' SER . . . . . 0.455 ' CB ' ' O ' ' A' ' 98' ' ' THR . 4.3 m -61.03 -47.11 87.95 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.541 1.151 . . . . 0.0 110.032 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . 0.457 ' HB3' ' CD1' ' A' ' 123' ' ' ILE . 10.4 mt -87.1 -6.69 58.59 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.502 1.126 . . . . 0.0 109.358 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 104' ' ' ASN . . . . . 0.41 ' O ' ' CG ' ' A' ' 104' ' ' ASN . 13.2 t-20 58.14 63.05 1.85 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.547 1.154 . . . . 0.0 109.332 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 105' ' ' ILE . . . . . 0.449 HG21 ' CG1' ' A' ' 107' ' ' VAL . 9.8 mt -95.63 -77.62 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.541 1.15 . . . . 0.0 109.272 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 1.6 p 53.77 26.01 5.64 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.536 1.147 . . . . 0.0 109.998 -179.928 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 107' ' ' VAL . . . . . 0.449 ' CG1' HG21 ' A' ' 105' ' ' ILE . 7.6 p -141.55 132.57 26.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.557 1.161 . . . . 0.0 109.282 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 108' ' ' TYR . . . . . 0.592 ' CE1' ' HB3' ' A' ' 31' ' ' PHE . 15.3 m-85 -131.54 152.71 80.93 Favored Pre-proline 0 C--N 1.326 -0.435 0 O-C-N 124.436 1.085 . . . . 0.0 110.949 -179.922 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 109' ' ' PRO . . . . . 0.508 ' C ' ' HA ' ' A' ' 108' ' ' TYR . 18.4 Cg_endo -75.04 166.99 81.8 Favored 'Cis proline' 0 C--N 1.359 1.105 0 C-N-CA 121.059 -2.475 . . . . 0.0 110.948 0.092 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 2.8 m -149.48 151.78 34.52 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.513 1.133 . . . . 0.0 110.009 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 111' ' ' TRP . . . . . . . . . . . . . 60.0 m95 -129.98 138.18 50.7 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.437 1.085 . . . . 0.0 108.073 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -134.53 137.65 44.0 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.573 1.171 . . . . 0.0 109.295 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 36.3 tp -108.46 139.19 43.55 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.422 1.076 . . . . 0.0 109.342 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 43.5 mm -121.12 118.84 57.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.516 1.135 . . . . 0.0 109.305 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -41.18 161.88 0.02 OUTLIER Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.48 1.113 . . . . 0.0 111.03 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 9.2 pttt -68.59 -10.61 57.0 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.537 0.787 . . . . 0.0 109.347 179.919 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -89.67 -21.71 22.62 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.504 1.127 . . . . 0.0 109.29 -179.899 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . 102.2 31.92 5.13 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.497 1.123 . . . . 0.0 110.997 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 2.1 p-10 -121.7 149.97 42.46 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.49 0.759 . . . . 0.0 109.304 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 29.5 t -55.73 116.96 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.442 1.089 . . . . 0.0 109.332 179.888 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -91.38 -61.99 1.53 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.546 1.154 . . . . 0.0 110.32 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 122' ' ' ARG . . . . . 0.408 ' CZ ' ' CB ' ' A' ' 122' ' ' ARG . 0.2 OUTLIER -158.33 155.06 28.11 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.493 1.121 . . . . 0.0 110.333 179.989 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 123' ' ' ILE . . . . . 0.457 ' CD1' ' HB3' ' A' ' 103' ' ' LEU . 2.9 tt -114.12 141.23 31.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.595 1.184 . . . . 0.0 109.328 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 85.6 t -125.41 124.9 67.99 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.555 0 O-C-N 124.509 1.131 . . . . 0.0 109.35 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 3.2 ptpt -105.58 118.0 35.46 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.46 1.1 . . . . 0.0 109.268 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . 131.54 -159.08 23.06 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.493 1.12 . . . . 0.0 110.98 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 1.8 m -117.5 162.78 17.42 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.473 0.749 . . . . 0.0 109.996 -179.916 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 128' ' ' ILE . . . . . . . . . . . . . 10.6 pt -139.01 163.21 27.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.578 1.174 . . . . 0.0 109.217 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 129' ' ' ASN . . . . . . . . . . . . . 1.1 p30 -107.71 167.78 9.72 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.464 1.102 . . . . 0.0 109.363 179.914 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 130' ' ' GLU . . . . . 0.511 ' HB2' ' CE2' ' A' ' 49' ' ' TRP . 0.7 OUTLIER -53.69 -31.78 49.21 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.515 1.134 . . . . 0.0 110.259 179.976 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -65.82 -51.6 57.57 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.55 1.156 . . . . 0.0 109.304 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -51.66 -42.46 62.12 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.5 1.125 . . . . 0.0 110.327 179.948 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 133' ' ' ALA . . . . . 0.562 ' HB1' ' CZ ' ' A' ' 55' ' ' PHE . . . -54.54 -45.86 73.51 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.559 1.162 . . . . 0.0 109.247 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 134' ' ' LEU . . . . . 0.467 ' CD2' ' HB3' ' A' ' 54' ' ' LYS . 8.2 mt -60.44 -48.04 83.48 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.484 1.115 . . . . 0.0 109.324 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -62.36 -26.02 68.22 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.565 1.166 . . . . 0.0 109.272 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 9.6 tp -74.1 -44.0 55.58 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.529 1.143 . . . . 0.0 109.369 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 137' ' ' ILE . . . . . 0.403 HD13 ' CD1' ' A' ' 55' ' ' PHE . 5.5 mt -74.44 -21.91 17.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.414 1.071 . . . . 0.0 109.28 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -82.94 -47.56 11.65 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.485 1.116 . . . . 0.0 110.293 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 41.6 t0 -139.49 125.87 12.33 Favored Pre-proline 0 C--N 1.324 -0.534 0 O-C-N 124.51 1.131 . . . . 0.0 109.361 179.923 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -22.07 15.23 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.42 1.747 . . . . 0.0 110.981 179.934 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 141' ' ' ASN . . . . . . . . . . . . . 81.2 m-20 -70.91 -22.81 62.21 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.633 1.208 . . . . 0.0 109.304 -179.944 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -50.32 123.97 9.55 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.453 1.096 . . . . 0.0 109.393 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 143' ' ' ASP . . . . . . . . . . . . . 26.3 t0 -106.9 152.11 24.36 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.489 1.118 . . . . 0.0 109.335 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.324 -0.507 0 O-C-N 124.618 1.199 . . . . 0.0 109.455 -179.891 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 4.7 mtt . . . . . 0 N--CA 1.453 -0.321 0 CA-C-O 120.548 0.213 . . . . 0.0 111.088 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . 0.496 ' N ' ' HD3' ' A' ' 3' ' ' PRO . 7.4 p -150.98 60.74 4.12 Favored Pre-proline 0 C--N 1.326 -0.436 0 O-C-N 124.58 1.175 . . . . 0.0 109.257 -179.908 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . 0.496 ' HD3' ' N ' ' A' ' 2' ' ' VAL . 18.1 Cg_endo -75.06 -32.15 5.55 Favored 'Trans proline' 0 C--N 1.361 1.214 0 O-C-N 124.449 1.763 . . . . 0.0 110.997 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 6.0 m170 -48.52 -60.22 2.86 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.593 1.183 . . . . 0.0 109.553 -179.945 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' THR . . . . . 0.473 HG23 ' CG2' ' A' ' 2' ' ' VAL . 72.4 p -60.76 -50.75 72.23 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.46 1.1 . . . . 0.0 110.307 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -51.64 -36.45 46.15 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.424 1.077 . . . . 0.0 109.358 -179.947 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 1.4 m -75.34 -28.17 59.49 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.491 1.12 . . . . 0.0 109.998 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 1.3 m -74.8 -11.79 60.24 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.461 1.1 . . . . 0.0 110.367 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -76.42 114.02 14.67 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.508 1.13 . . . . 0.0 109.284 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -100.31 150.48 22.53 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.547 1.155 . . . . 0.0 109.253 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 34.3 p -88.62 175.2 7.64 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.502 1.126 . . . . 0.0 110.379 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . 0.466 ' HB1' ' CD2' ' A' ' 81' ' ' TYR . . . -57.69 -21.03 38.05 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.477 1.111 . . . . 0.0 109.288 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -89.47 15.72 8.81 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.472 1.108 . . . . 0.0 109.295 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 52.57 30.22 8.25 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.507 1.129 . . . . 0.0 109.317 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 6.8 mtp180 -102.23 156.15 35.59 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.476 1.11 . . . . 0.0 110.311 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.13 124.61 8.67 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.486 1.782 . . . . 0.0 110.99 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -46.16 -32.08 2.77 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.469 1.105 . . . . 0.0 109.339 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 24.8 p -51.21 -23.48 3.44 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.476 1.11 . . . . 0.0 109.949 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 20.1 t -64.26 -27.51 42.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.457 1.098 . . . . 0.0 109.361 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 14.8 m-85 -124.01 22.32 8.8 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.437 1.086 . . . . 0.0 110.998 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -120.5 110.92 17.05 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.479 1.112 . . . . 0.0 109.27 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -96.34 108.53 21.06 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.504 1.127 . . . . 0.0 109.319 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 9.9 mttt -72.38 53.59 0.3 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.492 1.12 . . . . 0.0 109.319 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 10.4 p-10 174.1 36.2 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.459 1.099 . . . . 0.0 109.32 -179.937 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -169.05 162.47 7.79 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.466 1.104 . . . . 0.0 109.306 -179.9 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 148.4 35.12 Favored 'Trans proline' 0 C--N 1.361 1.227 0 O-C-N 124.412 1.743 . . . . 0.0 111.038 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 39.7 m -130.17 125.4 34.93 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.513 1.133 . . . . 0.0 110.415 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.509 HD22 ' CE3' ' A' ' 111' ' ' TRP . 8.8 tp -105.84 127.9 53.41 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.506 1.129 . . . . 0.0 109.319 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 14.2 mt -110.78 148.7 13.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.588 1.18 . . . . 0.0 109.296 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.558 ' HB2' ' CE3' ' A' ' 111' ' ' TRP . 1.0 OUTLIER -138.92 113.24 8.81 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.417 1.073 . . . . 0.0 109.348 179.983 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . 0.699 ' CE1' ' CD1' ' A' ' 105' ' ' ILE . 59.1 m-85 -84.96 132.54 34.34 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.492 1.12 . . . . 0.0 111.062 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' TRP . . . . . 0.505 ' CD1' ' HB ' ' A' ' 62' ' ' THR . 4.8 p-90 -137.47 166.83 22.93 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 107.978 -1.119 . . . . 0.0 107.978 -179.878 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . 0.483 ' HB1' ' CE2' ' A' ' 35' ' ' TRP . . . -128.31 127.9 43.59 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.492 1.12 . . . . 0.0 109.284 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 5.2 m -54.11 -30.0 47.01 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.575 1.172 . . . . 0.0 110.004 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' TRP . . . . . 0.483 ' CE2' ' HB1' ' A' ' 33' ' ' ALA . 24.2 p-90 -76.69 -25.0 53.15 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.51 1.131 . . . . 0.0 108.022 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . 0.421 ' N ' ' O ' ' A' ' 33' ' ' ALA . 48.5 t -70.83 114.33 25.98 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.484 1.115 . . . . 0.0 108.305 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -42.37 0.52 Allowed 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.502 1.79 . . . . 0.0 110.972 -179.917 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 5.3 tt -57.47 -34.24 68.82 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.47 1.106 . . . . 0.0 109.352 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 41.8 m -74.39 -43.45 56.37 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.54 1.15 . . . . 0.0 108.28 -179.92 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 46.5 mt -51.18 -48.7 61.86 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.47 1.106 . . . . 0.0 109.312 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -69.19 -24.99 64.11 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.543 1.152 . . . . 0.0 110.075 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 2.4 tp10 -77.45 -26.33 51.39 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.569 1.168 . . . . 0.0 110.312 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.437 HD22 ' CE3' ' A' ' 32' ' ' TRP . 55.7 mt -44.18 -54.54 5.55 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.47 1.106 . . . . 0.0 109.287 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -51.32 -50.5 40.5 Favored Glycine 0 CA--C 1.531 1.057 0 O-C-N 124.481 1.113 . . . . 0.0 110.946 -179.936 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . 0.444 ' CG ' ' CE2' ' A' ' 49' ' ' TRP . 3.5 tt0 -61.06 -29.32 69.67 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.541 0.789 . . . . 0.0 110.265 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 97.7 m -75.85 -39.79 55.93 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.59 1.181 . . . . 0.0 110.413 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . 0.441 ' OE2' ' N ' ' A' ' 89' ' ' LEU . 4.9 tt0 -65.81 -35.08 79.69 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.459 1.1 . . . . 0.0 110.3 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.412 ' O ' ' HG2' ' A' ' 51' ' ' GLN . 1.6 tttm -76.55 -56.61 4.46 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.444 1.09 . . . . 0.0 109.234 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' TRP . . . . . 0.453 ' HB3' ' CE2' ' A' ' 55' ' ' PHE . 46.9 m0 -54.97 -26.15 34.62 Favored 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.494 1.121 . . . . 0.0 108.04 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -68.96 -9.64 53.21 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.591 1.182 . . . . 0.0 109.294 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . 0.412 ' HG2' ' O ' ' A' ' 48' ' ' LYS . 1.6 pt20 -111.71 -9.84 14.1 Favored 'General case' 0 C--N 1.326 -0.414 0 O-C-N 124.509 1.13 . . . . 0.0 110.317 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . 0.431 ' OD1' ' N ' ' A' ' 55' ' ' PHE . 0.8 OUTLIER -58.68 123.66 17.11 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.535 1.147 . . . . 0.0 109.359 179.969 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . 0.443 ' O ' ' N ' ' A' ' 56' ' ' SER . . . -55.3 -50.9 68.36 Favored 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.499 1.124 . . . . 0.0 109.23 -179.939 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 1.2 mmtm -48.65 -33.9 10.79 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.464 1.103 . . . . 0.0 109.35 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . 0.453 ' CE2' ' HB3' ' A' ' 49' ' ' TRP . 0.1 OUTLIER -76.84 -28.04 55.33 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.526 1.141 . . . . 0.0 111.035 179.918 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' SER . . . . . 0.443 ' N ' ' O ' ' A' ' 53' ' ' ALA . 50.0 m -46.99 -40.84 15.25 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.509 1.13 . . . . 0.0 110.029 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' SER . . . . . 0.403 ' C ' ' O ' ' A' ' 56' ' ' SER . 0.3 OUTLIER -39.26 -33.29 0.14 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.482 1.114 . . . . 0.0 109.981 179.997 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . 0.4 ' O ' ' O ' ' A' ' 55' ' ' PHE . . . -132.35 164.63 26.04 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.534 1.146 . . . . 0.0 109.273 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 4.0 m-20 -89.6 122.37 32.68 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.536 1.147 . . . . 0.0 109.337 179.93 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.518 ' C ' ' CD2' ' A' ' 60' ' ' LEU . 1.8 tt -105.87 125.42 50.97 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.496 1.123 . . . . 0.0 109.326 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . 0.436 ' CG2' ' O ' ' A' ' 60' ' ' LEU . 0.9 OUTLIER -153.84 163.15 1.88 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.564 1.165 . . . . 0.0 109.305 179.977 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' THR . . . . . 0.505 ' HB ' ' CD1' ' A' ' 32' ' ' TRP . 30.4 p -115.57 154.7 28.93 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.525 1.141 . . . . 0.0 110.447 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 3.0 t -126.55 145.11 34.63 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 O-C-N 124.557 1.161 . . . . 0.0 109.411 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . 0.565 ' CB ' ' CZ ' ' A' ' 77' ' ' PHE . . . -133.94 149.77 51.28 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.418 1.074 . . . . 0.0 109.228 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' SER . . . . . 0.4 ' CB ' ' HB3' ' A' ' 68' ' ' PHE . 3.3 t -123.15 108.52 32.11 Favored Pre-proline 0 C--N 1.326 -0.435 0 O-C-N 124.397 1.06 . . . . 0.0 109.958 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . 0.406 ' HD2' ' O ' ' A' ' 94' ' ' ASP . 18.5 Cg_endo -75.03 135.6 19.23 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.585 1.834 . . . . 0.0 111.032 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 69.78 6.97 57.8 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.54 1.15 . . . . 0.0 110.945 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . 0.4 ' HB3' ' CB ' ' A' ' 65' ' ' SER . 39.8 t80 -125.09 128.81 49.05 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.483 0.755 . . . . 0.0 110.992 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.644 ' CD2' ' CE2' ' A' ' 108' ' ' TYR . 0.8 OUTLIER 77.08 21.44 1.11 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.511 1.132 . . . . 0.0 109.331 -179.955 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER 70.93 22.6 4.58 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.518 1.136 . . . . 0.0 109.549 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . 0.403 ' O ' ' C ' ' A' ' 72' ' ' LYS . 0.1 OUTLIER -85.9 145.02 27.35 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.432 1.083 . . . . 0.0 110.308 179.997 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . 0.403 ' C ' ' O ' ' A' ' 71' ' ' GLU . 1.0 OUTLIER -39.65 142.44 0.31 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.497 1.123 . . . . 0.0 109.212 -179.969 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 4.5 tttp -70.45 159.22 34.63 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.571 1.169 . . . . 0.0 109.292 179.939 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 10.3 t0 -50.51 142.13 11.19 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.472 1.108 . . . . 0.0 109.318 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 89.35 -40.14 3.08 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.481 1.113 . . . . 0.0 111.066 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -78.09 -33.36 50.72 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.48 0.753 . . . . 0.0 109.354 179.936 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' PHE . . . . . 0.565 ' CZ ' ' CB ' ' A' ' 64' ' ' ALA . 32.6 t80 -69.09 -58.05 4.6 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.543 1.152 . . . . 0.0 111.007 179.91 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -54.19 -34.44 60.53 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.498 1.124 . . . . 0.0 110.264 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 11.5 mttt -62.24 -43.13 99.52 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.552 1.157 . . . . 0.0 109.281 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' TRP . . . . . . . . . . . . . 1.3 t90 -56.15 -50.51 70.96 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.521 1.138 . . . . 0.0 108.013 -179.935 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' TYR . . . . . 0.466 ' CD2' ' HB1' ' A' ' 12' ' ' ALA . 58.9 t80 -57.71 -36.81 72.49 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.505 1.128 . . . . 0.0 110.999 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -74.9 -2.69 28.06 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.406 1.067 . . . . 0.0 109.258 -179.942 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -90.31 -22.2 35.65 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.445 1.091 . . . . 0.0 111.002 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -109.1 142.04 40.4 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.492 0.76 . . . . 0.0 109.336 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -67.07 -161.98 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.46 1.1 . . . . 0.0 109.283 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' TYR . . . . . 0.416 ' N ' ' HD3' ' A' ' 87' ' ' PRO . 58.7 m-85 57.18 63.37 5.12 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.54 1.15 . . . . 0.0 111.027 -179.899 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' PRO . . . . . 0.416 ' HD3' ' N ' ' A' ' 86' ' ' TYR . 18.2 Cg_endo -75.02 43.98 1.08 Allowed 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.53 1.805 . . . . 0.0 110.988 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . 0.402 ' H ' ' C ' ' A' ' 86' ' ' TYR . 22.8 tttp -118.75 -12.8 9.62 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.521 1.138 . . . . 0.0 109.259 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . 0.445 ' CD2' ' HD2' ' A' ' 90' ' ' PRO . 0.7 OUTLIER -71.29 122.41 87.0 Favored Pre-proline 0 C--N 1.324 -0.518 0 O-C-N 124.543 1.152 . . . . 0.0 109.263 -179.936 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 90' ' ' PRO . . . . . 0.445 ' HD2' ' CD2' ' A' ' 89' ' ' LEU . 17.9 Cg_endo -74.96 128.41 11.49 Favored 'Trans proline' 0 C--N 1.361 1.209 0 O-C-N 124.525 1.803 . . . . 0.0 110.938 -179.949 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 55.2 t -147.41 125.23 3.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.48 1.113 . . . . 0.0 109.308 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . 0.454 ' O ' ' N ' ' A' ' 64' ' ' ALA . 39.7 t -108.7 145.56 15.47 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.546 1.154 . . . . 0.0 109.32 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 93' ' ' THR . . . . . 0.498 ' CG2' ' CE1' ' A' ' 77' ' ' PHE . 2.2 p -123.19 114.27 20.05 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.428 1.08 . . . . 0.0 110.417 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . 0.406 ' O ' ' HD2' ' A' ' 66' ' ' PRO . 67.7 t0 -114.93 110.34 19.49 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.563 1.164 . . . . 0.0 109.304 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 17.7 t-20 -60.55 110.38 1.26 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.467 1.104 . . . . 0.0 109.288 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 90.07 -26.69 9.41 Favored Glycine 0 CA--C 1.529 0.933 0 O-C-N 124.569 1.168 . . . . 0.0 111.024 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 72.33 74.11 0.79 Allowed Glycine 0 CA--C 1.528 0.901 0 N-CA-C 110.988 -0.845 . . . . 0.0 110.988 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 98' ' ' THR . . . . . 0.492 ' O ' ' CB ' ' A' ' 102' ' ' SER . 1.4 m -62.2 -37.45 85.36 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.466 0.745 . . . . 0.0 110.315 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 3.7 mt -81.59 -39.01 16.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.524 1.14 . . . . 0.0 109.311 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -63.81 -47.68 79.87 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.47 1.107 . . . . 0.0 109.261 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 8.3 pt20 -72.94 -32.35 65.21 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.505 1.128 . . . . 0.0 110.28 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 102' ' ' SER . . . . . 0.492 ' CB ' ' O ' ' A' ' 98' ' ' THR . 10.7 t -68.37 -21.57 64.71 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.549 1.156 . . . . 0.0 109.997 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 17.1 mt -106.08 -8.29 17.56 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.448 1.093 . . . . 0.0 109.261 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 7.0 t-20 70.96 47.02 0.44 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.451 1.094 . . . . 0.0 109.31 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 105' ' ' ILE . . . . . 0.699 ' CD1' ' CE1' ' A' ' 31' ' ' PHE . 14.6 mt -85.61 116.79 29.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.409 1.068 . . . . 0.0 109.28 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 6.3 p -145.42 26.6 1.29 Allowed 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.553 1.158 . . . . 0.0 109.954 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 1.5 p -146.66 132.85 13.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.572 1.17 . . . . 0.0 109.229 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 108' ' ' TYR . . . . . 0.644 ' CE2' ' CD2' ' A' ' 69' ' ' LEU . 20.7 m-30 -130.57 153.37 81.44 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.515 1.135 . . . . 0.0 111.055 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 109' ' ' PRO . . . . . 0.502 ' C ' ' HA ' ' A' ' 108' ' ' TYR . 18.5 Cg_endo -74.89 162.71 92.25 Favored 'Cis proline' 0 C--N 1.359 1.096 0 C-N-CA 121.083 -2.465 . . . . 0.0 111.021 -0.039 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -136.03 163.22 30.81 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.52 1.138 . . . . 0.0 110.009 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 111' ' ' TRP . . . . . 0.558 ' CE3' ' HB2' ' A' ' 30' ' ' LYS . 85.7 m95 -139.86 141.89 36.6 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.505 1.128 . . . . 0.0 108.043 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -135.47 131.7 36.46 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.493 1.12 . . . . 0.0 109.258 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 26.4 tp -108.61 123.7 49.35 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.548 1.155 . . . . 0.0 109.248 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 30.1 mm -112.38 120.45 62.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.527 1.142 . . . . 0.0 109.358 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 115' ' ' GLY . . . . . 0.42 ' N ' ' O ' ' A' ' 119' ' ' ASP . . . -45.87 171.53 0.02 OUTLIER Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.514 1.134 . . . . 0.0 111.0 -179.945 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -79.3 0.84 27.18 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.515 0.773 . . . . 0.0 109.271 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -103.02 -1.2 29.66 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.453 1.095 . . . . 0.0 109.324 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . 81.69 34.43 25.02 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.425 1.078 . . . . 0.0 110.982 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 119' ' ' ASP . . . . . 0.42 ' O ' ' N ' ' A' ' 115' ' ' GLY . 3.5 p-10 -124.65 159.78 30.01 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.572 0.807 . . . . 0.0 109.258 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 42.6 t -65.94 117.5 6.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.491 1.119 . . . . 0.0 109.27 -179.943 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 13.9 tt0 -92.4 -62.29 1.43 Allowed 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.544 1.153 . . . . 0.0 110.259 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 7.6 ttp85 -150.0 158.41 44.14 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.455 1.097 . . . . 0.0 110.244 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 123' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -123.27 141.57 43.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.539 1.149 . . . . 0.0 109.317 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 96.4 t -134.75 120.03 30.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.556 1.16 . . . . 0.0 109.304 179.892 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 54.4 mttt -104.31 110.66 22.97 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.543 1.152 . . . . 0.0 109.301 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . 136.32 -164.1 25.1 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.54 1.15 . . . . 0.0 111.073 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -112.34 139.09 48.19 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.553 0.796 . . . . 0.0 109.959 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 128' ' ' ILE . . . . . . . . . . . . . 7.7 pt -116.86 162.77 14.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.535 1.147 . . . . 0.0 109.276 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 129' ' ' ASN . . . . . . . . . . . . . 1.3 p30 -108.63 166.66 10.63 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.485 1.116 . . . . 0.0 109.318 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 130' ' ' GLU . . . . . 0.411 ' HB2' ' CZ2' ' A' ' 49' ' ' TRP . 1.6 tt0 -46.89 -46.04 20.87 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.482 1.114 . . . . 0.0 110.254 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -52.25 -52.57 51.8 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.489 1.118 . . . . 0.0 109.29 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 1.3 mt-30 -51.07 -45.78 61.52 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.369 1.043 . . . . 0.0 110.308 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -54.08 -50.54 66.55 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.474 1.109 . . . . 0.0 109.284 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 10.9 mt -60.34 -53.24 59.96 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.45 1.094 . . . . 0.0 109.388 179.927 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -56.94 -30.83 64.37 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.441 1.088 . . . . 0.0 109.272 179.939 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 2.5 tp -68.85 -42.35 77.22 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.503 1.127 . . . . 0.0 109.368 179.943 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 137' ' ' ILE . . . . . . . . . . . . . 5.3 mt -77.89 -26.45 14.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.426 1.079 . . . . 0.0 109.301 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 2.0 ttp180 -75.02 -47.74 27.5 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.532 1.145 . . . . 0.0 110.262 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 3.4 t0 -169.85 130.4 0.95 Allowed Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.568 1.167 . . . . 0.0 109.266 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.9 -10.79 21.55 Favored 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.449 1.763 . . . . 0.0 111.048 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 141' ' ' ASN . . . . . . . . . . . . . 75.9 m-20 -74.99 -27.36 60.12 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.467 1.104 . . . . 0.0 109.272 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -41.27 108.19 0.09 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.585 1.178 . . . . 0.0 109.369 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 143' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -110.6 153.69 24.82 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.126 . . . . 0.0 109.301 -179.911 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 144' ' ' LEU . . . . . 0.429 ' CD2' ' C ' ' A' ' 144' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.514 1.134 . . . . 0.0 109.324 -179.95 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 55.8 mtt . . . . . 0 N--CA 1.453 -0.282 0 CA-C-O 120.483 0.182 . . . . 0.0 110.995 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . 0.42 ' N ' ' HD3' ' A' ' 3' ' ' PRO . 8.0 p -139.15 64.43 33.02 Favored Pre-proline 0 C--N 1.326 -0.443 0 O-C-N 124.493 1.121 . . . . 0.0 109.301 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . 0.42 ' HD3' ' N ' ' A' ' 2' ' ' VAL . 18.0 Cg_endo -75.0 -20.33 16.97 Favored 'Trans proline' 0 C--N 1.359 1.119 0 O-C-N 124.574 1.828 . . . . 0.0 110.988 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 78.4 t60 -70.88 -38.17 73.05 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.416 1.073 . . . . 0.0 109.656 179.916 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' THR . . . . . 0.419 ' HB ' ' CG2' ' A' ' 2' ' ' VAL . 36.4 m -71.27 -49.1 46.52 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.456 1.097 . . . . 0.0 110.389 -179.949 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 6.4 tp -58.79 -45.53 89.67 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.562 1.164 . . . . 0.0 109.342 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 96.7 p -69.71 -23.51 63.43 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.446 1.092 . . . . 0.0 109.997 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 1.2 m -80.79 -27.55 36.63 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.457 1.098 . . . . 0.0 110.41 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -51.36 133.59 29.05 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.477 1.11 . . . . 0.0 109.275 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 14.4 mttt -106.21 154.48 20.66 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.483 1.115 . . . . 0.0 109.245 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 39.8 p -89.79 175.56 7.18 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.54 1.15 . . . . 0.0 110.451 179.916 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -61.16 -15.25 31.74 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.575 1.172 . . . . 0.0 109.318 179.928 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -95.6 22.9 6.58 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.423 1.077 . . . . 0.0 109.244 -179.929 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 48.68 30.09 2.43 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.505 1.128 . . . . 0.0 109.333 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 5.2 mtm180 -102.11 148.17 35.0 Favored Pre-proline 0 C--N 1.326 -0.44 0 O-C-N 124.34 1.025 . . . . 0.0 110.28 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 130.16 13.07 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.545 1.813 . . . . 0.0 111.005 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -57.27 -23.73 50.22 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.567 1.167 . . . . 0.0 109.265 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 30.2 t -56.13 -30.74 62.55 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.502 1.126 . . . . 0.0 110.011 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 97.6 t -57.03 -31.98 38.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.471 1.107 . . . . 0.0 109.302 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 15.5 m-85 -116.77 24.16 11.45 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.487 1.117 . . . . 0.0 111.052 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -125.21 116.36 21.87 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.542 1.151 . . . . 0.0 109.365 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -100.96 124.13 46.19 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.517 1.135 . . . . 0.0 109.295 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.408 ' O ' ' CB ' ' A' ' 24' ' ' ASP . 21.8 mmtm -72.89 54.3 0.37 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.49 1.119 . . . . 0.0 109.298 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . 0.408 ' CB ' ' O ' ' A' ' 23' ' ' LYS . 1.2 p-10 162.54 39.7 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.512 1.132 . . . . 0.0 109.354 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 12.5 mmtm -153.27 151.43 25.78 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.583 1.177 . . . . 0.0 109.34 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.09 126.31 9.83 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.523 1.801 . . . . 0.0 110.985 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 64.0 m -109.32 139.41 44.3 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.464 1.103 . . . . 0.0 110.381 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 13.6 tp -123.65 127.79 48.73 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.445 1.091 . . . . 0.0 109.332 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 4.0 mt -108.33 149.97 11.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.548 1.155 . . . . 0.0 109.251 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.563 ' HB2' ' CE3' ' A' ' 111' ' ' TRP . 6.2 tptp -137.21 117.29 13.39 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.523 1.139 . . . . 0.0 109.297 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . 0.696 ' CZ ' ' CD1' ' A' ' 105' ' ' ILE . 65.8 m-85 -88.29 140.46 29.46 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.521 1.138 . . . . 0.0 110.966 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' TRP . . . . . 0.558 ' CZ3' HD13 ' A' ' 43' ' ' LEU . 28.3 p-90 -151.21 170.67 18.91 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.568 1.168 . . . . 0.0 108.013 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . 0.482 ' HB2' ' CE2' ' A' ' 35' ' ' TRP . . . -132.46 154.79 49.53 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.563 1.164 . . . . 0.0 109.308 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' SER . . . . . 0.445 ' HB3' ' CZ3' ' A' ' 80' ' ' TRP . 0.4 OUTLIER -78.57 -30.53 46.83 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.506 1.129 . . . . 0.0 109.989 -179.945 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' TRP . . . . . 0.482 ' CE2' ' HB2' ' A' ' 33' ' ' ALA . 10.4 p-90 -73.41 -6.77 48.4 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.496 1.123 . . . . 0.0 108.039 179.934 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 49.1 t -96.33 111.43 56.68 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.5 1.125 . . . . 0.0 108.289 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 -33.93 4.21 Favored 'Trans proline' 0 C--N 1.361 1.213 0 O-C-N 124.446 1.761 . . . . 0.0 111.0 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 1.5 tm? -63.53 -31.95 73.27 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.579 1.175 . . . . 0.0 109.271 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -78.52 -43.28 27.26 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.487 1.117 . . . . 0.0 108.372 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 16.5 mt -51.36 -47.91 62.66 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.571 1.17 . . . . 0.0 109.304 179.912 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 6.4 p -68.24 -24.94 64.96 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.482 1.114 . . . . 0.0 109.939 -179.927 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 21.3 tt0 -82.2 -23.8 35.25 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.498 1.124 . . . . 0.0 110.285 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.558 HD13 ' CZ3' ' A' ' 32' ' ' TRP . 79.7 mt -46.73 -54.48 9.61 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.449 1.093 . . . . 0.0 109.23 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -57.59 -51.18 59.41 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.46 1.1 . . . . 0.0 111.036 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . 0.48 ' HG2' ' CZ2' ' A' ' 49' ' ' TRP . 1.3 tt0 -54.78 -34.0 62.09 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.473 0.749 . . . . 0.0 110.26 -179.891 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 86.0 m -65.69 -42.58 91.06 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.513 1.133 . . . . 0.0 110.41 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 21.7 tt0 -59.3 -47.82 83.95 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.496 1.123 . . . . 0.0 110.302 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 3.5 ttmt -61.76 -32.49 72.74 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.466 1.104 . . . . 0.0 109.33 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' TRP . . . . . 0.48 ' CZ2' ' HG2' ' A' ' 45' ' ' GLN . 46.3 m0 -78.15 -31.26 49.68 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 107.975 -1.12 . . . . 0.0 107.975 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -79.12 -11.47 59.98 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.594 1.184 . . . . 0.0 109.199 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 1.2 pp0? -109.15 1.62 20.47 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.641 1.213 . . . . 0.0 110.343 179.939 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . 0.454 ' OD1' ' N ' ' A' ' 55' ' ' PHE . 3.0 t70 -76.0 134.16 40.21 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.494 1.121 . . . . 0.0 109.309 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -57.75 -53.82 53.83 Favored 'General case' 0 C--N 1.323 -0.55 0 O-C-N 124.49 1.119 . . . . 0.0 109.344 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 3.3 mmtm -46.77 -41.44 15.32 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.467 1.105 . . . . 0.0 109.321 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . 0.572 ' CZ ' HD12 ' A' ' 60' ' ' LEU . 0.1 OUTLIER -77.53 -27.36 51.62 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.34 1.025 . . . . 0.0 111.069 179.933 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' SER . . . . . 0.403 ' O ' ' C ' ' A' ' 57' ' ' SER . 12.0 t -45.8 -40.93 10.32 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.565 1.166 . . . . 0.0 109.941 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' SER . . . . . 0.403 ' C ' ' O ' ' A' ' 56' ' ' SER . 16.9 t -38.78 -61.85 0.68 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.486 1.116 . . . . 0.0 109.958 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -98.45 165.65 11.74 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.591 1.182 . . . . 0.0 109.35 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 11.8 m-20 -89.09 133.57 34.32 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.413 1.071 . . . . 0.0 109.24 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.572 HD12 ' CZ ' ' A' ' 55' ' ' PHE . 3.1 tt -125.79 126.39 44.46 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.491 1.119 . . . . 0.0 109.282 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . 0.412 ' N ' HD21 ' A' ' 60' ' ' LEU . 9.4 pt -151.92 162.3 2.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.472 1.107 . . . . 0.0 109.266 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 18.5 p -112.22 157.24 21.14 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.597 1.186 . . . . 0.0 110.398 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 2.4 t -129.82 144.82 36.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 O-C-N 124.552 1.158 . . . . 0.0 109.318 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . 0.668 ' CB ' ' CZ ' ' A' ' 77' ' ' PHE . . . -133.45 149.41 51.77 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.542 1.151 . . . . 0.0 109.261 -179.939 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' SER . . . . . 0.469 ' HB3' ' CB ' ' A' ' 68' ' ' PHE . 74.6 m -120.23 108.63 37.89 Favored Pre-proline 0 C--N 1.324 -0.518 0 O-C-N 124.593 1.183 . . . . 0.0 109.96 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.01 131.25 14.07 Favored 'Trans proline' 0 C--N 1.359 1.108 0 O-C-N 124.504 1.792 . . . . 0.0 110.965 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 74.66 7.41 79.75 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.467 1.104 . . . . 0.0 110.979 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . 0.554 ' CD2' HD13 ' A' ' 69' ' ' LEU . 2.4 t80 -108.64 133.52 52.63 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.406 0.709 . . . . 0.0 110.994 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.554 HD13 ' CD2' ' A' ' 68' ' ' PHE . 9.9 mp 57.27 45.32 20.49 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.569 1.168 . . . . 0.0 109.36 -179.919 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER 57.49 41.25 26.29 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.586 1.179 . . . . 0.0 109.575 179.916 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . 0.419 ' HG3' ' N ' ' A' ' 72' ' ' LYS . 4.2 tp10 -100.32 148.92 24.15 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.461 1.101 . . . . 0.0 110.332 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . 0.419 ' N ' ' HG3' ' A' ' 71' ' ' GLU . 19.0 mttt -50.95 133.03 27.36 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.506 1.129 . . . . 0.0 109.324 -179.949 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 2.3 ttmt -65.46 163.2 16.32 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.439 1.087 . . . . 0.0 109.325 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -50.79 149.4 3.42 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.474 1.109 . . . . 0.0 109.359 179.946 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 82.53 -50.45 4.35 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.487 1.117 . . . . 0.0 111.013 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -71.8 -31.02 66.15 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.499 0.764 . . . . 0.0 109.269 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' PHE . . . . . 0.668 ' CZ ' ' CB ' ' A' ' 64' ' ' ALA . 21.1 t80 -77.52 -57.04 4.04 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.442 1.089 . . . . 0.0 111.035 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 17.9 pt20 -50.75 -27.56 7.4 Favored 'General case' 0 C--N 1.327 -0.397 0 O-C-N 124.502 1.126 . . . . 0.0 110.278 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 8.8 mtmt -67.24 -43.28 82.35 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.49 1.119 . . . . 0.0 109.31 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' TRP . . . . . 0.445 ' CZ3' ' HB3' ' A' ' 34' ' ' SER . 3.0 t90 -54.22 -53.97 46.32 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.542 1.151 . . . . 0.0 107.99 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 13.7 t80 -56.0 -41.9 75.6 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.514 1.133 . . . . 0.0 110.964 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -63.17 -17.85 62.83 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.383 1.052 . . . . 0.0 109.275 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -92.29 -15.23 54.24 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.472 1.108 . . . . 0.0 111.042 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 17.9 mt -83.73 145.87 28.5 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.468 0.746 . . . . 0.0 109.315 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -74.38 173.87 9.67 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.444 1.09 . . . . 0.0 109.37 179.925 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' TYR . . . . . 0.409 ' C ' ' H ' ' A' ' 88' ' ' LYS . 66.1 m-85 56.2 66.29 3.59 Favored Pre-proline 0 C--N 1.323 -0.548 0 O-C-N 124.53 1.143 . . . . 0.0 111.012 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 44.31 1.14 Allowed 'Trans proline' 0 C--N 1.361 1.204 0 O-C-N 124.542 1.812 . . . . 0.0 111.032 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . 0.409 ' H ' ' C ' ' A' ' 86' ' ' TYR . 45.1 mttt -121.94 -6.45 9.0 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.473 1.108 . . . . 0.0 109.269 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . 0.436 ' CD1' ' HD2' ' A' ' 90' ' ' PRO . 0.1 OUTLIER -76.81 136.87 66.57 Favored Pre-proline 0 C--N 1.324 -0.543 0 O-C-N 124.539 1.149 . . . . 0.0 109.232 179.99 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 90' ' ' PRO . . . . . 0.436 ' HD2' ' CD1' ' A' ' 89' ' ' LEU . 18.1 Cg_endo -74.99 127.55 10.78 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.426 1.75 . . . . 0.0 110.973 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 17.2 t -143.38 119.78 5.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 O-C-N 124.514 1.134 . . . . 0.0 109.339 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . 0.437 ' O ' ' N ' ' A' ' 64' ' ' ALA . 61.6 t -109.23 138.15 37.93 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 O-C-N 124.577 1.173 . . . . 0.0 109.241 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 93' ' ' THR . . . . . 0.474 ' CG2' ' CE1' ' A' ' 77' ' ' PHE . 3.9 p -118.77 117.17 28.16 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.536 1.147 . . . . 0.0 110.396 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 60.6 t0 -114.76 111.63 21.55 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.5 1.125 . . . . 0.0 109.372 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 2.7 m120 -60.45 115.92 3.92 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.422 1.076 . . . . 0.0 109.297 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 87.8 -19.77 31.72 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.408 1.068 . . . . 0.0 110.991 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 64.31 71.76 0.81 Allowed Glycine 0 CA--C 1.53 0.989 0 N-CA-C 110.977 -0.849 . . . . 0.0 110.977 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 1.8 m -67.27 -35.36 79.35 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.478 0.752 . . . . 0.0 110.379 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 2.7 mp -74.21 -33.6 35.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.454 1.096 . . . . 0.0 109.292 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -71.45 -38.85 71.27 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.598 1.187 . . . . 0.0 109.316 -179.947 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 1.9 mt-30 -80.46 -35.16 35.29 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.446 1.091 . . . . 0.0 110.256 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 3.5 m -64.98 -37.55 88.04 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.445 1.09 . . . . 0.0 109.957 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . 0.419 ' HB3' ' CD1' ' A' ' 123' ' ' ILE . 44.4 mt -91.45 -2.43 57.26 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 0.0 109.277 -179.909 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 15.9 t-20 57.31 57.66 4.33 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.494 1.121 . . . . 0.0 109.326 -179.894 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 105' ' ' ILE . . . . . 0.696 ' CD1' ' CZ ' ' A' ' 31' ' ' PHE . 88.3 mt -89.58 -82.43 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.528 1.142 . . . . 0.0 109.233 -179.945 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 106' ' ' SER . . . . . 0.411 ' OG ' ' O ' ' A' ' 105' ' ' ILE . 12.6 p 53.9 26.13 5.94 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.551 1.157 . . . . 0.0 110.0 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 7.4 p -148.7 132.22 7.97 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 O-C-N 124.408 1.067 . . . . 0.0 109.289 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 108' ' ' TYR . . . . . 0.589 ' CE1' ' HB3' ' A' ' 31' ' ' PHE . 14.5 m-85 -131.34 152.44 80.54 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.497 1.123 . . . . 0.0 110.969 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 109' ' ' PRO . . . . . 0.499 ' C ' ' HA ' ' A' ' 108' ' ' TYR . 18.3 Cg_endo -74.96 165.06 86.92 Favored 'Cis proline' 0 C--N 1.36 1.176 0 C-N-CA 120.99 -2.504 . . . . 0.0 111.023 -0.077 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -145.18 160.86 40.79 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.589 1.181 . . . . 0.0 110.026 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 111' ' ' TRP . . . . . 0.563 ' CE3' ' HB2' ' A' ' 30' ' ' LYS . 91.2 m95 -134.82 139.88 45.42 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.497 1.123 . . . . 0.0 107.97 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -129.15 134.09 47.89 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.481 1.113 . . . . 0.0 109.313 179.881 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 28.0 tp -108.89 123.95 49.89 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.567 1.167 . . . . 0.0 109.27 179.919 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 114' ' ' ILE . . . . . 0.416 ' CD1' ' HA ' ' A' ' 120' ' ' VAL . 45.4 mm -112.19 125.39 69.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.428 1.08 . . . . 0.0 109.271 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -49.72 166.8 0.35 Allowed Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.525 1.141 . . . . 0.0 110.996 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -68.98 -11.68 60.96 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.43 0.724 . . . . 0.0 109.278 -179.95 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -86.56 -21.03 27.11 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.506 1.129 . . . . 0.0 109.333 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . 99.78 29.02 7.12 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.487 1.117 . . . . 0.0 110.971 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 1.6 p-10 -119.52 159.0 25.15 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.427 0.722 . . . . 0.0 109.236 -179.939 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 120' ' ' VAL . . . . . 0.416 ' HA ' ' CD1' ' A' ' 114' ' ' ILE . 55.6 t -58.49 116.02 1.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.533 1.146 . . . . 0.0 109.305 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 32.5 tt0 -92.89 -61.77 1.52 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.588 1.18 . . . . 0.0 110.294 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -156.33 153.16 28.57 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.532 1.145 . . . . 0.0 110.299 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 123' ' ' ILE . . . . . 0.419 ' CD1' ' HB3' ' A' ' 103' ' ' LEU . 1.8 tp -106.75 137.35 37.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.479 1.112 . . . . 0.0 109.264 -179.949 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 80.2 t -127.84 111.28 24.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.502 1.126 . . . . 0.0 109.329 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -98.77 127.0 44.56 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.521 1.138 . . . . 0.0 109.314 179.922 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . 129.01 -156.75 21.34 Favored Glycine 0 CA--C 1.529 0.913 0 O-C-N 124.487 1.117 . . . . 0.0 111.008 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -128.46 147.13 50.65 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.455 0.738 . . . . 0.0 110.014 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 128' ' ' ILE . . . . . . . . . . . . . 5.2 pt -127.47 162.38 33.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.482 1.114 . . . . 0.0 109.332 -179.922 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 129' ' ' ASN . . . . . . . . . . . . . 2.8 p30 -110.36 167.54 10.12 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.5 1.125 . . . . 0.0 109.32 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 7.0 tp10 -48.76 -43.48 37.85 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.513 1.133 . . . . 0.0 110.326 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -51.23 -55.59 17.33 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.509 1.131 . . . . 0.0 109.257 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 4.2 mt-30 -50.91 -47.34 60.86 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.455 1.097 . . . . 0.0 110.3 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -51.84 -46.83 64.53 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.418 1.074 . . . . 0.0 109.341 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 16.1 mt -65.98 -49.79 66.6 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.59 1.181 . . . . 0.0 109.3 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -55.03 -23.06 17.92 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.121 . . . . 0.0 109.268 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -78.66 -37.21 42.46 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.551 1.157 . . . . 0.0 109.283 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 137' ' ' ILE . . . . . . . . . . . . . 1.5 mt -82.61 -26.96 8.5 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 O-C-N 124.483 1.115 . . . . 0.0 109.292 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -81.3 -47.53 13.21 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.517 1.136 . . . . 0.0 110.263 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 18.0 t0 -103.25 121.11 49.9 Favored Pre-proline 0 C--N 1.326 -0.442 0 O-C-N 124.445 1.091 . . . . 0.0 109.276 -179.93 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.0 -21.83 15.44 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.549 1.816 . . . . 0.0 111.001 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 141' ' ' ASN . . . . . . . . . . . . . 44.3 m-80 -78.09 -15.26 59.04 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.455 1.097 . . . . 0.0 109.288 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -93.62 67.5 3.92 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.46 1.1 . . . . 0.0 109.353 179.944 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 143' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 55.25 98.33 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.416 1.073 . . . . 0.0 109.218 179.943 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.326 -0.455 0 O-C-N 124.583 1.177 . . . . 0.0 109.365 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.295 0 CA-C-O 120.554 0.216 . . . . 0.0 111.001 . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . 0.465 ' CG2' ' OG1' ' A' ' 5' ' ' THR . 6.0 p -132.91 76.28 70.83 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.488 1.117 . . . . 0.0 109.341 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 -40.22 0.98 Allowed 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.501 1.79 . . . . 0.0 111.042 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 20.2 m170 -51.3 -31.74 22.49 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.52 1.137 . . . . 0.0 109.589 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' THR . . . . . 0.465 ' OG1' ' CG2' ' A' ' 2' ' ' VAL . 59.7 m -77.87 -53.8 7.06 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.622 1.201 . . . . 0.0 110.418 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 8.4 mt -57.29 -37.08 71.86 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.483 1.115 . . . . 0.0 109.311 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -75.55 -22.47 57.02 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.467 1.104 . . . . 0.0 110.039 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 1.3 m -77.74 -20.32 53.67 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.501 1.126 . . . . 0.0 110.427 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.448 HD12 ' CB ' ' A' ' 94' ' ' ASP . 4.0 mm? -56.77 129.1 39.85 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.552 1.157 . . . . 0.0 109.317 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 6.6 mttt -112.95 140.54 47.68 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.466 1.104 . . . . 0.0 109.29 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' THR . . . . . 0.412 ' CB ' ' O ' ' A' ' 91' ' ' VAL . 20.9 p -78.37 178.13 7.93 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.578 1.173 . . . . 0.0 110.394 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -72.27 -5.86 39.01 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.545 1.153 . . . . 0.0 109.226 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . 0.407 ' OD2' ' N ' ' A' ' 13' ' ' ASP . 0.0 OUTLIER -102.66 23.72 11.6 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.522 1.139 . . . . 0.0 109.29 -179.997 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER 48.64 42.83 19.96 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.563 1.164 . . . . 0.0 109.322 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 5.6 mtt-85 -122.33 159.53 51.94 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.571 1.169 . . . . 0.0 110.273 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.84 132.26 15.44 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.484 1.781 . . . . 0.0 111.039 179.881 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -54.45 -27.43 37.3 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.498 1.124 . . . . 0.0 109.301 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' SER . . . . . 0.432 ' HA ' ' CB ' ' A' ' 21' ' ' LEU . 57.6 p -56.45 -26.59 54.28 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.454 1.096 . . . . 0.0 109.983 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 2.6 t -40.14 -47.8 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 O-C-N 124.557 1.16 . . . . 0.0 109.299 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . 0.505 ' CG ' HG22 ' A' ' 61' ' ' ILE . 17.6 p90 -104.16 -17.29 14.95 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.437 1.086 . . . . 0.0 110.978 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.432 ' CB ' ' HA ' ' A' ' 18' ' ' SER . 0.1 OUTLIER -75.79 119.79 20.28 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.451 1.094 . . . . 0.0 109.331 179.963 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . 0.415 ' O ' ' N ' ' A' ' 24' ' ' ASP . 5.6 mttm -124.59 110.42 14.4 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.564 1.165 . . . . 0.0 109.361 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 1.2 tttt -70.55 54.97 0.16 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.563 1.164 . . . . 0.0 109.294 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . 0.415 ' N ' ' O ' ' A' ' 22' ' ' LYS . 34.6 t70 -175.55 31.28 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.46 1.1 . . . . 0.0 109.317 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.486 ' CE ' ' OD1' ' A' ' 59' ' ' ASN . 0.1 OUTLIER -171.8 162.07 4.74 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.509 1.131 . . . . 0.0 109.267 -179.974 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.06 149.15 36.03 Favored 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.402 1.738 . . . . 0.0 110.997 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' THR . . . . . 0.435 ' OG1' ' ND2' ' A' ' 59' ' ' ASN . 54.6 m -133.26 132.65 41.67 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.437 1.086 . . . . 0.0 110.409 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.57 HD21 ' CE3' ' A' ' 111' ' ' TRP . 7.5 tp -112.8 129.43 56.44 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.47 1.106 . . . . 0.0 109.255 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 1.5 mp -110.24 150.82 12.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.466 1.104 . . . . 0.0 109.348 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.56 ' HE3' ' CH2' ' A' ' 111' ' ' TRP . 1.1 mppt? -139.05 117.0 11.63 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.594 1.184 . . . . 0.0 109.288 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . 0.581 ' HB3' ' CE1' ' A' ' 108' ' ' TYR . 71.1 m-85 -86.89 131.36 34.13 Favored 'General case' 0 C--N 1.323 -0.545 0 O-C-N 124.557 1.16 . . . . 0.0 111.075 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' TRP . . . . . 0.571 ' CH2' HD12 ' A' ' 43' ' ' LEU . 10.6 p-90 -139.51 167.91 21.03 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.473 1.108 . . . . 0.0 108.01 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -132.45 156.42 46.75 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.522 1.139 . . . . 0.0 109.236 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 32.5 t -80.16 -25.03 39.98 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.506 1.129 . . . . 0.0 109.98 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' TRP . . . . . 0.453 ' CD1' ' HG2' ' A' ' 71' ' ' GLU . 14.0 p-90 -84.97 -2.25 57.71 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 108.006 -1.109 . . . . 0.0 108.006 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 48.8 t -99.21 115.33 65.8 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.521 1.138 . . . . 0.0 108.254 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.04 -54.39 0.09 OUTLIER 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.472 1.775 . . . . 0.0 110.991 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 3.0 tt -48.11 -27.27 2.25 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.546 1.154 . . . . 0.0 109.325 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 6.3 m -78.63 -54.45 6.11 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.483 1.114 . . . . 0.0 108.345 179.938 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -51.92 -37.39 52.43 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.435 1.084 . . . . 0.0 109.33 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 2.9 p -72.76 -25.46 61.19 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.487 1.117 . . . . 0.0 109.981 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 2.3 tp10 -84.38 -17.94 37.73 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.55 1.156 . . . . 0.0 110.321 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.571 HD12 ' CH2' ' A' ' 32' ' ' TRP . 20.4 mt -55.3 -55.06 35.76 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.532 1.145 . . . . 0.0 109.311 -179.905 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -53.14 -52.56 39.37 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.464 1.103 . . . . 0.0 111.03 179.911 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . 0.562 ' HG2' ' CZ2' ' A' ' 49' ' ' TRP . 1.0 OUTLIER -61.74 -35.28 77.64 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.473 0.749 . . . . 0.0 110.232 179.999 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 91.0 m -70.73 -39.21 73.48 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.583 1.177 . . . . 0.0 110.336 -179.926 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 9.9 tt0 -58.64 -38.82 78.92 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.464 1.103 . . . . 0.0 110.287 -179.907 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 14.1 ttpt -78.48 -31.48 47.83 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.52 1.137 . . . . 0.0 109.324 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' TRP . . . . . 0.562 ' CZ2' ' HG2' ' A' ' 45' ' ' GLN . 40.7 m0 -63.17 -29.01 70.45 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.571 1.17 . . . . 0.0 108.042 179.943 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -75.23 -11.43 60.07 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.394 1.059 . . . . 0.0 109.278 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 1.8 mm-40 -95.42 -12.24 26.28 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.536 1.148 . . . . 0.0 110.243 -179.925 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 48.4 t0 -70.87 130.2 41.02 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.466 1.103 . . . . 0.0 109.285 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -60.27 -43.62 96.04 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.543 1.152 . . . . 0.0 109.31 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 10.2 mttt -50.0 -38.55 37.87 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.539 1.149 . . . . 0.0 109.257 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . 0.566 ' CZ ' ' HB2' ' A' ' 133' ' ' ALA . 0.2 OUTLIER -76.7 -27.89 55.67 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.567 1.167 . . . . 0.0 110.94 179.979 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' SER . . . . . 0.414 ' O ' ' C ' ' A' ' 57' ' ' SER . 13.6 p -47.39 -36.93 10.39 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.581 1.176 . . . . 0.0 109.923 -179.958 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' SER . . . . . 0.414 ' C ' ' O ' ' A' ' 56' ' ' SER . 0.5 OUTLIER -38.58 -57.1 1.21 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.503 1.127 . . . . 0.0 109.979 -179.971 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -110.11 165.94 11.35 Favored 'General case' 0 C--N 1.323 -0.554 0 O-C-N 124.604 1.19 . . . . 0.0 109.244 -179.945 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . 0.486 ' OD1' ' CE ' ' A' ' 25' ' ' LYS . 2.3 m-20 -88.4 120.89 30.2 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.512 1.133 . . . . 0.0 109.33 179.926 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.548 HD11 ' CE1' ' A' ' 55' ' ' PHE . 0.8 OUTLIER -104.25 127.22 51.85 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.49 1.119 . . . . 0.0 109.385 179.951 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . 0.505 HG22 ' CG ' ' A' ' 20' ' ' TYR . 0.2 OUTLIER -152.95 160.27 3.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.478 1.111 . . . . 0.0 109.248 -179.939 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' THR . . . . . 0.514 ' HB ' ' CD1' ' A' ' 32' ' ' TRP . 25.7 p -109.43 154.57 22.42 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.517 1.136 . . . . 0.0 110.288 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 2.6 t -126.52 139.06 52.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.548 1.155 . . . . 0.0 109.303 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -134.71 134.41 41.02 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.442 1.089 . . . . 0.0 109.389 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' SER . . . . . 0.443 ' CB ' ' HB3' ' A' ' 68' ' ' PHE . 5.8 m -108.06 107.46 60.26 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.493 1.121 . . . . 0.0 109.995 -179.874 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 137.65 21.97 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.518 1.799 . . . . 0.0 110.958 -179.928 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 66.85 8.23 47.1 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.391 1.057 . . . . 0.0 110.996 179.945 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . 0.543 ' CE2' HD21 ' A' ' 69' ' ' LEU . 53.6 t80 -123.58 131.94 53.75 Favored 'General case' 0 C--N 1.327 -0.401 0 O-C-N 124.454 0.738 . . . . 0.0 110.965 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.543 HD21 ' CE2' ' A' ' 68' ' ' PHE . 0.3 OUTLIER 75.89 29.5 0.8 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.417 1.073 . . . . 0.0 109.255 179.923 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER 61.59 22.8 13.21 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.51 1.131 . . . . 0.0 109.62 -179.938 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . 0.453 ' HG2' ' CD1' ' A' ' 35' ' ' TRP . 0.0 OUTLIER -88.96 155.93 19.2 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.55 1.156 . . . . 0.0 110.309 179.95 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 48.9 mmtt -41.62 135.81 2.05 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.513 1.133 . . . . 0.0 109.314 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 1.4 tttt -75.54 164.57 26.21 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.481 1.113 . . . . 0.0 109.231 -179.929 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -51.49 146.2 7.68 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.549 1.156 . . . . 0.0 109.297 179.938 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 84.48 -44.91 3.41 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.543 1.152 . . . . 0.0 110.998 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -68.28 -55.7 11.22 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.469 0.746 . . . . 0.0 109.41 179.92 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 57.0 t80 -56.45 -26.98 55.48 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.509 1.131 . . . . 0.0 110.972 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 7.6 mt-30 -74.09 -29.73 62.0 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.529 1.143 . . . . 0.0 110.266 -179.942 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.97 -32.69 57.45 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.547 1.155 . . . . 0.0 109.363 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' TRP . . . . . . . . . . . . . 2.0 t90 -65.51 -46.5 79.42 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.502 1.126 . . . . 0.0 108.025 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 4.6 t80 -60.83 -33.24 72.72 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.45 1.094 . . . . 0.0 111.014 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -66.21 -14.72 62.36 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.508 1.13 . . . . 0.0 109.319 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -87.99 -3.4 79.75 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.429 1.081 . . . . 0.0 111.013 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -141.4 97.24 3.12 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.551 0.795 . . . . 0.0 109.244 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' ASN . . . . . 0.458 ' O ' ' CG ' ' A' ' 86' ' ' TYR . 37.5 m-20 -73.65 125.53 28.25 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.397 1.061 . . . . 0.0 109.244 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 86' ' ' TYR . . . . . 0.458 ' CG ' ' O ' ' A' ' 85' ' ' ASN . 8.0 m-85 -166.44 81.62 1.01 Allowed Pre-proline 0 C--N 1.324 -0.528 0 O-C-N 124.607 1.192 . . . . 0.0 111.006 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 0.72 8.57 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.527 1.804 . . . . 0.0 111.057 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 48.2 mmtt -105.22 15.34 27.59 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.503 1.127 . . . . 0.0 109.303 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 8.8 tp -127.4 120.57 22.17 Favored Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.388 1.055 . . . . 0.0 109.276 179.935 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 90' ' ' PRO . . . . . 0.426 ' HG2' ' HA ' ' A' ' 61' ' ' ILE . 18.2 Cg_endo -75.09 127.43 10.61 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.543 1.812 . . . . 0.0 111.035 179.918 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . 0.412 ' O ' ' CB ' ' A' ' 11' ' ' THR . 73.1 t -135.84 124.66 38.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.485 1.116 . . . . 0.0 109.296 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 45.6 t -121.85 131.76 72.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.492 1.12 . . . . 0.0 109.248 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 2.9 p -117.17 117.88 30.8 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.531 1.145 . . . . 0.0 110.434 179.941 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . 0.448 ' CB ' HD12 ' A' ' 9' ' ' LEU . 60.0 t0 -114.86 111.23 20.89 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.56 1.162 . . . . 0.0 109.329 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 32.5 t-20 -60.68 120.89 10.93 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.586 1.178 . . . . 0.0 109.266 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 86.68 -16.65 44.69 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.536 1.147 . . . . 0.0 110.981 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 63.82 60.6 7.1 Favored Glycine 0 CA--C 1.53 1.002 0 N-CA-C 111.001 -0.84 . . . . 0.0 111.001 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 1.9 m -56.74 -42.42 79.24 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.512 0.772 . . . . 0.0 110.414 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 3.1 mt -69.43 -37.07 74.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.46 1.1 . . . . 0.0 109.317 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -68.09 -38.29 82.18 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.525 1.141 . . . . 0.0 109.288 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 6.1 mt-30 -80.58 -36.44 32.89 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.514 1.134 . . . . 0.0 110.319 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -60.53 -41.53 94.61 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.538 1.149 . . . . 0.0 109.949 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 18.5 mt -85.11 -20.07 30.9 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.555 1.159 . . . . 0.0 109.281 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 104' ' ' ASN . . . . . 0.438 ' ND2' ' O ' ' A' ' 104' ' ' ASN . 8.2 t30 67.37 53.24 0.76 Allowed 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.562 1.164 . . . . 0.0 109.305 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 105' ' ' ILE . . . . . 0.556 ' CD1' ' CE1' ' A' ' 31' ' ' PHE . 3.7 mt -87.24 -75.91 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.462 1.101 . . . . 0.0 109.258 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 1.2 m 58.98 26.63 15.28 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.547 1.155 . . . . 0.0 110.029 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 2.4 p -147.65 131.74 9.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.507 1.129 . . . . 0.0 109.292 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 108' ' ' TYR . . . . . 0.581 ' CE1' ' HB3' ' A' ' 31' ' ' PHE . 14.6 m-85 -131.55 151.87 79.44 Favored Pre-proline 0 C--N 1.324 -0.528 0 O-C-N 124.521 1.138 . . . . 0.0 110.98 -179.923 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 109' ' ' PRO . . . . . 0.504 ' C ' ' HA ' ' A' ' 108' ' ' TYR . 18.2 Cg_endo -75.05 171.33 68.68 Favored 'Cis proline' 0 C--N 1.362 1.24 0 C-N-CA 120.954 -2.519 . . . . 0.0 111.013 0.077 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -153.18 160.34 42.82 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.49 1.119 . . . . 0.0 109.96 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 111' ' ' TRP . . . . . 0.57 ' CE3' HD21 ' A' ' 28' ' ' LEU . 17.8 m95 -131.35 139.42 49.51 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 108.018 -1.104 . . . . 0.0 108.018 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -136.26 129.65 31.84 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.441 1.088 . . . . 0.0 109.286 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 113' ' ' LEU . . . . . 0.41 ' HB2' ' CD1' ' A' ' 28' ' ' LEU . 12.0 tp -110.24 134.06 52.61 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.504 1.128 . . . . 0.0 109.334 179.942 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 4.9 mm -118.29 121.81 68.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.552 1.157 . . . . 0.0 109.305 -179.939 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -47.51 167.77 0.1 OUTLIER Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.478 1.111 . . . . 0.0 110.961 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.17 -5.41 39.06 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.432 0.725 . . . . 0.0 109.324 179.953 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -93.98 -19.82 20.55 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.423 1.077 . . . . 0.0 109.254 -179.937 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . 99.27 27.68 8.04 Favored Glycine 0 CA--C 1.532 1.11 0 O-C-N 124.486 1.117 . . . . 0.0 110.995 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 3.8 p-10 -119.6 151.47 38.61 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.585 0.814 . . . . 0.0 109.301 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 42.6 t -52.79 116.4 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.535 1.147 . . . . 0.0 109.255 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 3.1 mm-40 -89.83 -61.43 1.69 Allowed 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.496 1.122 . . . . 0.0 110.353 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -158.34 140.02 13.69 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.444 1.09 . . . . 0.0 110.372 179.906 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 123' ' ' ILE . . . . . . . . . . . . . 15.0 tt -106.55 140.65 23.97 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.471 1.107 . . . . 0.0 109.303 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 3.8 t -129.52 133.11 65.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.505 1.128 . . . . 0.0 109.255 -179.933 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -109.26 116.58 32.16 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.488 1.118 . . . . 0.0 109.255 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . 119.27 164.62 12.8 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.555 1.159 . . . . 0.0 111.005 179.938 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -82.11 162.54 22.47 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.56 0.8 . . . . 0.0 109.912 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 128' ' ' ILE . . . . . 0.55 HG12 ' CE2' ' A' ' 111' ' ' TRP . 28.7 pt -139.37 168.25 18.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.469 1.106 . . . . 0.0 109.266 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 129' ' ' ASN . . . . . . . . . . . . . 3.8 p30 -106.19 169.22 8.63 Favored 'General case' 0 C--N 1.327 -0.406 0 O-C-N 124.53 1.144 . . . . 0.0 109.293 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 32.0 tt0 -50.4 -40.72 50.74 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.494 1.121 . . . . 0.0 110.219 -179.919 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -57.13 -51.72 68.16 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.52 1.137 . . . . 0.0 109.244 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 132' ' ' GLN . . . . . 0.461 ' CB ' ' HB ' ' A' ' 128' ' ' ILE . 0.0 OUTLIER -50.93 -45.87 60.68 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.489 1.118 . . . . 0.0 110.314 179.958 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 133' ' ' ALA . . . . . 0.566 ' HB2' ' CZ ' ' A' ' 55' ' ' PHE . . . -55.37 -48.1 74.79 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.503 1.127 . . . . 0.0 109.231 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 16.1 mt -58.82 -47.42 84.88 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.549 1.156 . . . . 0.0 109.267 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -56.24 -33.75 65.71 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.562 1.164 . . . . 0.0 109.282 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 136' ' ' LEU . . . . . 0.408 ' CD2' HD13 ' A' ' 28' ' ' LEU . 1.3 tp -67.65 -48.09 67.67 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.479 1.112 . . . . 0.0 109.368 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 137' ' ' ILE . . . . . . . . . . . . . 1.5 mp -70.67 -22.61 23.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.467 1.104 . . . . 0.0 109.287 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -80.18 -47.6 14.44 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.561 1.163 . . . . 0.0 110.327 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 33.3 t0 -150.2 125.82 4.95 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.62 1.2 . . . . 0.0 109.274 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.07 -14.45 20.98 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.55 1.816 . . . . 0.0 110.875 -179.914 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 141' ' ' ASN . . . . . . . . . . . . . 89.5 m-20 -77.01 -25.83 53.12 Favored 'General case' 0 C--N 1.323 -0.555 0 O-C-N 124.513 1.133 . . . . 0.0 109.284 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -76.7 92.58 3.55 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.527 1.142 . . . . 0.0 109.332 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 143' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 171.9 157.23 0.09 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.492 1.12 . . . . 0.0 109.322 179.94 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 7.7 mt . . . . . 0 C--N 1.325 -0.464 0 O-C-N 124.411 1.069 . . . . 0.0 109.321 179.972 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.547 ' O ' ' CG2' ' A' ' 2' ' ' VAL . 1.3 mpt? . . . . . 0 N--CA 1.453 -0.302 0 CA-C-O 120.514 0.197 . . . . 0.0 110.976 . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . 0.547 ' CG2' ' O ' ' A' ' 1' ' ' MET . 0.9 OUTLIER 162.13 -53.48 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.505 1.128 . . . . 0.0 109.305 -179.977 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . 0.488 ' CD ' ' N ' ' A' ' 2' ' ' VAL . 18.4 Cg_endo -75.07 -63.17 0.03 OUTLIER 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.398 1.736 . . . . 0.0 110.904 -179.954 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -61.16 -45.12 95.94 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.475 1.109 . . . . 0.0 109.626 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 1.5 m -52.76 -54.6 31.7 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.549 1.156 . . . . 0.0 110.399 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.411 ' O ' ' N ' ' A' ' 9' ' ' LEU . 1.1 tm? -66.89 -52.3 44.98 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.422 1.076 . . . . 0.0 109.39 179.937 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 55.2 m -52.89 -22.76 5.9 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.451 1.095 . . . . 0.0 110.015 179.943 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 3.3 m -83.57 -20.9 32.95 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.563 1.164 . . . . 0.0 110.479 179.942 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.42 HD13 ' CB ' ' A' ' 94' ' ' ASP . 3.9 mm? -74.85 124.99 27.87 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.482 1.114 . . . . 0.0 109.342 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 24.1 mttt -110.93 156.83 20.63 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.471 1.107 . . . . 0.0 109.253 -179.917 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 7.1 p -86.98 170.77 11.29 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.422 1.076 . . . . 0.0 110.41 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -60.04 -16.33 30.32 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.451 1.094 . . . . 0.0 109.257 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -93.22 21.03 6.31 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.499 1.124 . . . . 0.0 109.245 -179.932 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 51.71 31.71 8.38 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.529 1.143 . . . . 0.0 109.189 179.936 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -103.93 148.51 35.98 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.456 1.098 . . . . 0.0 110.236 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 133.7 16.88 Favored 'Trans proline' 0 C--N 1.361 1.205 0 O-C-N 124.39 1.732 . . . . 0.0 111.009 179.931 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -66.29 -13.81 61.04 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.477 1.111 . . . . 0.0 109.308 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' SER . . . . . 0.468 ' HA ' ' CD2' ' A' ' 21' ' ' LEU . 7.3 t -70.95 -18.72 62.62 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.507 1.129 . . . . 0.0 109.952 -179.904 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . 0.459 HG13 ' CE1' ' A' ' 20' ' ' TYR . 42.7 t -56.5 -32.85 37.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.522 1.139 . . . . 0.0 109.274 179.922 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . 0.459 ' CE1' HG13 ' A' ' 19' ' ' VAL . 42.7 m-85 -120.85 25.78 9.48 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.429 1.08 . . . . 0.0 111.007 -179.953 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.468 ' CD2' ' HA ' ' A' ' 18' ' ' SER . 0.2 OUTLIER -58.6 109.67 0.84 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.415 1.072 . . . . 0.0 109.215 -179.9 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . 0.54 ' CG ' ' O ' ' A' ' 25' ' ' LYS . 0.0 OUTLIER -51.48 92.8 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.456 1.098 . . . . 0.0 109.355 179.951 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.504 ' O ' ' CB ' ' A' ' 24' ' ' ASP . 1.6 mttt -66.57 70.15 0.07 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.496 1.123 . . . . 0.0 109.289 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . 0.504 ' CB ' ' O ' ' A' ' 23' ' ' LYS . 1.5 t70 82.51 38.69 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.441 1.088 . . . . 0.0 109.197 179.894 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.54 ' O ' ' CG ' ' A' ' 22' ' ' LYS . 4.1 mtpt -131.55 162.47 55.96 Favored Pre-proline 0 C--N 1.324 -0.532 0 O-C-N 124.581 1.176 . . . . 0.0 109.269 179.954 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 129.7 12.57 Favored 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.462 1.77 . . . . 0.0 111.023 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 24.0 m -112.32 141.41 46.07 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.478 1.111 . . . . 0.0 110.405 -179.934 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 33.1 tp -125.92 126.23 44.05 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.44 1.088 . . . . 0.0 109.326 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 9.2 mm -107.9 149.38 11.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.513 1.133 . . . . 0.0 109.34 179.943 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.566 ' HB2' ' CE3' ' A' ' 111' ' ' TRP . 0.4 OUTLIER -139.05 118.93 13.24 Favored 'General case' 0 C--N 1.326 -0.414 0 O-C-N 124.478 1.111 . . . . 0.0 109.274 -179.947 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . 0.563 ' HB3' ' CE1' ' A' ' 108' ' ' TYR . 45.4 m-85 -92.42 134.23 35.14 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.513 1.133 . . . . 0.0 111.102 179.885 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' TRP . . . . . 0.559 ' CZ3' HD11 ' A' ' 43' ' ' LEU . 9.0 p-90 -143.49 166.62 24.28 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.529 1.143 . . . . 0.0 108.031 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -130.13 153.86 48.08 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.537 1.148 . . . . 0.0 109.26 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 5.7 m -71.52 -33.4 69.15 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.423 1.077 . . . . 0.0 110.023 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 25.1 p-90 -71.87 -12.2 61.16 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 107.957 -1.127 . . . . 0.0 107.957 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 46.6 t -88.46 113.83 57.06 Favored Pre-proline 0 C--N 1.324 -0.514 0 O-C-N 124.511 1.132 . . . . 0.0 108.33 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.08 -51.76 0.11 Allowed 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.503 1.791 . . . . 0.0 111.028 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -49.68 -32.66 13.77 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.575 1.172 . . . . 0.0 109.305 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 1.8 m -74.97 -49.02 21.41 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.559 1.162 . . . . 0.0 108.343 179.946 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 6.1 mt -51.46 -42.89 61.92 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.634 1.209 . . . . 0.0 109.339 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.1 p -76.16 -25.46 55.28 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.538 1.149 . . . . 0.0 110.087 179.914 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 16.1 tt0 -81.27 -11.38 59.38 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.514 1.134 . . . . 0.0 110.316 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.559 HD11 ' CZ3' ' A' ' 32' ' ' TRP . 15.6 mt -55.92 -53.35 57.84 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.514 1.134 . . . . 0.0 109.282 -179.924 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -55.07 -45.99 79.73 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.484 1.115 . . . . 0.0 110.983 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -61.64 -33.51 74.07 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.519 0.776 . . . . 0.0 110.367 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 50.2 m -69.1 -36.75 77.89 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.469 1.106 . . . . 0.0 110.407 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . 0.423 ' HE2' ' N ' ' A' ' 89' ' ' LEU . 21.4 tt0 -68.45 -42.3 79.01 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.503 1.127 . . . . 0.0 110.228 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 7.8 tttp -64.57 -33.37 75.77 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.461 1.101 . . . . 0.0 109.322 -179.915 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' TRP . . . . . 0.503 ' CE3' ' CZ ' ' A' ' 55' ' ' PHE . 28.3 m0 -70.86 -34.3 71.5 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 107.976 -1.12 . . . . 0.0 107.976 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -77.45 -11.74 59.88 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.539 1.149 . . . . 0.0 109.337 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 1.6 mt-30 -101.72 -12.54 18.29 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.574 1.171 . . . . 0.0 110.365 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 53.3 t0 -73.1 130.11 39.57 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.561 1.163 . . . . 0.0 109.308 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -62.1 -34.64 76.71 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.572 1.17 . . . . 0.0 109.272 -179.944 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.09 -39.91 79.77 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.458 1.099 . . . . 0.0 109.317 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . 0.503 ' CZ ' ' CE3' ' A' ' 49' ' ' TRP . 1.6 m-85 -75.81 -27.37 57.91 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.535 1.147 . . . . 0.0 111.045 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' SER . . . . . 0.402 ' O ' ' C ' ' A' ' 57' ' ' SER . 0.2 OUTLIER -45.78 -43.03 12.78 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.541 1.151 . . . . 0.0 110.1 179.931 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' SER . . . . . 0.402 ' C ' ' O ' ' A' ' 56' ' ' SER . 2.7 m -38.9 -32.85 0.09 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.487 1.117 . . . . 0.0 109.92 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . 0.402 ' O ' ' O ' ' A' ' 55' ' ' PHE . . . -130.71 165.71 22.31 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.496 1.122 . . . . 0.0 109.347 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . 0.452 ' ND2' ' O ' ' A' ' 20' ' ' TYR . 3.1 m-20 -89.11 133.75 34.26 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.441 1.088 . . . . 0.0 109.33 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.473 ' C ' ' CD2' ' A' ' 60' ' ' LEU . 3.3 tt -124.87 125.76 44.47 Favored 'General case' 0 C--N 1.323 -0.568 0 O-C-N 124.584 1.178 . . . . 0.0 109.298 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . 0.435 ' CG2' ' O ' ' A' ' 60' ' ' LEU . 26.2 pt -153.75 160.35 2.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.462 1.101 . . . . 0.0 109.318 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' THR . . . . . 0.405 ' OG1' ' HA ' ' A' ' 91' ' ' VAL . 17.8 p -109.93 157.15 19.55 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.519 1.137 . . . . 0.0 110.455 179.935 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 2.8 t -128.37 144.24 38.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.522 1.139 . . . . 0.0 109.338 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . 0.653 ' CB ' ' CZ ' ' A' ' 77' ' ' PHE . . . -134.07 141.45 47.18 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.526 1.141 . . . . 0.0 109.276 179.924 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' SER . . . . . 0.409 ' CB ' ' HB3' ' A' ' 68' ' ' PHE . 77.6 p -117.95 108.74 42.06 Favored Pre-proline 0 C--N 1.326 -0.443 0 O-C-N 124.534 1.146 . . . . 0.0 109.923 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.0 137.84 22.25 Favored 'Trans proline' 0 C--N 1.361 1.209 0 O-C-N 124.448 1.762 . . . . 0.0 111.012 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 68.16 10.87 60.33 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.478 1.111 . . . . 0.0 111.077 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . 0.409 ' HB3' ' CB ' ' A' ' 65' ' ' SER . 47.9 t80 -122.39 124.94 44.82 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.608 0.828 . . . . 0.0 111.052 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER 76.23 33.71 0.54 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.43 1.081 . . . . 0.0 109.292 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 28.0 m170 65.73 12.75 8.52 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.418 1.074 . . . . 0.0 109.598 179.908 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . 0.4 ' O ' ' O ' ' A' ' 72' ' ' LYS . 14.9 tp10 -75.96 151.22 37.31 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.493 1.12 . . . . 0.0 110.29 -179.938 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . 0.4 ' O ' ' O ' ' A' ' 71' ' ' GLU . 9.1 mmtm -43.52 165.25 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.493 1.12 . . . . 0.0 109.313 179.922 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -96.53 155.44 16.77 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.5 1.125 . . . . 0.0 109.275 179.941 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -46.9 144.73 2.31 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.468 1.105 . . . . 0.0 109.32 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 87.54 -50.11 3.98 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.456 1.097 . . . . 0.0 111.051 -179.942 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -72.27 -32.0 66.26 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.552 0.795 . . . . 0.0 109.324 179.946 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' PHE . . . . . 0.653 ' CZ ' ' CB ' ' A' ' 64' ' ' ALA . 42.3 t80 -76.26 -57.25 3.98 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.486 1.116 . . . . 0.0 110.975 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 17.8 pt20 -50.97 -28.8 10.65 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.528 1.142 . . . . 0.0 110.282 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 2.2 mttt -74.45 -39.7 62.38 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.51 1.131 . . . . 0.0 109.295 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' TRP . . . . . . . . . . . . . 2.4 t90 -53.35 -52.44 59.2 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.499 1.124 . . . . 0.0 107.97 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' TYR . . . . . 0.515 ' C ' ' CD1' ' A' ' 81' ' ' TYR . 0.5 OUTLIER -62.92 -36.08 82.21 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.548 1.155 . . . . 0.0 111.031 179.996 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -63.46 -15.48 57.85 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.552 1.158 . . . . 0.0 109.3 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -102.98 -5.7 46.81 Favored Glycine 0 CA--C 1.531 1.063 0 O-C-N 124.549 1.156 . . . . 0.0 111.01 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 46.2 mt -87.91 165.72 15.05 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.551 0.795 . . . . 0.0 109.365 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -91.58 -166.53 1.58 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.515 1.135 . . . . 0.0 109.305 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 86' ' ' TYR . . . . . 0.402 ' N ' ' HD3' ' A' ' 87' ' ' PRO . 14.9 m-30 51.02 64.3 8.39 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.557 1.161 . . . . 0.0 110.918 179.939 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 87' ' ' PRO . . . . . 0.402 ' HD3' ' N ' ' A' ' 86' ' ' TYR . 18.4 Cg_endo -75.06 46.45 1.55 Allowed 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.534 1.808 . . . . 0.0 110.966 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -141.93 12.56 2.04 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.451 1.094 . . . . 0.0 109.334 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . 0.471 ' CD1' ' HD2' ' A' ' 90' ' ' PRO . 0.1 OUTLIER -99.1 135.73 20.73 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.535 1.147 . . . . 0.0 109.288 -179.939 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 90' ' ' PRO . . . . . 0.471 ' HD2' ' CD1' ' A' ' 89' ' ' LEU . 18.1 Cg_endo -75.1 126.86 10.18 Favored 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.41 1.742 . . . . 0.0 110.929 -179.94 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . 0.405 ' HA ' ' OG1' ' A' ' 62' ' ' THR . 13.9 t -141.69 118.39 7.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.52 1.138 . . . . 0.0 109.302 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . 0.45 ' O ' ' N ' ' A' ' 64' ' ' ALA . 44.8 t -111.58 137.82 42.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.557 1.16 . . . . 0.0 109.317 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 93' ' ' THR . . . . . 0.519 HG21 ' CD1' ' A' ' 77' ' ' PHE . 5.7 p -117.53 119.17 34.21 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.5 1.125 . . . . 0.0 110.406 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . 0.42 ' CB ' HD13 ' A' ' 9' ' ' LEU . 62.7 t0 -114.77 111.02 20.6 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.481 1.113 . . . . 0.0 109.286 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 5.6 m120 -60.94 115.94 4.09 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.602 1.189 . . . . 0.0 109.237 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 87.0 -18.44 35.78 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.423 1.077 . . . . 0.0 110.954 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 97' ' ' GLY . . . . . 0.415 ' O ' ' N ' ' A' ' 101' ' ' GLN . . . 64.44 71.61 0.83 Allowed Glycine 0 CA--C 1.53 1.004 0 N-CA-C 110.955 -0.858 . . . . 0.0 110.955 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 1.4 m -62.04 -51.87 66.26 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.49 0.759 . . . . 0.0 110.353 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 2.7 mp -64.43 -33.39 62.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.463 1.102 . . . . 0.0 109.316 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -74.29 -34.11 63.43 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.424 1.077 . . . . 0.0 109.32 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 101' ' ' GLN . . . . . 0.415 ' N ' ' O ' ' A' ' 97' ' ' GLY . 0.0 OUTLIER -80.1 -40.19 28.03 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.5 1.125 . . . . 0.0 110.345 179.947 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -60.59 -31.3 70.46 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.511 1.132 . . . . 0.0 110.008 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . 0.472 ' HB3' ' CD1' ' A' ' 123' ' ' ILE . 20.3 mt -98.66 -11.42 22.05 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.552 1.158 . . . . 0.0 109.309 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 51.1 t30 62.93 58.02 1.57 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.51 1.131 . . . . 0.0 109.297 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 105' ' ' ILE . . . . . 0.492 HD11 ' CZ ' ' A' ' 31' ' ' PHE . 4.5 mt -100.04 104.9 16.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.482 1.114 . . . . 0.0 109.37 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -121.6 24.2 9.91 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.483 1.115 . . . . 0.0 109.966 -179.881 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 2.0 p -135.4 132.61 52.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.422 1.076 . . . . 0.0 109.273 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 108' ' ' TYR . . . . . 0.563 ' CE1' ' HB3' ' A' ' 31' ' ' PHE . 20.7 m-85 -130.61 152.31 80.2 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.505 1.128 . . . . 0.0 111.052 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 109' ' ' PRO . . . . . 0.512 ' C ' ' HA ' ' A' ' 108' ' ' TYR . 18.4 Cg_endo -74.98 161.25 95.23 Favored 'Cis proline' 0 C--N 1.359 1.112 0 C-N-CA 120.978 -2.509 . . . . 0.0 110.957 0.002 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -133.88 158.05 44.4 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.459 1.099 . . . . 0.0 110.037 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 111' ' ' TRP . . . . . 0.566 ' CE3' ' HB2' ' A' ' 30' ' ' LYS . 94.5 m95 -132.43 140.6 48.5 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.572 1.17 . . . . 0.0 108.055 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -126.21 135.46 51.64 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.531 1.145 . . . . 0.0 109.251 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 113' ' ' LEU . . . . . 0.41 ' CD2' ' HG2' ' A' ' 121' ' ' GLN . 20.0 tp -109.18 130.45 55.49 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.545 1.153 . . . . 0.0 109.324 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 7.4 mm -122.63 113.97 40.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.453 1.096 . . . . 0.0 109.309 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 115' ' ' GLY . . . . . 0.432 ' N ' ' O ' ' A' ' 119' ' ' ASP . . . -41.82 164.35 0.02 OUTLIER Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.518 1.136 . . . . 0.0 111.02 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -67.5 -26.59 66.42 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.526 0.78 . . . . 0.0 109.34 179.949 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -71.68 -9.63 58.56 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.467 1.104 . . . . 0.0 109.254 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . 86.52 35.83 10.14 Favored Glycine 0 CA--C 1.529 0.945 0 O-C-N 124.539 1.149 . . . . 0.0 110.994 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 119' ' ' ASP . . . . . 0.432 ' O ' ' N ' ' A' ' 115' ' ' GLY . 1.9 p30 -127.65 148.26 50.38 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.547 0.792 . . . . 0.0 109.385 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 92.7 t -50.08 118.98 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 O-C-N 124.444 1.09 . . . . 0.0 109.239 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 121' ' ' GLN . . . . . 0.42 ' HB2' ' N ' ' A' ' 115' ' ' GLY . 0.7 OUTLIER -93.14 -62.26 1.41 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.567 1.167 . . . . 0.0 110.372 179.866 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -158.33 158.27 34.02 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.457 1.098 . . . . 0.0 110.323 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 123' ' ' ILE . . . . . 0.472 ' CD1' ' HB3' ' A' ' 103' ' ' LEU . 5.3 tt -110.65 134.37 53.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.507 1.129 . . . . 0.0 109.262 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 79.6 t -123.91 115.93 46.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.484 1.115 . . . . 0.0 109.259 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 21.8 mtmt -107.05 114.73 28.98 Favored 'General case' 0 C--N 1.327 -0.412 0 O-C-N 124.541 1.151 . . . . 0.0 109.318 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . 141.56 -154.07 24.48 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.539 1.149 . . . . 0.0 110.939 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -123.39 144.36 49.53 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.527 0.78 . . . . 0.0 109.987 -179.945 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 128' ' ' ILE . . . . . . . . . . . . . 12.7 pt -129.18 162.2 37.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.463 1.102 . . . . 0.0 109.278 -179.933 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 129' ' ' ASN . . . . . . . . . . . . . 2.2 p30 -110.29 168.42 9.46 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.484 1.115 . . . . 0.0 109.358 179.887 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 130' ' ' GLU . . . . . 0.502 ' N ' ' CZ2' ' A' ' 49' ' ' TRP . 20.1 tt0 -57.59 -22.93 48.03 Favored 'General case' 0 C--N 1.327 -0.406 0 O-C-N 124.473 1.108 . . . . 0.0 110.353 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -68.87 -54.16 17.22 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.545 1.153 . . . . 0.0 109.284 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 4.6 mt-30 -50.67 -48.62 58.36 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.485 1.115 . . . . 0.0 110.288 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -50.2 -52.66 33.87 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.476 1.11 . . . . 0.0 109.324 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 134' ' ' LEU . . . . . 0.408 ' O ' ' N ' ' A' ' 138' ' ' ARG . 3.6 mt -53.89 -41.03 67.14 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.471 1.107 . . . . 0.0 109.364 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -57.78 -23.44 52.31 Favored 'General case' 0 C--N 1.327 -0.398 0 O-C-N 124.52 1.137 . . . . 0.0 109.32 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 136' ' ' LEU . . . . . 0.451 ' HA ' ' CB ' ' A' ' 142' ' ' ALA . 22.1 mt -74.58 -42.58 58.47 Favored 'General case' 0 C--N 1.327 -0.397 0 O-C-N 124.44 1.087 . . . . 0.0 109.225 -179.926 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 137' ' ' ILE . . . . . . . . . . . . . 2.9 mt -82.92 -19.02 10.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.525 1.141 . . . . 0.0 109.291 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 138' ' ' ARG . . . . . 0.408 ' N ' ' O ' ' A' ' 134' ' ' LEU . 0.0 OUTLIER -79.74 -47.76 14.75 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.5 1.125 . . . . 0.0 110.321 179.99 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 139' ' ' ASP . . . . . 0.458 ' HB3' ' CB ' ' A' ' 142' ' ' ALA . 2.4 t70 -90.74 137.65 26.87 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.466 1.104 . . . . 0.0 109.29 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 -28.29 9.38 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.548 1.815 . . . . 0.0 111.067 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 141' ' ' ASN . . . . . . . . . . . . . 73.0 m-20 -81.53 -12.48 58.8 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.631 1.207 . . . . 0.0 109.223 -179.935 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 142' ' ' ALA . . . . . 0.458 ' CB ' ' HB3' ' A' ' 139' ' ' ASP . . . -96.6 65.25 2.22 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.5 1.125 . . . . 0.0 109.332 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 143' ' ' ASP . . . . . . . . . . . . . 30.5 t70 60.99 149.52 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.482 1.114 . . . . 0.0 109.322 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.325 -0.495 0 O-C-N 124.536 1.148 . . . . 0.0 109.291 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.329 0 CA-C-O 120.582 0.23 . . . . 0.0 110.997 . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 31.5 m -132.21 67.03 78.58 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.369 1.043 . . . . 0.0 109.294 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 -48.75 0.17 Allowed 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.399 1.736 . . . . 0.0 111.027 179.942 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . 0.485 ' O ' ' CB ' ' A' ' 8' ' ' THR . 5.4 p80 -51.28 -35.36 37.15 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.435 1.084 . . . . 0.0 109.576 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' THR . . . . . 0.471 ' O ' ' CD2' ' A' ' 9' ' ' LEU . 3.1 m -68.29 -49.04 63.22 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.525 1.141 . . . . 0.0 110.408 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 4.3 tp -63.81 -41.2 97.93 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.509 1.13 . . . . 0.0 109.228 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 5.5 m -75.38 -22.67 57.31 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.445 1.09 . . . . 0.0 109.977 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' THR . . . . . 0.485 ' CB ' ' O ' ' A' ' 4' ' ' HIS . 1.0 OUTLIER -70.93 -21.78 62.31 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.464 1.103 . . . . 0.0 110.398 -179.955 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.471 ' CD2' ' O ' ' A' ' 5' ' ' THR . 3.9 mm? -55.06 138.32 44.38 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.561 1.163 . . . . 0.0 109.22 -179.912 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -122.54 142.55 50.49 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.48 1.113 . . . . 0.0 109.249 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 76.6 p -84.57 168.26 15.54 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.406 1.066 . . . . 0.0 110.465 179.939 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . 0.551 ' HB2' ' CD1' ' A' ' 81' ' ' TYR . . . -56.49 -18.76 12.53 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.521 1.138 . . . . 0.0 109.276 179.951 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -91.92 13.35 18.8 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.399 1.062 . . . . 0.0 109.314 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 58.83 27.87 16.68 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.533 1.146 . . . . 0.0 109.234 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -98.25 155.85 36.47 Favored Pre-proline 0 C--N 1.326 -0.444 0 O-C-N 124.543 1.152 . . . . 0.0 110.304 179.92 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . 0.5 ' O ' ' CG2' ' A' ' 19' ' ' VAL . 18.1 Cg_endo -75.09 127.22 10.45 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.554 1.818 . . . . 0.0 111.005 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -47.55 -28.01 2.07 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 0.0 109.262 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -55.75 -18.95 9.47 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.554 1.159 . . . . 0.0 110.004 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . 0.5 ' CG2' ' O ' ' A' ' 16' ' ' PRO . 3.6 m -48.33 -45.24 13.54 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.396 1.06 . . . . 0.0 109.269 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 11.8 m-85 -112.53 24.32 12.62 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.577 1.173 . . . . 0.0 110.958 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.511 ' O ' ' CB ' ' A' ' 22' ' ' LYS . 0.2 OUTLIER -134.64 102.66 5.36 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.434 1.084 . . . . 0.0 109.318 179.996 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . 0.511 ' CB ' ' O ' ' A' ' 21' ' ' LEU . 0.1 OUTLIER 163.39 -171.64 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.512 1.133 . . . . 0.0 109.309 179.946 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 66.88 25.73 9.44 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.437 1.086 . . . . 0.0 109.353 -179.936 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 43.16 36.54 1.01 Allowed 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.466 1.104 . . . . 0.0 109.302 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 1.9 mttt -105.96 162.19 20.47 Favored Pre-proline 0 C--N 1.324 -0.519 0 O-C-N 124.471 1.107 . . . . 0.0 109.244 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 145.49 31.43 Favored 'Trans proline' 0 C--N 1.361 1.205 0 O-C-N 124.378 1.725 . . . . 0.0 110.979 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 20.3 m -117.18 142.47 46.99 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.456 1.098 . . . . 0.0 110.364 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 10.9 tp -124.34 127.69 47.98 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.506 1.128 . . . . 0.0 109.366 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . 0.451 ' CG2' ' HB ' ' A' ' 63' ' ' VAL . 2.0 mt -108.94 149.83 11.97 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.543 1.152 . . . . 0.0 109.304 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.448 ' HG3' ' CZ2' ' A' ' 111' ' ' TRP . 2.6 tmtt? -138.77 110.73 7.24 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.456 1.097 . . . . 0.0 109.265 -179.955 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . 0.573 ' HB3' ' CE1' ' A' ' 108' ' ' TYR . 55.3 m-85 -82.49 126.01 31.75 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.465 1.103 . . . . 0.0 110.982 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' TRP . . . . . 0.544 ' CD1' ' HB ' ' A' ' 62' ' ' THR . 5.1 p-90 -130.21 167.48 18.35 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.564 1.165 . . . . 0.0 107.917 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . 0.553 ' CB ' ' CE2' ' A' ' 35' ' ' TRP . . . -136.49 126.77 26.47 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.467 1.104 . . . . 0.0 109.254 179.945 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -54.46 -27.39 37.14 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.464 1.102 . . . . 0.0 110.061 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' TRP . . . . . 0.553 ' CE2' ' CB ' ' A' ' 33' ' ' ALA . 21.9 p-90 -77.37 -23.8 50.73 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 107.979 -1.119 . . . . 0.0 107.979 179.943 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . 0.415 ' N ' ' O ' ' A' ' 33' ' ' ALA . 42.8 t -75.5 115.03 41.82 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.483 1.115 . . . . 0.0 108.336 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -33.62 4.45 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.519 1.799 . . . . 0.0 111.01 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -65.49 -35.08 79.84 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.511 1.132 . . . . 0.0 109.269 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . 0.444 ' O ' ' N ' ' A' ' 43' ' ' LEU . 47.2 m -69.11 -48.31 62.87 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.59 1.181 . . . . 0.0 108.269 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 73.8 mt -51.46 -47.88 62.98 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.533 1.146 . . . . 0.0 109.385 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.1 p -68.52 -25.23 64.84 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.536 1.148 . . . . 0.0 110.013 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -82.56 -26.5 32.35 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.493 1.121 . . . . 0.0 110.238 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.444 ' N ' ' O ' ' A' ' 39' ' ' CYS . 48.9 mt -44.08 -52.89 6.83 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.454 1.096 . . . . 0.0 109.364 179.899 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -57.87 -48.63 80.97 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.425 1.078 . . . . 0.0 110.967 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . 0.424 ' CD ' ' CZ2' ' A' ' 49' ' ' TRP . 36.4 tt0 -61.75 -31.22 71.39 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.454 0.738 . . . . 0.0 110.28 -179.944 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 28.0 m -69.43 -34.6 74.68 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.469 1.106 . . . . 0.0 110.384 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -68.25 -41.84 80.56 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.122 . . . . 0.0 110.279 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 7.1 tttm -68.9 -35.37 76.77 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.464 1.103 . . . . 0.0 109.391 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' TRP . . . . . 0.424 ' CZ2' ' CD ' ' A' ' 45' ' ' GLN . 44.2 m0 -72.19 -31.98 66.39 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.464 1.102 . . . . 0.0 108.086 179.849 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -76.75 -9.4 58.65 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.485 1.115 . . . . 0.0 109.29 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 2.1 mm-40 -104.91 -14.59 15.42 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.48 1.112 . . . . 0.0 110.211 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . 0.426 ' OD1' ' N ' ' A' ' 54' ' ' LYS . 24.1 t0 -65.18 128.59 36.43 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.482 1.114 . . . . 0.0 109.383 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -54.4 -47.87 72.23 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.458 1.099 . . . . 0.0 109.346 -179.918 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . 0.426 ' N ' ' OD1' ' A' ' 52' ' ' ASP . 3.3 mmmt -48.94 -38.42 22.84 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.467 1.105 . . . . 0.0 109.341 179.947 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . 0.57 ' CZ ' ' HB1' ' A' ' 133' ' ' ALA . 1.1 m-85 -76.53 -30.41 57.12 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.484 1.115 . . . . 0.0 111.061 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 1.4 t -46.53 -40.0 11.87 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.455 1.097 . . . . 0.0 109.983 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 70.0 m -39.43 -60.23 0.97 Allowed 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.427 1.079 . . . . 0.0 109.97 -179.95 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -102.87 165.6 10.95 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.535 1.147 . . . . 0.0 109.364 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 67.8 m-20 -89.13 130.85 35.5 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.452 1.095 . . . . 0.0 109.281 179.936 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.542 HD13 ' CD1' ' A' ' 55' ' ' PHE . 3.5 tt -119.69 126.04 50.14 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.461 1.101 . . . . 0.0 109.333 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . 0.427 ' CD1' HG21 ' A' ' 92' ' ' VAL . 9.4 pt -152.77 160.25 3.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.528 1.142 . . . . 0.0 109.404 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' THR . . . . . 0.544 ' HB ' ' CD1' ' A' ' 32' ' ' TRP . 30.4 p -109.61 153.55 24.03 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.493 1.121 . . . . 0.0 110.376 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . 0.451 ' HB ' ' CG2' ' A' ' 29' ' ' ILE . 1.2 t -125.13 144.73 34.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.554 1.159 . . . . 0.0 109.294 -179.953 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . 0.591 ' CB ' ' CZ ' ' A' ' 77' ' ' PHE . . . -134.53 138.22 44.48 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.562 1.164 . . . . 0.0 109.317 -179.933 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' SER . . . . . 0.406 ' CB ' ' HB3' ' A' ' 68' ' ' PHE . 1.8 m -110.89 107.83 57.8 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.478 1.111 . . . . 0.0 109.976 -179.909 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.95 134.03 17.39 Favored 'Trans proline' 0 C--N 1.358 1.074 0 O-C-N 124.529 1.805 . . . . 0.0 111.014 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 69.31 5.84 50.99 Favored Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.509 1.131 . . . . 0.0 110.941 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . 0.406 ' HB3' ' CB ' ' A' ' 65' ' ' SER . 73.1 t80 -127.94 135.01 49.36 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.55 0.794 . . . . 0.0 110.975 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER 74.79 25.76 1.44 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.374 1.046 . . . . 0.0 109.288 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 28.5 m170 63.26 22.41 13.32 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.438 1.086 . . . . 0.0 109.547 179.908 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . 0.411 ' OE2' ' CD1' ' A' ' 35' ' ' TRP . 0.2 OUTLIER -86.83 149.6 24.72 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.461 1.101 . . . . 0.0 110.303 -179.99 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . 0.401 ' C ' ' O ' ' A' ' 71' ' ' GLU . 3.2 mmpt? -39.78 153.97 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.482 1.114 . . . . 0.0 109.314 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 5.1 tttt -83.04 152.79 25.23 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.46 1.1 . . . . 0.0 109.304 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -48.54 152.32 0.96 Allowed 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.531 1.145 . . . . 0.0 109.35 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 79.83 -51.8 4.1 Favored Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.543 1.152 . . . . 0.0 110.98 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -71.52 -29.19 64.5 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.483 0.755 . . . . 0.0 109.301 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' PHE . . . . . 0.596 ' CE1' ' CG2' ' A' ' 93' ' ' THR . 16.8 t80 -77.66 -57.05 4.02 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.525 1.141 . . . . 0.0 110.957 -179.948 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 16.2 pt20 -51.0 -27.99 8.96 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.485 1.116 . . . . 0.0 110.294 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 3.4 mtmt -74.89 -39.46 61.47 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.556 1.16 . . . . 0.0 109.294 -179.919 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' TRP . . . . . . . . . . . . . 2.5 t90 -53.71 -50.81 65.09 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.554 1.159 . . . . 0.0 107.947 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' TYR . . . . . 0.551 ' CD1' ' HB2' ' A' ' 12' ' ' ALA . 0.6 OUTLIER -61.99 -33.15 73.8 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.504 1.127 . . . . 0.0 110.947 -179.878 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -67.11 -15.43 63.71 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.488 1.117 . . . . 0.0 109.245 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -107.79 15.9 37.18 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.497 1.123 . . . . 0.0 111.084 179.924 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 73.3 mt -114.68 165.07 13.19 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.476 0.75 . . . . 0.0 109.243 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 16.4 t30 -86.99 -164.18 1.03 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.443 1.089 . . . . 0.0 109.289 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 86' ' ' TYR . . . . . 0.442 ' CD1' ' N ' ' A' ' 86' ' ' TYR . 1.6 m-85 56.86 79.93 0.31 Allowed Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.492 1.12 . . . . 0.0 111.023 -179.955 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -3.32 13.75 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.45 1.763 . . . . 0.0 110.946 -179.921 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -105.36 15.26 27.54 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.459 1.099 . . . . 0.0 109.273 -179.907 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -91.21 120.57 68.45 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.562 1.164 . . . . 0.0 109.335 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 127.0 10.37 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.484 1.781 . . . . 0.0 111.007 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 38.2 t -140.32 125.06 19.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.513 1.133 . . . . 0.0 109.297 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . 0.427 HG21 ' CD1' ' A' ' 61' ' ' ILE . 30.4 t -123.16 134.98 64.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.467 1.105 . . . . 0.0 109.3 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 93' ' ' THR . . . . . 0.596 ' CG2' ' CE1' ' A' ' 77' ' ' PHE . 2.0 p -112.69 117.54 32.52 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.463 1.102 . . . . 0.0 110.468 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . 0.433 ' CB ' HD11 ' A' ' 9' ' ' LEU . 62.3 t0 -115.0 111.52 21.26 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.561 1.163 . . . . 0.0 109.312 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 11.8 t-20 -58.91 118.8 6.18 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.429 1.081 . . . . 0.0 109.331 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 86.7 -16.56 45.32 Favored Glycine 0 CA--C 1.529 0.93 0 O-C-N 124.484 1.115 . . . . 0.0 111.081 -179.947 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 67.12 58.96 7.37 Favored Glycine 0 CA--C 1.53 1.026 0 N-CA-C 110.991 -0.844 . . . . 0.0 110.991 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 98' ' ' THR . . . . . 0.432 ' O ' ' CB ' ' A' ' 102' ' ' SER . 15.6 m -53.05 -32.09 45.03 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.491 0.76 . . . . 0.0 110.351 -179.951 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 99' ' ' ILE . . . . . 0.497 ' CD1' ' N ' ' A' ' 99' ' ' ILE . 1.1 mm -73.55 -36.45 47.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.616 1.198 . . . . 0.0 109.258 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . 0.404 ' O ' ' N ' ' A' ' 105' ' ' ILE . . . -77.05 -40.21 47.15 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.571 1.169 . . . . 0.0 109.297 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 2.6 tt0 -73.36 -32.55 64.58 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.485 1.116 . . . . 0.0 110.226 -179.94 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 102' ' ' SER . . . . . 0.432 ' CB ' ' O ' ' A' ' 98' ' ' THR . 30.6 t -68.04 -34.6 76.78 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.435 1.085 . . . . 0.0 109.956 -179.95 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . 0.441 ' HB3' ' CD1' ' A' ' 123' ' ' ILE . 15.2 mt -109.37 13.39 24.21 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.545 1.153 . . . . 0.0 109.265 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 12.3 t30 40.92 73.12 0.13 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.453 1.096 . . . . 0.0 109.304 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 105' ' ' ILE . . . . . 0.444 ' CD1' HD11 ' A' ' 123' ' ' ILE . 61.6 mt -110.65 133.05 57.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.4 1.062 . . . . 0.0 109.371 179.919 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 13.1 p -146.43 33.91 0.96 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.46 1.1 . . . . 0.0 110.011 -179.924 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 2.0 p -147.17 132.33 11.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.548 1.155 . . . . 0.0 109.357 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 108' ' ' TYR . . . . . 0.573 ' CE1' ' HB3' ' A' ' 31' ' ' PHE . 23.0 m-85 -131.03 152.73 81.19 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.499 1.124 . . . . 0.0 111.016 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 109' ' ' PRO . . . . . 0.505 ' C ' ' HA ' ' A' ' 108' ' ' TYR . 18.3 Cg_endo -75.09 157.98 99.18 Favored 'Cis proline' 0 C--N 1.359 1.115 0 C-N-CA 121.04 -2.483 . . . . 0.0 110.979 0.104 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -130.71 161.0 32.63 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.54 1.15 . . . . 0.0 110.055 -180.0 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 111' ' ' TRP . . . . . 0.448 ' CZ2' ' HG3' ' A' ' 30' ' ' LYS . 76.1 m95 -135.64 139.65 43.93 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 108.016 -1.105 . . . . 0.0 108.016 179.941 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -131.19 132.23 44.56 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.379 1.049 . . . . 0.0 109.236 -179.947 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 16.6 tp -108.3 126.83 53.28 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.52 1.138 . . . . 0.0 109.285 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 114' ' ' ILE . . . . . 0.427 ' CG2' ' HA2' ' A' ' 118' ' ' GLY . 1.7 mp -113.72 132.8 61.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.508 1.13 . . . . 0.0 109.278 179.941 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 115' ' ' GLY . . . . . 0.417 ' N ' ' HB2' ' A' ' 121' ' ' GLN . . . -52.41 169.67 0.62 Allowed Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.489 1.118 . . . . 0.0 111.016 179.961 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.18 -13.76 62.6 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.565 0.803 . . . . 0.0 109.309 -179.944 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -85.85 -17.57 35.25 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.511 1.132 . . . . 0.0 109.28 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 118' ' ' GLY . . . . . 0.427 ' HA2' ' CG2' ' A' ' 114' ' ' ILE . . . 96.89 32.7 6.38 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.606 1.191 . . . . 0.0 110.982 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -124.72 142.37 51.44 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.557 0.798 . . . . 0.0 109.367 179.922 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 75.1 t -44.69 118.56 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.444 1.09 . . . . 0.0 109.353 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 121' ' ' GLN . . . . . 0.417 ' HB2' ' N ' ' A' ' 115' ' ' GLY . 3.0 tt0 -98.98 -57.54 2.15 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.534 1.147 . . . . 0.0 110.237 -179.912 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -147.83 140.68 24.81 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.533 1.146 . . . . 0.0 110.337 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 123' ' ' ILE . . . . . 0.444 HD11 ' CD1' ' A' ' 105' ' ' ILE . 0.9 OUTLIER -105.38 134.0 48.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.479 1.112 . . . . 0.0 109.261 -179.928 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 97.5 t -124.47 130.39 73.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.411 1.069 . . . . 0.0 109.275 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 28.6 mttt -117.17 119.4 35.11 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.535 1.147 . . . . 0.0 109.227 -179.945 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . 126.33 -171.77 18.07 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.484 1.115 . . . . 0.0 110.972 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 3.6 m -103.1 135.92 43.87 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.562 0.801 . . . . 0.0 110.045 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 128' ' ' ILE . . . . . . . . . . . . . 18.5 pt -114.96 162.83 12.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.463 1.102 . . . . 0.0 109.331 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 129' ' ' ASN . . . . . . . . . . . . . 3.0 p30 -108.16 168.62 9.17 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.57 1.168 . . . . 0.0 109.33 179.938 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 27.0 tt0 -49.82 -41.64 45.35 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.545 1.153 . . . . 0.0 110.254 -179.919 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -55.43 -53.46 56.04 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.528 1.143 . . . . 0.0 109.278 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -50.91 -45.5 60.31 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.449 1.093 . . . . 0.0 110.354 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 133' ' ' ALA . . . . . 0.57 ' HB1' ' CZ ' ' A' ' 55' ' ' PHE . . . -51.38 -45.71 62.53 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.567 1.167 . . . . 0.0 109.332 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 134' ' ' LEU . . . . . 0.402 ' CD2' ' HB3' ' A' ' 54' ' ' LYS . 25.5 mt -68.73 -52.68 28.03 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.447 1.092 . . . . 0.0 109.236 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -52.86 -23.54 7.25 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.539 1.149 . . . . 0.0 109.214 -179.914 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -76.4 -48.56 19.37 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.531 1.145 . . . . 0.0 109.278 -179.953 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 137' ' ' ILE . . . . . . . . . . . . . 5.8 mt -70.29 -23.4 24.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.417 1.073 . . . . 0.0 109.258 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -81.5 -47.51 13.04 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.491 1.119 . . . . 0.0 110.338 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 12.7 t0 -154.86 123.76 3.06 Favored Pre-proline 0 C--N 1.324 -0.526 0 O-C-N 124.58 1.175 . . . . 0.0 109.349 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 -13.7 21.4 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.517 1.798 . . . . 0.0 110.969 -179.941 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 141' ' ' ASN . . . . . . . . . . . . . 67.3 m-80 -78.69 -27.31 45.05 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.443 1.09 . . . . 0.0 109.337 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -56.19 107.71 0.39 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.459 1.1 . . . . 0.0 109.235 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 143' ' ' ASP . . . . . 0.452 ' O ' ' C ' ' A' ' 144' ' ' LEU . 2.0 t70 -108.9 155.27 21.02 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.52 1.137 . . . . 0.0 109.3 179.934 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 144' ' ' LEU . . . . . 0.452 ' C ' ' O ' ' A' ' 143' ' ' ASP . 4.0 pp . . . . . 0 C--N 1.324 -0.507 0 O-C-N 124.485 1.115 . . . . 0.0 109.275 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.71 HD11 ' CD1' ' A' ' 99' ' ' ILE . 20.8 mt . . . . . 0 N--CA 1.452 -0.33 0 N-CA-C 109.372 -0.603 . . . . 0.0 109.372 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 10' ' ' LYS . . . . . 0.412 ' HA ' ' O ' ' A' ' 15' ' ' ARG . 0.4 OUTLIER -133.96 149.02 51.23 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.472 1.108 . . . . 0.0 109.26 -179.921 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 11' ' ' THR . . . . . 0.565 HG22 HG22 ' A' ' 92' ' ' VAL . 10.1 p -92.68 177.47 6.09 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.57 1.168 . . . . 0.0 110.454 179.932 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -66.26 -11.44 50.31 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.486 1.116 . . . . 0.0 109.302 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -98.77 20.47 13.0 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.456 1.098 . . . . 0.0 109.309 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 51.57 30.05 6.11 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.48 1.113 . . . . 0.0 109.291 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 15' ' ' ARG . . . . . 0.412 ' O ' ' HA ' ' A' ' 10' ' ' LYS . 19.7 mtp180 -102.07 153.64 37.89 Favored Pre-proline 0 C--N 1.324 -0.525 0 O-C-N 124.56 1.163 . . . . 0.0 110.247 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.92 130.07 13.01 Favored 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.474 1.776 . . . . 0.0 111.037 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -65.01 -14.51 60.59 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.543 1.152 . . . . 0.0 109.277 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' SER . . . . . 0.401 ' O ' ' N ' ' A' ' 21' ' ' LEU . 55.6 p -61.39 -40.32 93.91 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.481 1.113 . . . . 0.0 110.035 -179.947 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 27.2 t -53.33 -23.06 6.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.561 1.163 . . . . 0.0 109.321 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' TYR . . . . . 0.416 ' CZ ' ' HB3' ' A' ' 90' ' ' PRO . 14.8 m-85 -101.88 23.0 12.04 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.373 1.045 . . . . 0.0 110.979 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.496 ' O ' ' CB ' ' A' ' 22' ' ' LYS . 0.2 OUTLIER -151.53 115.24 4.89 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.44 1.087 . . . . 0.0 109.312 179.975 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 22' ' ' LYS . . . . . 0.496 ' CB ' ' O ' ' A' ' 21' ' ' LEU . 0.0 OUTLIER 164.27 -178.14 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.518 1.136 . . . . 0.0 109.31 -179.974 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 66.06 26.31 10.77 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.451 1.095 . . . . 0.0 109.244 179.948 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 67.6 m-20 40.43 39.19 0.67 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.608 1.193 . . . . 0.0 109.3 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 1.2 mttp -103.34 160.61 25.61 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.461 1.101 . . . . 0.0 109.346 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 154.45 42.81 Favored 'Trans proline' 0 C--N 1.361 1.217 0 O-C-N 124.423 1.749 . . . . 0.0 110.967 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' THR . . . . . 0.545 HG23 ' HB2' ' A' ' 59' ' ' ASN . 40.2 m -129.8 141.12 50.9 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.46 1.1 . . . . 0.0 110.353 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 16.5 tp -125.32 129.99 51.07 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.425 1.078 . . . . 0.0 109.272 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.443 HG23 HG23 ' A' ' 63' ' ' VAL . 12.5 mt -110.4 148.22 14.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.473 1.108 . . . . 0.0 109.279 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.563 ' HB2' ' CE3' ' A' ' 111' ' ' TRP . 3.6 tptp -138.35 115.44 10.94 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.55 1.157 . . . . 0.0 109.306 179.943 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 31' ' ' PHE . . . . . 0.593 ' HB3' ' CE1' ' A' ' 108' ' ' TYR . 61.4 m-85 -86.21 137.3 32.74 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.541 1.15 . . . . 0.0 110.993 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 32' ' ' TRP . . . . . 0.565 ' CZ3' HD11 ' A' ' 43' ' ' LEU . 16.7 p-90 -141.07 171.54 13.92 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.519 1.137 . . . . 0.0 108.025 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 33' ' ' ALA . . . . . 0.439 ' HB1' ' CE2' ' A' ' 35' ' ' TRP . . . -138.88 146.02 40.65 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.544 1.152 . . . . 0.0 109.265 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 34' ' ' SER . . . . . 0.568 ' HB3' ' CZ3' ' A' ' 80' ' ' TRP . 0.3 OUTLIER -69.06 -38.7 79.22 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.5 1.125 . . . . 0.0 110.023 -179.949 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 35' ' ' TRP . . . . . 0.439 ' CE2' ' HB1' ' A' ' 33' ' ' ALA . 14.0 p-90 -69.13 -10.09 55.97 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.526 1.141 . . . . 0.0 107.971 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 43.1 t -94.55 114.99 64.79 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.447 1.092 . . . . 0.0 108.195 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.0 -50.61 0.13 Allowed 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.428 1.751 . . . . 0.0 110.986 179.933 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.422 ' HG ' ' N ' ' A' ' 39' ' ' CYS . 0.3 OUTLIER -50.34 -35.08 26.22 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.57 1.169 . . . . 0.0 109.289 179.973 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 39' ' ' CYS . . . . . 0.422 ' N ' ' HG ' ' A' ' 38' ' ' LEU . 1.0 OUTLIER -70.54 -50.91 32.58 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.503 1.127 . . . . 0.0 108.311 -179.977 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 43.0 mt -51.13 -47.14 62.1 Favored 'General case' 0 C--N 1.327 -0.41 0 O-C-N 124.463 1.102 . . . . 0.0 109.277 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 9.3 p -67.74 -24.89 65.41 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.526 1.141 . . . . 0.0 110.027 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 42' ' ' GLU . . . . . 0.41 ' O ' ' N ' ' A' ' 46' ' ' THR . 0.8 OUTLIER -75.87 -28.92 58.35 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.454 1.096 . . . . 0.0 110.294 179.981 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.565 HD11 ' CZ3' ' A' ' 32' ' ' TRP . 13.8 mt -47.94 -54.68 12.0 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.546 1.154 . . . . 0.0 109.343 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -51.62 -44.6 54.26 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.454 1.096 . . . . 0.0 111.05 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 45' ' ' GLN . . . . . 0.411 ' O ' ' CG ' ' A' ' 49' ' ' TRP . 1.1 tt0 -71.36 -32.0 68.01 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.562 0.801 . . . . 0.0 110.288 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 46' ' ' THR . . . . . 0.41 ' N ' ' O ' ' A' ' 42' ' ' GLU . 3.3 m -76.74 -29.14 56.04 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.524 1.14 . . . . 0.0 110.349 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 47' ' ' GLU . . . . . 0.436 ' N ' ' O ' ' A' ' 43' ' ' LEU . 23.5 tt0 -70.66 -40.15 73.18 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.488 1.118 . . . . 0.0 110.309 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.36 -32.31 48.97 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.459 1.099 . . . . 0.0 109.294 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 49' ' ' TRP . . . . . 0.411 ' CG ' ' O ' ' A' ' 45' ' ' GLN . 30.3 m0 -64.69 -30.45 71.47 Favored 'General case' 0 C--N 1.323 -0.576 0 O-C-N 124.55 1.157 . . . . 0.0 107.969 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -76.37 -9.09 58.38 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.473 1.108 . . . . 0.0 109.359 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 15.4 mt-30 -104.5 -3.37 24.03 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.566 1.166 . . . . 0.0 110.352 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 52' ' ' ASP . . . . . 0.43 ' OD1' ' N ' ' A' ' 54' ' ' LYS . 4.1 t0 -76.69 131.81 39.0 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.514 1.133 . . . . 0.0 109.221 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -53.59 -48.94 68.78 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.467 1.105 . . . . 0.0 109.209 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 54' ' ' LYS . . . . . 0.43 ' N ' ' OD1' ' A' ' 52' ' ' ASP . 0.1 OUTLIER -50.38 -43.03 54.24 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.549 1.156 . . . . 0.0 109.286 179.968 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 55' ' ' PHE . . . . . 0.577 ' CD1' HD12 ' A' ' 60' ' ' LEU . 1.3 m-85 -77.26 -36.2 54.62 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.459 1.099 . . . . 0.0 110.959 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 56' ' ' SER . . . . . 0.408 ' O ' ' C ' ' A' ' 57' ' ' SER . 20.5 m -46.71 -44.65 18.92 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.475 1.109 . . . . 0.0 109.979 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 57' ' ' SER . . . . . 0.408 ' C ' ' O ' ' A' ' 56' ' ' SER . 0.2 OUTLIER -38.97 -44.95 1.14 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.5 1.125 . . . . 0.0 109.995 -179.983 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -110.86 166.24 11.19 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.434 1.084 . . . . 0.0 109.232 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 59' ' ' ASN . . . . . 0.545 ' HB2' HG23 ' A' ' 27' ' ' THR . 16.9 m-20 -88.39 127.51 35.5 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.568 1.168 . . . . 0.0 109.221 -179.899 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.577 HD12 ' CD1' ' A' ' 55' ' ' PHE . 6.8 tt -116.97 126.13 52.45 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.487 1.117 . . . . 0.0 109.332 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.933 HD12 HG21 ' A' ' 92' ' ' VAL . 9.5 pt -151.67 160.38 3.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.39 1.057 . . . . 0.0 109.226 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 62' ' ' THR . . . . . 0.4 ' OG1' ' HA ' ' A' ' 91' ' ' VAL . 27.4 p -112.14 156.69 21.86 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.444 1.09 . . . . 0.0 110.37 -179.916 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 63' ' ' VAL . . . . . 0.443 HG23 HG23 ' A' ' 29' ' ' ILE . 3.0 t -129.0 140.95 47.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.508 1.13 . . . . 0.0 109.284 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -134.72 143.56 47.25 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.454 1.096 . . . . 0.0 109.262 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 65' ' ' SER . . . . . 0.436 ' CB ' ' HB3' ' A' ' 68' ' ' PHE . 1.6 m -114.13 107.63 51.64 Favored Pre-proline 0 C--N 1.326 -0.423 0 O-C-N 124.535 1.147 . . . . 0.0 110.025 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 66' ' ' PRO . . . . . 0.487 ' HA ' ' O ' ' A' ' 72' ' ' LYS . 18.2 Cg_endo -75.05 135.51 19.08 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.528 1.804 . . . . 0.0 111.077 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 66.96 8.0 46.5 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.541 1.151 . . . . 0.0 110.913 -179.935 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 68' ' ' PHE . . . . . 0.504 ' CD1' ' HB2' ' A' ' 69' ' ' LEU . 3.4 t80 -120.05 127.21 52.36 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.454 0.738 . . . . 0.0 111.005 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.749 HD23 ' CE2' ' A' ' 108' ' ' TYR . 5.7 tp 77.38 31.35 0.48 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.539 1.149 . . . . 0.0 109.263 179.944 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 57.3 m80 65.33 14.23 9.3 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.534 1.146 . . . . 0.0 109.668 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 71' ' ' GLU . . . . . 0.442 ' HB2' ' O ' ' A' ' 68' ' ' PHE . 0.1 OUTLIER -81.04 145.16 31.27 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.459 1.099 . . . . 0.0 110.335 -179.96 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 72' ' ' LYS . . . . . 0.487 ' O ' ' HA ' ' A' ' 66' ' ' PRO . 0.7 OUTLIER -39.85 152.04 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.443 1.09 . . . . 0.0 109.32 179.997 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 3.7 ttpt -77.92 165.86 23.58 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.437 1.085 . . . . 0.0 109.349 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 74' ' ' ASP . . . . . 0.419 ' N ' ' HB2' ' A' ' 66' ' ' PRO . 0.0 OUTLIER -65.94 147.04 53.98 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.46 1.1 . . . . 0.0 109.31 179.953 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 86.77 -48.29 3.85 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.514 1.134 . . . . 0.0 110.991 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 78.5 m-20 -76.75 -28.71 55.84 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.536 0.786 . . . . 0.0 109.303 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 4.8 t80 -77.67 -54.95 5.77 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.509 1.13 . . . . 0.0 111.019 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 16.1 pt20 -52.46 -34.93 51.25 Favored 'General case' 0 C--N 1.323 -0.548 0 O-C-N 124.426 1.078 . . . . 0.0 110.344 179.859 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -72.0 -39.58 69.13 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.577 1.173 . . . . 0.0 109.324 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 80' ' ' TRP . . . . . 0.568 ' CZ3' ' HB3' ' A' ' 34' ' ' SER . 7.0 t90 . . . . . 0 C--N 1.326 -0.418 0 N-CA-C 108.02 -1.104 . . . . 0.0 108.02 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 2.5 mtmm . . . . . 0 N--CA 1.453 -0.32 0 N-CA-C 109.299 -0.63 . . . . 0.0 109.299 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 89' ' ' LEU . . . . . 0.919 HD12 ' HD2' ' A' ' 90' ' ' PRO . 0.5 OUTLIER -113.72 132.37 22.62 Favored Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.429 1.081 . . . . 0.0 109.294 179.928 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 90' ' ' PRO . . . . . 0.919 ' HD2' HD12 ' A' ' 89' ' ' LEU . 18.3 Cg_endo -74.95 126.88 10.29 Favored 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.46 1.768 . . . . 0.0 111.003 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 91' ' ' VAL . . . . . 0.483 ' O ' ' CB ' ' A' ' 11' ' ' THR . 3.7 t -137.81 122.53 23.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 O-C-N 124.512 1.132 . . . . 0.0 109.327 179.939 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 92' ' ' VAL . . . . . 0.933 HG21 HD12 ' A' ' 61' ' ' ILE . 28.2 t -116.58 134.19 60.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.546 1.154 . . . . 0.0 109.298 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 4.7 p -118.88 118.59 31.94 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.392 1.058 . . . . 0.0 110.377 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 58.6 t0 -114.88 111.18 20.79 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.528 1.142 . . . . 0.0 109.328 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 22.3 t-20 -58.43 113.48 2.0 Allowed 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.511 1.132 . . . . 0.0 109.302 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 87.37 -19.71 30.37 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.482 1.114 . . . . 0.0 111.073 -179.939 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 63.98 71.48 0.84 Allowed Glycine 0 CA--C 1.53 0.976 0 N-CA-C 110.973 -0.851 . . . . 0.0 110.973 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 2.5 m -61.95 -36.77 82.4 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.483 0.754 . . . . 0.0 110.399 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 99' ' ' ILE . . . . . 0.71 ' CD1' HD11 ' A' ' 9' ' ' LEU . 3.1 mt -74.47 -37.74 44.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.545 1.153 . . . . 0.0 109.32 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -70.55 -37.23 74.0 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.452 1.095 . . . . 0.0 109.233 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -79.68 -34.88 39.9 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.517 1.136 . . . . 0.0 110.303 -179.952 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 34.2 t -63.56 -39.16 93.68 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.556 1.16 . . . . 0.0 109.969 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 103' ' ' LEU . . . . . 0.82 HD13 HD12 ' A' ' 123' ' ' ILE . 58.8 mt -88.93 -1.45 58.1 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.495 1.122 . . . . 0.0 109.324 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 16.5 t-20 54.55 49.88 17.25 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.54 1.15 . . . . 0.0 109.352 -179.906 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 105' ' ' ILE . . . . . 0.5 HG22 ' H ' ' A' ' 107' ' ' VAL . 18.7 mt -83.84 -79.09 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.4 1.063 . . . . 0.0 109.323 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 22.5 p 53.73 32.1 14.1 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.524 1.14 . . . . 0.0 109.983 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 107' ' ' VAL . . . . . 0.5 ' H ' HG22 ' A' ' 105' ' ' ILE . 7.7 p -148.66 132.05 7.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.627 1.204 . . . . 0.0 109.3 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 108' ' ' TYR . . . . . 0.749 ' CE2' HD23 ' A' ' 69' ' ' LEU . 17.4 m-85 -130.76 153.17 81.53 Favored Pre-proline 0 C--N 1.324 -0.538 0 O-C-N 124.603 1.19 . . . . 0.0 111.027 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 109' ' ' PRO . . . . . 0.523 ' C ' ' HA ' ' A' ' 108' ' ' TYR . 18.5 Cg_endo -75.03 173.03 60.03 Favored 'Cis proline' 0 C--N 1.36 1.175 0 C-N-CA 120.982 -2.507 . . . . 0.0 111.006 0.059 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 110' ' ' SER . . . . . 0.404 ' O ' ' HA ' ' A' ' 30' ' ' LYS . 5.1 m -158.18 149.54 21.17 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.536 1.147 . . . . 0.0 109.912 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 111' ' ' TRP . . . . . 0.563 ' CE3' ' HB2' ' A' ' 30' ' ' LYS . 83.5 m95 -123.36 141.59 51.83 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.611 1.194 . . . . 0.0 108.013 179.942 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -133.8 138.14 45.52 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.502 1.126 . . . . 0.0 109.291 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 49.5 tp -108.58 133.45 52.69 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.455 1.097 . . . . 0.0 109.297 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 114' ' ' ILE . . . . . 0.549 HD13 ' HA ' ' A' ' 120' ' ' VAL . 48.7 mm -120.55 115.23 46.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.515 1.135 . . . . 0.0 109.286 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -43.04 166.71 0.01 OUTLIER Glycine 0 CA--C 1.531 1.064 0 O-C-N 124.563 1.165 . . . . 0.0 110.979 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.34 -10.32 49.82 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.534 0.785 . . . . 0.0 109.305 -179.947 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -85.8 -22.12 27.8 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.511 1.132 . . . . 0.0 109.303 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . 99.49 30.28 6.63 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.561 1.163 . . . . 0.0 110.948 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 1.1 p30 -124.07 159.74 29.26 Favored 'General case' 0 C--N 1.323 -0.557 0 O-C-N 124.556 0.798 . . . . 0.0 109.294 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 120' ' ' VAL . . . . . 0.549 ' HA ' HD13 ' A' ' 114' ' ' ILE . 84.1 t -59.64 117.86 2.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.533 1.146 . . . . 0.0 109.286 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -101.46 -55.51 2.51 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.438 1.086 . . . . 0.0 110.337 179.938 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -148.34 142.31 25.86 Favored 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.528 1.142 . . . . 0.0 110.292 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 123' ' ' ILE . . . . . 0.82 HD12 HD13 ' A' ' 103' ' ' LEU . 12.3 tt -114.29 136.83 49.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.509 1.131 . . . . 0.0 109.333 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 73.5 t -122.15 137.21 56.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.545 1.153 . . . . 0.0 109.241 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 9.9 pttt -113.98 119.95 38.95 Favored 'General case' 0 C--N 1.326 -0.415 0 O-C-N 124.477 1.111 . . . . 0.0 109.281 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . 119.67 -146.37 18.04 Favored Glycine 0 CA--C 1.529 0.911 0 O-C-N 124.448 1.093 . . . . 0.0 111.034 -179.931 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -125.99 161.48 27.42 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.382 0.695 . . . . 0.0 109.984 -179.927 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 128' ' ' ILE . . . . . . . . . . . . . 13.9 pt -136.41 166.77 25.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.532 1.145 . . . . 0.0 109.316 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 129' ' ' ASN . . . . . 0.677 ' ND2' ' HB3' ' A' ' 131' ' ' ALA . 1.6 p-10 -106.57 169.17 8.68 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.61 1.194 . . . . 0.0 109.249 -179.929 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 10.4 tt0 -56.57 -36.8 69.73 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.509 1.131 . . . . 0.0 110.318 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 131' ' ' ALA . . . . . 0.677 ' HB3' ' ND2' ' A' ' 129' ' ' ASN . . . -63.16 -50.09 71.76 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.493 1.12 . . . . 0.0 109.282 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 1.3 tt0 -50.95 -44.88 60.56 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.577 1.173 . . . . 0.0 110.315 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 133' ' ' ALA . . . . . 0.486 ' CB ' ' CZ ' ' A' ' 55' ' ' PHE . . . -52.79 -45.64 67.28 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.487 1.117 . . . . 0.0 109.3 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 23.2 mt . . . . . 0 C--N 1.325 -0.465 0 O-C-N 124.486 1.116 . . . . 0.0 109.304 -179.93 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 3.9 mm? . . . . . 0 N--CA 1.454 -0.262 0 N-CA-C 109.211 -0.662 . . . . 0.0 109.211 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 10' ' ' LYS . . . . . 0.406 ' HA ' ' O ' ' A' ' 15' ' ' ARG . 4.5 mmmt -116.37 141.07 48.64 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.486 1.116 . . . . 0.0 109.368 179.933 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 11' ' ' THR . . . . . 0.632 HG22 HG22 ' A' ' 92' ' ' VAL . 13.4 p -82.36 -177.38 6.64 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.474 1.109 . . . . 0.0 110.435 -179.923 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -73.69 -3.98 31.57 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.571 1.169 . . . . 0.0 109.348 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -109.04 26.65 10.37 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.54 1.15 . . . . 0.0 109.326 179.876 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 47.22 36.26 4.42 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.509 1.131 . . . . 0.0 109.309 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 15' ' ' ARG . . . . . 0.406 ' O ' ' HA ' ' A' ' 10' ' ' LYS . 5.3 mtt180 -111.03 157.35 38.97 Favored Pre-proline 0 C--N 1.326 -0.433 0 O-C-N 124.451 1.094 . . . . 0.0 110.254 -179.948 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 16' ' ' PRO . . . . . 0.823 ' O ' HG22 ' A' ' 19' ' ' VAL . 18.4 Cg_endo -75.04 128.66 11.63 Favored 'Trans proline' 0 C--N 1.361 1.23 0 O-C-N 124.496 1.787 . . . . 0.0 110.987 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -49.36 -30.91 8.39 Favored 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.507 1.129 . . . . 0.0 109.224 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -55.04 -19.22 6.58 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.49 1.119 . . . . 0.0 109.971 -179.884 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.823 HG22 ' O ' ' A' ' 16' ' ' PRO . 12.2 m -48.05 -48.01 12.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.503 1.127 . . . . 0.0 109.31 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 18.5 m-85 -117.72 24.51 11.01 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.534 1.146 . . . . 0.0 110.995 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -112.83 111.06 21.57 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.527 1.142 . . . . 0.0 109.292 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -112.38 127.77 56.11 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.397 1.061 . . . . 0.0 109.3 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.9 16.54 2.76 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.474 1.109 . . . . 0.0 109.242 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -144.06 16.74 1.74 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.533 1.145 . . . . 0.0 109.314 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 6.9 mmmt -145.32 154.71 53.83 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.542 1.151 . . . . 0.0 109.23 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.93 128.55 11.63 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.571 1.827 . . . . 0.0 111.012 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 24.8 m -112.1 130.43 55.89 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.551 1.157 . . . . 0.0 110.48 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.785 HD12 ' O ' ' A' ' 112' ' ' ALA . 53.1 tp -111.45 129.57 55.99 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.471 1.107 . . . . 0.0 109.298 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.733 ' HB ' ' HB3' ' A' ' 112' ' ' ALA . 4.4 mt -108.98 149.38 12.24 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 O-C-N 124.555 1.16 . . . . 0.0 109.321 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.558 ' HD2' ' CZ2' ' A' ' 111' ' ' TRP . 12.6 tttt -139.18 117.09 11.62 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.547 1.154 . . . . 0.0 109.285 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 31' ' ' PHE . . . . . 0.631 ' CZ ' HD12 ' A' ' 105' ' ' ILE . 41.7 m-85 -89.61 120.4 30.86 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.459 1.1 . . . . 0.0 111.027 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 32' ' ' TRP . . . . . 0.768 ' CE3' HD21 ' A' ' 43' ' ' LEU . 6.4 p-90 -127.15 168.34 14.8 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 108.074 -1.084 . . . . 0.0 108.074 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 33' ' ' ALA . . . . . 0.484 ' HB3' ' HB2' ' A' ' 36' ' ' CYS . . . -132.23 135.65 46.44 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.562 1.164 . . . . 0.0 109.26 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 34' ' ' SER . . . . . 0.6 ' O ' HD11 ' A' ' 40' ' ' LEU . 0.5 OUTLIER -63.79 -35.73 81.58 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.497 1.123 . . . . 0.0 110.041 179.986 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 23.6 p-90 -71.46 -19.44 62.22 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.479 1.112 . . . . 0.0 108.041 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 36' ' ' CYS . . . . . 0.484 ' HB2' ' HB3' ' A' ' 33' ' ' ALA . 37.3 t -81.13 116.54 63.3 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.508 1.13 . . . . 0.0 108.284 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 37' ' ' PRO . . . . . 0.492 ' HA ' HD12 ' A' ' 40' ' ' LEU . 18.3 Cg_endo -75.06 -46.93 0.21 Allowed 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.483 1.781 . . . . 0.0 110.955 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.561 HD23 ' O ' ' A' ' 38' ' ' LEU . 3.2 tt -52.69 -32.26 41.67 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.477 1.11 . . . . 0.0 109.332 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 36.1 m -77.38 -45.02 27.31 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.482 1.114 . . . . 0.0 108.35 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.6 HD11 ' O ' ' A' ' 34' ' ' SER . 23.2 mt -51.38 -45.3 62.39 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.456 1.097 . . . . 0.0 109.338 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.4 p -70.53 -24.91 62.9 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.479 1.112 . . . . 0.0 109.972 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 2.8 tp10 -78.54 -24.46 45.64 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.572 1.17 . . . . 0.0 110.26 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.768 HD21 ' CE3' ' A' ' 32' ' ' TRP . 70.7 mt -46.33 -54.35 9.14 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.545 1.153 . . . . 0.0 109.24 -179.94 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -55.49 -52.67 46.36 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.409 1.068 . . . . 0.0 110.934 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 7.5 tt0 -56.72 -33.07 66.14 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.547 0.793 . . . . 0.0 110.212 -179.853 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 87.9 m -69.89 -42.63 73.16 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.518 1.137 . . . . 0.0 110.433 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 20.3 tt0 -65.81 -33.06 75.0 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.495 1.122 . . . . 0.0 110.256 -179.932 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 11.3 tptt -77.92 -38.7 44.97 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.464 1.103 . . . . 0.0 109.356 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 49' ' ' TRP . . . . . 0.501 ' HB3' ' CE2' ' A' ' 55' ' ' PHE . 40.8 m0 -69.57 -27.89 65.51 Favored 'General case' 0 C--N 1.327 -0.401 0 O-C-N 124.476 1.11 . . . . 0.0 108.01 -179.941 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -75.02 -9.14 58.25 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.485 1.116 . . . . 0.0 109.288 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 4.7 mm-40 -106.14 -16.03 14.71 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.488 1.118 . . . . 0.0 110.318 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 44.6 t0 -63.83 125.19 23.56 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.543 1.152 . . . . 0.0 109.306 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -50.02 -45.51 52.03 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.447 1.092 . . . . 0.0 109.3 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 60.4 mmtt -49.39 -45.06 45.58 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.495 1.122 . . . . 0.0 109.313 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 55' ' ' PHE . . . . . 0.645 ' CE1' HD12 ' A' ' 60' ' ' LEU . 2.2 m-85 -73.99 -30.78 62.66 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.508 1.13 . . . . 0.0 110.992 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 5.2 t -46.4 -39.03 9.78 Favored 'General case' 0 C--N 1.323 -0.568 0 O-C-N 124.51 1.131 . . . . 0.0 109.935 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 11.8 t -40.71 -56.72 2.08 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.526 1.142 . . . . 0.0 110.052 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -105.96 165.83 10.93 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.459 1.099 . . . . 0.0 109.232 -179.93 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 59' ' ' ASN . . . . . 0.408 ' N ' ' OD1' ' A' ' 59' ' ' ASN . 0.3 OUTLIER -88.95 123.62 33.47 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.557 1.161 . . . . 0.0 109.263 -179.978 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.741 ' C ' HD23 ' A' ' 60' ' ' LEU . 2.9 tt -109.83 127.57 54.77 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.505 1.128 . . . . 0.0 109.281 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.551 ' N ' HD23 ' A' ' 60' ' ' LEU . 1.0 OUTLIER -151.21 161.48 3.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.511 1.132 . . . . 0.0 109.278 179.995 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 62' ' ' THR . . . . . 0.478 ' HB ' ' CD1' ' A' ' 32' ' ' TRP . 34.9 p -116.06 150.92 36.53 Favored 'General case' 0 C--N 1.327 -0.407 0 O-C-N 124.464 1.102 . . . . 0.0 110.395 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 63' ' ' VAL . . . . . 0.447 HG23 HG23 ' A' ' 29' ' ' ILE . 2.2 t -122.92 144.16 33.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.597 1.185 . . . . 0.0 109.286 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 64' ' ' ALA . . . . . 0.446 ' N ' ' O ' ' A' ' 92' ' ' VAL . . . -134.59 139.13 45.12 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.531 1.144 . . . . 0.0 109.262 -179.932 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 65' ' ' SER . . . . . 0.438 ' CB ' ' HB3' ' A' ' 68' ' ' PHE . 10.0 m -113.18 108.16 53.13 Favored Pre-proline 0 C--N 1.326 -0.416 0 O-C-N 124.445 1.091 . . . . 0.0 109.98 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.91 135.12 18.83 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.525 1.803 . . . . 0.0 111.045 179.936 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 72.32 3.26 56.93 Favored Glycine 0 CA--C 1.531 1.061 0 O-C-N 124.436 1.085 . . . . 0.0 110.99 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 68' ' ' PHE . . . . . 0.438 ' HB3' ' CB ' ' A' ' 65' ' ' SER . 70.8 t80 -120.97 131.96 54.63 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.475 0.75 . . . . 0.0 111.017 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.423 HD23 ' CE2' ' A' ' 68' ' ' PHE . 0.2 OUTLIER 75.62 20.04 1.95 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.375 1.047 . . . . 0.0 109.297 -179.977 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER 71.09 27.38 3.31 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.472 1.107 . . . . 0.0 109.607 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -90.56 144.09 26.11 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.538 1.149 . . . . 0.0 110.28 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 72' ' ' LYS . . . . . 0.422 ' HE2' ' CE3' ' A' ' 80' ' ' TRP . 0.9 OUTLIER -40.71 148.85 0.09 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.575 1.172 . . . . 0.0 109.372 179.957 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 13.8 ptmt -74.81 163.11 28.02 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.513 1.133 . . . . 0.0 109.291 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -58.82 139.65 56.12 Favored 'General case' 0 C--N 1.327 -0.408 0 O-C-N 124.528 1.143 . . . . 0.0 109.307 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 90.49 -43.82 2.91 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.413 1.071 . . . . 0.0 110.993 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -74.1 -32.29 63.16 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.55 0.794 . . . . 0.0 109.354 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 77' ' ' PHE . . . . . 0.42 ' CD2' ' N ' ' A' ' 78' ' ' GLN . 5.1 t80 -77.53 -57.69 3.68 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.45 1.094 . . . . 0.0 111.049 179.903 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 78' ' ' GLN . . . . . 0.42 ' N ' ' CD2' ' A' ' 77' ' ' PHE . 16.2 pt20 -51.12 -28.64 11.26 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.514 1.134 . . . . 0.0 110.3 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -68.28 -50.55 52.92 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.54 1.15 . . . . 0.0 109.372 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 80' ' ' TRP . . . . . 0.585 ' CZ3' ' HB3' ' A' ' 34' ' ' SER . 5.5 t90 . . . . . 0 C--N 1.326 -0.42 0 N-CA-C 108.003 -1.11 . . . . 0.0 108.003 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 11.1 mttt . . . . . 0 N--CA 1.453 -0.297 0 N-CA-C 109.269 -0.641 . . . . 0.0 109.269 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 89' ' ' LEU . . . . . 0.608 HD12 ' HD2' ' A' ' 90' ' ' PRO . 2.5 tp -108.04 126.08 30.57 Favored Pre-proline 0 C--N 1.323 -0.546 0 O-C-N 124.498 1.124 . . . . 0.0 109.28 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 90' ' ' PRO . . . . . 0.608 ' HD2' HD12 ' A' ' 89' ' ' LEU . 18.5 Cg_endo -74.96 128.14 11.28 Favored 'Trans proline' 0 C--N 1.361 1.22 0 O-C-N 124.518 1.799 . . . . 0.0 111.055 179.927 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 91' ' ' VAL . . . . . 0.42 ' O ' ' HB ' ' A' ' 11' ' ' THR . 57.9 t -146.47 122.63 3.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.479 1.112 . . . . 0.0 109.296 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 92' ' ' VAL . . . . . 0.632 HG22 HG22 ' A' ' 11' ' ' THR . 59.6 t -113.59 137.97 44.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.512 1.132 . . . . 0.0 109.292 179.943 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 2.4 p -119.4 115.86 24.96 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.508 1.13 . . . . 0.0 110.348 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 94' ' ' ASP . . . . . 0.797 ' OD2' HD12 ' A' ' 99' ' ' ILE . 54.5 t0 -114.92 111.77 21.68 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.469 1.106 . . . . 0.0 109.314 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 18.0 t-20 -58.04 119.03 6.06 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.505 1.128 . . . . 0.0 109.302 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 84.98 -12.76 57.0 Favored Glycine 0 CA--C 1.531 1.068 0 O-C-N 124.52 1.137 . . . . 0.0 111.031 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 58.9 64.31 4.41 Favored Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.609 0.829 . . . . 0.0 111.08 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 98' ' ' THR . . . . . 0.466 ' O ' ' CB ' ' A' ' 102' ' ' SER . 2.8 m -62.19 -28.64 69.81 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.528 0.781 . . . . 0.0 110.393 -179.929 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 99' ' ' ILE . . . . . 0.797 HD12 ' OD2' ' A' ' 94' ' ' ASP . 3.0 mt -80.34 -36.88 16.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.491 1.119 . . . . 0.0 109.223 -179.911 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -73.52 -35.89 65.64 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.441 1.088 . . . . 0.0 109.358 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 3.7 tt0 -80.67 -34.55 34.66 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.5 1.125 . . . . 0.0 110.288 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 102' ' ' SER . . . . . 0.466 ' CB ' ' O ' ' A' ' 98' ' ' THR . 5.0 m -64.38 -28.06 69.43 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.539 1.15 . . . . 0.0 110.04 179.94 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 8.8 mt -103.08 -14.35 16.46 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.454 1.096 . . . . 0.0 109.28 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 8.2 t30 69.91 58.68 0.28 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.411 1.069 . . . . 0.0 109.318 -179.902 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 105' ' ' ILE . . . . . 0.631 HD12 ' CZ ' ' A' ' 31' ' ' PHE . 9.9 mt -106.24 112.44 39.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.452 1.095 . . . . 0.0 109.28 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 5.3 p -129.77 36.7 4.04 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.503 1.127 . . . . 0.0 109.962 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 1.8 p -148.37 132.71 9.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.539 1.15 . . . . 0.0 109.202 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 108' ' ' TYR . . . . . 0.572 ' CE1' ' HB3' ' A' ' 31' ' ' PHE . 22.6 m-85 -130.52 152.27 80.07 Favored Pre-proline 0 C--N 1.326 -0.446 0 O-C-N 124.538 1.149 . . . . 0.0 111.071 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 109' ' ' PRO . . . . . 0.528 ' C ' ' HA ' ' A' ' 108' ' ' TYR . 18.4 Cg_endo -75.05 161.53 94.63 Favored 'Cis proline' 0 C--N 1.359 1.087 0 C-N-CA 121.023 -2.49 . . . . 0.0 110.976 0.031 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 110' ' ' SER . . . . . 0.411 ' O ' ' HA ' ' A' ' 30' ' ' LYS . 0.4 OUTLIER -136.71 159.18 42.61 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.56 1.163 . . . . 0.0 109.976 -179.923 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 111' ' ' TRP . . . . . 0.558 ' CZ2' ' HD2' ' A' ' 30' ' ' LYS . 62.3 m95 -133.28 140.27 47.37 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 108.002 -1.11 . . . . 0.0 108.002 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 112' ' ' ALA . . . . . 0.785 ' O ' HD12 ' A' ' 28' ' ' LEU . . . -130.33 128.96 42.55 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.489 1.118 . . . . 0.0 109.254 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 113' ' ' LEU . . . . . 0.483 ' O ' HD13 ' A' ' 114' ' ' ILE . 36.5 tp -108.64 133.05 53.28 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.534 1.146 . . . . 0.0 109.295 -179.932 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 114' ' ' ILE . . . . . 0.483 HD13 ' O ' ' A' ' 113' ' ' LEU . 43.8 mm -121.16 117.31 52.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.362 1.038 . . . . 0.0 109.358 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -42.48 165.96 0.02 OUTLIER Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.452 1.095 . . . . 0.0 110.996 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -68.95 -15.37 63.47 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.487 0.757 . . . . 0.0 109.256 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -89.03 -19.89 25.08 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.463 1.102 . . . . 0.0 109.357 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . 102.81 24.22 8.26 Favored Glycine 0 CA--C 1.529 0.942 0 O-C-N 124.545 1.153 . . . . 0.0 110.98 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 6.4 p-10 -112.75 135.94 52.91 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.518 0.775 . . . . 0.0 109.278 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 62.8 t -41.11 113.93 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.469 1.106 . . . . 0.0 109.365 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -88.52 -58.99 2.35 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.527 1.142 . . . . 0.0 110.266 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -157.62 136.11 11.23 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.491 1.12 . . . . 0.0 110.327 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 123' ' ' ILE . . . . . . . . . . . . . 13.0 tt -109.27 123.78 65.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.524 1.14 . . . . 0.0 109.272 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 24.9 t -114.71 137.47 48.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.506 1.129 . . . . 0.0 109.256 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 2.5 mtmp? -120.3 115.54 23.76 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.428 1.08 . . . . 0.0 109.307 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . 131.64 -156.73 22.03 Favored Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.619 1.2 . . . . 0.0 111.028 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 5.0 m -115.51 136.91 52.6 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.513 0.773 . . . . 0.0 109.943 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 128' ' ' ILE . . . . . . . . . . . . . 13.3 pt -117.81 166.68 11.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.492 1.12 . . . . 0.0 109.32 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 129' ' ' ASN . . . . . 0.717 ' ND2' ' HB3' ' A' ' 131' ' ' ALA . 1.7 p-10 -106.55 168.53 9.11 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.481 1.113 . . . . 0.0 109.246 -179.913 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -53.75 -42.31 68.07 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.547 1.154 . . . . 0.0 110.385 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 131' ' ' ALA . . . . . 0.717 ' HB3' ' ND2' ' A' ' 129' ' ' ASN . . . -57.27 -51.74 68.16 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.491 1.12 . . . . 0.0 109.306 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 9.9 mt-30 -50.91 -45.4 60.32 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.471 1.107 . . . . 0.0 110.337 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 133' ' ' ALA . . . . . 0.454 ' CB ' ' CZ ' ' A' ' 55' ' ' PHE . . . -52.36 -45.04 65.56 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.413 1.07 . . . . 0.0 109.254 179.944 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 38.9 mt . . . . . 0 C--N 1.324 -0.537 0 O-C-N 124.527 1.142 . . . . 0.0 109.34 -179.999 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 3.2 mm? . . . . . 0 N--CA 1.454 -0.246 0 N-CA-C 109.301 -0.629 . . . . 0.0 109.301 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 10' ' ' LYS . . . . . 0.408 ' HA ' ' O ' ' A' ' 15' ' ' ARG . 17.8 mttt -127.25 156.43 41.91 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.475 1.11 . . . . 0.0 109.274 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 11' ' ' THR . . . . . 0.416 ' HA ' ' O ' ' A' ' 91' ' ' VAL . 6.6 p -87.19 176.46 7.56 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.407 1.067 . . . . 0.0 110.474 179.927 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -71.86 -12.04 61.09 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.589 1.181 . . . . 0.0 109.345 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 4.0 p-10 -101.14 27.1 6.38 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.536 1.147 . . . . 0.0 109.29 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 46.38 62.82 2.12 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.48 1.113 . . . . 0.0 109.307 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 15' ' ' ARG . . . . . 0.408 ' O ' ' HA ' ' A' ' 10' ' ' LYS . 0.1 OUTLIER -136.0 149.82 69.56 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.555 1.159 . . . . 0.0 110.248 179.973 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.01 120.96 6.28 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.47 1.774 . . . . 0.0 110.992 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -63.72 -23.2 67.27 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.474 1.109 . . . . 0.0 109.255 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 12.2 p -64.12 -26.34 68.49 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.561 1.163 . . . . 0.0 110.062 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -58.32 -38.56 69.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.545 1.153 . . . . 0.0 109.323 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 18.1 m-85 -85.71 3.91 38.99 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.457 1.098 . . . . 0.0 110.971 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.481 HD21 HG21 ' A' ' 27' ' ' THR . 0.1 OUTLIER -115.88 114.32 24.55 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.46 1.1 . . . . 0.0 109.319 179.941 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 22' ' ' LYS . . . . . 0.463 ' CG ' ' O ' ' A' ' 21' ' ' LEU . 0.1 OUTLIER 169.3 -176.79 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.494 1.121 . . . . 0.0 109.284 -179.987 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.421 ' O ' ' C ' ' A' ' 24' ' ' ASP . 0.2 OUTLIER 65.56 23.71 11.76 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.386 1.053 . . . . 0.0 109.281 179.968 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 24' ' ' ASP . . . . . 0.421 ' C ' ' O ' ' A' ' 23' ' ' LYS . 15.0 m-20 39.18 40.05 0.47 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.563 1.165 . . . . 0.0 109.294 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 8.1 mttp -101.8 162.55 20.04 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.568 1.167 . . . . 0.0 109.287 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.07 156.56 42.71 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.442 1.759 . . . . 0.0 110.992 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 27' ' ' THR . . . . . 0.583 HG23 ' HB2' ' A' ' 59' ' ' ASN . 33.8 m -130.22 141.81 50.61 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.608 1.193 . . . . 0.0 110.464 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.534 HD21 ' CE3' ' A' ' 111' ' ' TRP . 12.0 tp -126.28 130.51 51.01 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.582 1.176 . . . . 0.0 109.259 -179.908 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.77 ' HB ' ' HB3' ' A' ' 112' ' ' ALA . 5.4 mp -110.27 149.65 13.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.482 1.114 . . . . 0.0 109.249 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.533 ' HB2' ' CE3' ' A' ' 111' ' ' TRP . 0.7 OUTLIER -138.61 119.2 13.95 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.518 1.136 . . . . 0.0 109.326 179.98 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 31' ' ' PHE . . . . . 0.581 ' HB3' ' CE1' ' A' ' 108' ' ' TYR . 25.6 m-85 -91.45 131.31 37.0 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.507 1.129 . . . . 0.0 110.967 -179.937 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 32' ' ' TRP . . . . . 0.63 ' CE3' HD21 ' A' ' 43' ' ' LEU . 8.7 p-90 -134.77 167.61 20.55 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.518 1.136 . . . . 0.0 107.981 179.933 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 33' ' ' ALA . . . . . 0.601 ' HB1' ' CE2' ' A' ' 35' ' ' TRP . . . -131.84 133.1 44.29 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.432 1.083 . . . . 0.0 109.277 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 28.0 t -59.56 -17.64 34.32 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.452 1.095 . . . . 0.0 110.062 179.929 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 35' ' ' TRP . . . . . 0.601 ' CE2' ' HB1' ' A' ' 33' ' ' ALA . 16.9 p-90 -92.29 -15.64 27.14 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.519 1.137 . . . . 0.0 108.022 179.919 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 36' ' ' CYS . . . . . 0.447 ' HB2' ' HB3' ' A' ' 33' ' ' ALA . 42.0 t -77.45 115.27 48.01 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.508 1.13 . . . . 0.0 108.245 -179.929 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 37' ' ' PRO . . . . . 0.454 ' HA ' HD12 ' A' ' 40' ' ' LEU . 18.2 Cg_endo -74.95 -33.72 4.44 Favored 'Trans proline' 0 C--N 1.359 1.097 0 O-C-N 124.505 1.792 . . . . 0.0 110.994 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.456 ' O ' HD22 ' A' ' 38' ' ' LEU . 1.6 tm? -65.66 -31.23 72.14 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.483 1.114 . . . . 0.0 109.352 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 39' ' ' CYS . . . . . 0.449 ' O ' ' N ' ' A' ' 43' ' ' LEU . 52.2 m -78.03 -42.95 30.78 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.53 1.144 . . . . 0.0 108.354 179.884 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.454 HD12 ' HA ' ' A' ' 37' ' ' PRO . 2.3 mt -51.27 -41.86 60.7 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.569 1.168 . . . . 0.0 109.304 179.929 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 83.8 p -75.36 -25.28 57.6 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.449 1.093 . . . . 0.0 110.042 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 42' ' ' GLU . . . . . 0.419 ' O ' ' N ' ' A' ' 46' ' ' THR . 1.8 tp10 -87.56 -10.9 50.31 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.54 1.15 . . . . 0.0 110.27 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.63 HD21 ' CE3' ' A' ' 32' ' ' TRP . 26.1 mt -53.84 -49.98 67.23 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.539 1.149 . . . . 0.0 109.291 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -67.96 -43.83 80.82 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.405 1.066 . . . . 0.0 110.979 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 45' ' ' GLN . . . . . 0.46 ' CG ' ' CE2' ' A' ' 49' ' ' TRP . 0.1 OUTLIER -64.06 -30.8 71.84 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.575 0.809 . . . . 0.0 110.27 -179.96 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 46' ' ' THR . . . . . 0.419 ' N ' ' O ' ' A' ' 42' ' ' GLU . 89.5 m -74.47 -39.22 62.63 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.472 1.108 . . . . 0.0 110.468 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 34.6 tt0 -69.0 -31.12 69.72 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.565 1.165 . . . . 0.0 110.357 179.904 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 48' ' ' LYS . . . . . 0.413 ' O ' ' HG3' ' A' ' 51' ' ' GLN . 7.4 tptm -78.32 -54.44 6.2 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.506 1.129 . . . . 0.0 109.373 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 49' ' ' TRP . . . . . 0.522 ' CE2' ' HB2' ' A' ' 130' ' ' GLU . 47.9 m0 -56.75 -26.37 57.19 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 108.027 -1.101 . . . . 0.0 108.027 179.929 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -74.81 -10.6 59.67 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.622 1.201 . . . . 0.0 109.273 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 51' ' ' GLN . . . . . 0.413 ' HG3' ' O ' ' A' ' 48' ' ' LYS . 0.3 OUTLIER -109.95 -8.86 14.8 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.433 1.083 . . . . 0.0 110.267 -179.96 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 52' ' ' ASP . . . . . 0.43 ' OD1' ' N ' ' A' ' 54' ' ' LYS . 3.7 t0 -61.44 127.94 33.89 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.475 1.109 . . . . 0.0 109.311 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -55.38 -49.61 71.85 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.447 1.092 . . . . 0.0 109.311 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 54' ' ' LYS . . . . . 0.43 ' N ' ' OD1' ' A' ' 52' ' ' ASP . 14.3 mmtt -48.92 -37.82 20.99 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.545 1.153 . . . . 0.0 109.301 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 55' ' ' PHE . . . . . 0.834 ' CE1' HD12 ' A' ' 60' ' ' LEU . 0.1 OUTLIER -76.91 -27.79 55.05 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.482 1.114 . . . . 0.0 110.96 -179.986 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 9.3 t -46.54 -31.16 2.6 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.468 1.105 . . . . 0.0 110.006 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 1.4 m -45.9 -53.23 10.18 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.469 1.106 . . . . 0.0 110.022 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -111.02 165.61 11.74 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.47 1.106 . . . . 0.0 109.341 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 59' ' ' ASN . . . . . 0.583 ' HB2' HG23 ' A' ' 27' ' ' THR . 3.9 m-20 -89.18 125.21 34.97 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.494 1.121 . . . . 0.0 109.221 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.834 HD12 ' CE1' ' A' ' 55' ' ' PHE . 3.2 tt -115.69 127.11 54.91 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.503 1.127 . . . . 0.0 109.301 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.744 ' N ' HD23 ' A' ' 60' ' ' LEU . 0.2 OUTLIER -149.88 160.81 4.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.498 1.124 . . . . 0.0 109.3 -179.967 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 62' ' ' THR . . . . . 0.518 ' HB ' ' CD1' ' A' ' 32' ' ' TRP . 61.6 p -112.11 152.31 28.42 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.529 1.143 . . . . 0.0 110.348 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 63' ' ' VAL . . . . . 0.425 HG23 HG23 ' A' ' 29' ' ' ILE . 2.3 t -123.63 142.29 40.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.461 1.101 . . . . 0.0 109.26 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 64' ' ' ALA . . . . . 0.443 ' HB3' HG22 ' A' ' 93' ' ' THR . . . -134.45 140.06 45.97 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.565 1.166 . . . . 0.0 109.351 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 65' ' ' SER . . . . . 0.445 ' CB ' ' HB3' ' A' ' 68' ' ' PHE . 15.8 m -112.37 107.66 55.21 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.562 1.164 . . . . 0.0 109.961 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 66' ' ' PRO . . . . . 0.423 ' HB2' ' N ' ' A' ' 74' ' ' ASP . 18.3 Cg_endo -75.01 137.96 22.38 Favored 'Trans proline' 0 C--N 1.359 1.11 0 O-C-N 124.646 1.866 . . . . 0.0 110.993 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 66.76 8.21 46.39 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.59 1.181 . . . . 0.0 110.991 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 68' ' ' PHE . . . . . 0.647 ' CD2' HD13 ' A' ' 69' ' ' LEU . 8.6 t80 -121.08 138.72 54.05 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.528 0.781 . . . . 0.0 110.958 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.677 HD22 ' CE2' ' A' ' 108' ' ' TYR . 8.7 mp 68.56 20.11 8.48 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.529 1.143 . . . . 0.0 109.285 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER 70.28 37.54 1.58 Allowed 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.563 1.164 . . . . 0.0 109.514 179.902 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 71' ' ' GLU . . . . . 0.43 ' HA ' ' OE2' ' A' ' 71' ' ' GLU . 0.2 OUTLIER -103.85 149.89 24.64 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.429 1.081 . . . . 0.0 110.298 179.991 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 72' ' ' LYS . . . . . 0.419 ' C ' ' O ' ' A' ' 71' ' ' GLU . 3.3 mmtm -39.24 135.94 0.94 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.456 1.097 . . . . 0.0 109.337 179.889 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -63.79 166.26 7.42 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.51 1.132 . . . . 0.0 109.346 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 74' ' ' ASP . . . . . 0.423 ' N ' ' HB2' ' A' ' 66' ' ' PRO . 4.8 t70 -66.67 147.25 53.53 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.483 1.115 . . . . 0.0 109.326 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 88.83 -48.91 3.55 Favored Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.583 1.177 . . . . 0.0 111.015 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -76.01 -32.65 59.5 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.461 0.742 . . . . 0.0 109.29 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 57.6 t80 -72.05 -53.36 13.11 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.51 1.131 . . . . 0.0 111.082 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 16.6 pt20 -55.13 -32.99 62.51 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.477 1.111 . . . . 0.0 110.306 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.87 -39.3 72.96 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.5 1.125 . . . . 0.0 109.294 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 80' ' ' TRP . . . . . . . . . . . . . 39.7 t90 . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.593 1.183 . . . . 0.0 107.997 -179.962 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.301 0 N-CA-C 109.296 -0.631 . . . . 0.0 109.296 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 89' ' ' LEU . . . . . 0.403 ' HA ' ' HD3' ' A' ' 90' ' ' PRO . 0.1 OUTLIER -105.6 137.27 19.26 Favored Pre-proline 0 C--N 1.324 -0.525 0 O-C-N 124.573 1.171 . . . . 0.0 109.309 179.977 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 90' ' ' PRO . . . . . 0.448 ' CB ' HG22 ' A' ' 61' ' ' ILE . 18.5 Cg_endo -74.94 127.32 10.64 Favored 'Trans proline' 0 C--N 1.359 1.115 0 O-C-N 124.501 1.79 . . . . 0.0 111.088 179.853 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 91' ' ' VAL . . . . . 0.416 ' O ' ' HA ' ' A' ' 11' ' ' THR . 88.8 t -142.73 118.13 5.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.477 1.111 . . . . 0.0 109.389 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 43.4 t -109.65 136.92 44.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.477 1.111 . . . . 0.0 109.347 -179.906 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 93' ' ' THR . . . . . 0.443 HG22 ' HB3' ' A' ' 64' ' ' ALA . 2.3 p -124.78 118.59 26.74 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.42 1.075 . . . . 0.0 110.377 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 94' ' ' ASP . . . . . 0.42 ' OD2' HD12 ' A' ' 99' ' ' ILE . 56.2 t0 -114.71 112.1 22.32 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.575 1.172 . . . . 0.0 109.275 -179.903 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -54.77 115.21 2.04 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.477 1.11 . . . . 0.0 109.282 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 88.23 -22.11 21.07 Favored Glycine 0 CA--C 1.529 0.921 0 O-C-N 124.498 1.124 . . . . 0.0 111.031 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 73.19 61.72 3.35 Favored Glycine 0 CA--C 1.531 1.034 0 N-CA-C 110.916 -0.874 . . . . 0.0 110.916 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 98' ' ' THR . . . . . 0.514 ' O ' ' CB ' ' A' ' 102' ' ' SER . 1.4 m -58.19 -37.53 74.93 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.526 0.78 . . . . 0.0 110.373 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 99' ' ' ILE . . . . . 0.539 ' O ' HD12 ' A' ' 103' ' ' LEU . 2.4 mt -72.9 -30.26 31.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.593 1.183 . . . . 0.0 109.343 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -76.62 -49.26 16.7 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.43 1.082 . . . . 0.0 109.295 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 5.6 pt20 -70.31 -29.06 65.69 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.475 1.109 . . . . 0.0 110.276 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 102' ' ' SER . . . . . 0.514 ' CB ' ' O ' ' A' ' 98' ' ' THR . 12.6 t -67.81 -34.61 77.09 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.599 1.187 . . . . 0.0 110.104 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 103' ' ' LEU . . . . . 0.539 HD12 ' O ' ' A' ' 99' ' ' ILE . 2.6 mt -107.7 9.9 29.04 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.501 1.125 . . . . 0.0 109.314 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 15.9 t-20 50.28 68.57 0.74 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.4 1.062 . . . . 0.0 109.258 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 105' ' ' ILE . . . . . 0.614 HD11 HD11 ' A' ' 123' ' ' ILE . 48.9 mt -112.49 106.44 20.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.446 1.091 . . . . 0.0 109.311 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 106' ' ' SER . . . . . 0.571 ' HA ' HD21 ' A' ' 69' ' ' LEU . 11.5 p -131.17 34.16 4.05 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.554 1.159 . . . . 0.0 110.062 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 2.4 p -145.83 132.91 14.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.428 1.08 . . . . 0.0 109.325 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 108' ' ' TYR . . . . . 0.677 ' CE2' HD22 ' A' ' 69' ' ' LEU . 21.9 m-30 -130.52 152.67 80.76 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.552 1.158 . . . . 0.0 110.957 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 109' ' ' PRO . . . . . 0.535 ' C ' ' HA ' ' A' ' 108' ' ' TYR . 18.2 Cg_endo -75.05 166.89 82.05 Favored 'Cis proline' 0 C--N 1.361 1.22 0 C-N-CA 121.04 -2.483 . . . . 0.0 111.02 0.015 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 1.4 m -145.51 155.79 43.31 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.483 1.114 . . . . 0.0 109.984 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 111' ' ' TRP . . . . . 0.534 ' CE3' HD21 ' A' ' 28' ' ' LEU . 88.6 m95 -129.28 142.1 50.93 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 107.991 -1.114 . . . . 0.0 107.991 -179.949 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 112' ' ' ALA . . . . . 0.77 ' HB3' ' HB ' ' A' ' 29' ' ' ILE . . . -127.29 138.58 53.09 Favored 'General case' 0 C--N 1.323 -0.557 0 O-C-N 124.592 1.182 . . . . 0.0 109.355 179.909 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 22.3 tp -109.1 127.61 54.29 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.527 1.142 . . . . 0.0 109.3 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 114' ' ' ILE . . . . . 0.595 HD13 ' HA ' ' A' ' 120' ' ' VAL . 43.1 mm -119.78 115.76 48.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 O-C-N 124.555 1.16 . . . . 0.0 109.285 -179.956 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -43.54 167.49 0.02 OUTLIER Glycine 0 CA--C 1.529 0.946 0 O-C-N 124.445 1.091 . . . . 0.0 111.037 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 6.8 pttt -69.43 -13.64 62.47 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.487 0.757 . . . . 0.0 109.295 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -87.3 -21.65 25.62 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.547 1.154 . . . . 0.0 109.322 179.946 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . 103.2 25.02 7.63 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.508 1.13 . . . . 0.0 111.087 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 4.7 p-10 -112.21 152.61 28.19 Favored 'General case' 0 C--N 1.327 -0.394 0 O-C-N 124.492 0.76 . . . . 0.0 109.272 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 120' ' ' VAL . . . . . 0.595 ' HA ' HD13 ' A' ' 114' ' ' ILE . 55.9 t -58.13 113.18 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.554 1.159 . . . . 0.0 109.299 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 3.2 mt-30 -86.49 -57.6 2.94 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.446 1.091 . . . . 0.0 110.341 179.931 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 2.1 ttt180 -158.22 158.16 33.98 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.537 1.148 . . . . 0.0 110.187 -179.935 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 123' ' ' ILE . . . . . 0.614 HD11 HD11 ' A' ' 105' ' ' ILE . 1.0 OUTLIER -115.01 135.38 55.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.491 1.119 . . . . 0.0 109.302 179.914 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 62.7 t -129.69 131.66 66.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.516 1.135 . . . . 0.0 109.368 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 14.9 ptmt -114.19 135.43 54.06 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.642 1.213 . . . . 0.0 109.226 -179.923 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . 123.55 -134.14 9.23 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.493 1.121 . . . . 0.0 110.948 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -152.84 153.78 33.79 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.458 0.74 . . . . 0.0 109.951 -179.93 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 128' ' ' ILE . . . . . . . . . . . . . 5.3 pt -129.63 163.52 34.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.602 1.189 . . . . 0.0 109.317 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 129' ' ' ASN . . . . . . . . . . . . . 3.1 p30 -108.58 167.97 9.66 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.573 1.171 . . . . 0.0 109.242 -179.942 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 130' ' ' GLU . . . . . 0.522 ' HB2' ' CE2' ' A' ' 49' ' ' TRP . 16.5 tt0 -50.7 -38.19 45.63 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.572 1.17 . . . . 0.0 110.279 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -57.73 -51.86 67.84 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.505 1.128 . . . . 0.0 109.293 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -51.82 -45.44 63.93 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.507 1.129 . . . . 0.0 110.275 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 133' ' ' ALA . . . . . 0.44 ' HB1' ' CZ ' ' A' ' 55' ' ' PHE . . . -64.59 -35.79 82.13 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.597 1.186 . . . . 0.0 109.291 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 2.8 mt . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.415 1.072 . . . . 0.0 109.319 179.933 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.645 HD11 ' CB ' ' A' ' 94' ' ' ASP . 3.3 mm? . . . . . 0 N--CA 1.453 -0.296 0 N-CA-C 109.206 -0.664 . . . . 0.0 109.206 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 3.7 mmmt -101.14 149.89 23.51 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.564 1.165 . . . . 0.0 109.329 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 11' ' ' THR . . . . . 0.472 ' HG1' ' HB2' ' A' ' 15' ' ' ARG . 33.4 p -80.85 172.53 13.63 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.541 1.151 . . . . 0.0 110.412 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -70.73 -6.61 38.72 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.467 1.104 . . . . 0.0 109.276 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -99.56 16.55 22.98 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.479 1.112 . . . . 0.0 109.311 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER 56.76 40.74 28.93 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.494 1.121 . . . . 0.0 109.284 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 15' ' ' ARG . . . . . 0.472 ' HB2' ' HG1' ' A' ' 11' ' ' THR . 12.2 mmt180 -120.23 151.9 53.93 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.485 1.116 . . . . 0.0 110.301 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 16' ' ' PRO . . . . . 0.509 ' HG2' HG23 ' A' ' 19' ' ' VAL . 18.3 Cg_endo -75.07 121.7 6.71 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.473 1.776 . . . . 0.0 110.95 -179.942 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 17' ' ' ALA . . . . . 0.42 ' HB2' ' O ' ' A' ' 9' ' ' LEU . . . -53.44 -27.94 27.46 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.509 1.13 . . . . 0.0 109.276 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -55.43 -18.76 7.55 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.551 1.157 . . . . 0.0 110.015 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.509 HG23 ' HG2' ' A' ' 16' ' ' PRO . 40.8 t -69.6 -25.01 27.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.533 1.145 . . . . 0.0 109.183 -179.903 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 9.9 m-85 -109.9 23.71 14.01 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.492 1.12 . . . . 0.0 110.919 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.518 ' CG ' HG21 ' A' ' 27' ' ' THR . 0.2 OUTLIER -142.78 119.78 11.35 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.517 1.136 . . . . 0.0 109.339 179.948 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 22' ' ' LYS . . . . . 0.495 ' CG ' ' O ' ' A' ' 21' ' ' LEU . 0.0 OUTLIER 163.95 -172.42 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.402 1.064 . . . . 0.0 109.355 -179.945 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.406 ' O ' ' C ' ' A' ' 24' ' ' ASP . 0.0 OUTLIER 65.63 27.26 11.45 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.545 1.153 . . . . 0.0 109.297 -179.985 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 24' ' ' ASP . . . . . 0.406 ' C ' ' O ' ' A' ' 23' ' ' LYS . 23.7 m-20 40.16 39.23 0.61 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.431 1.082 . . . . 0.0 109.293 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.415 ' CE ' ' O ' ' A' ' 57' ' ' SER . 6.4 mttp -103.57 162.25 20.58 Favored Pre-proline 0 C--N 1.323 -0.555 0 O-C-N 124.539 1.149 . . . . 0.0 109.343 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.7 Cg_endo -74.97 146.58 32.94 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.464 1.771 . . . . 0.0 111.057 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 27' ' ' THR . . . . . 0.621 HG23 ' HB2' ' A' ' 59' ' ' ASN . 3.4 m -120.97 133.26 55.27 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.564 1.165 . . . . 0.0 110.434 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.747 HD21 ' CE3' ' A' ' 111' ' ' TRP . 8.6 tt -110.98 142.92 42.47 Favored 'General case' 0 C--N 1.323 -0.565 0 O-C-N 124.455 1.097 . . . . 0.0 109.337 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.514 ' HB ' ' HB3' ' A' ' 112' ' ' ALA . 4.0 mm -118.39 147.44 21.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.504 1.127 . . . . 0.0 109.27 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.524 ' HG3' ' CD2' ' A' ' 111' ' ' TRP . 0.0 OUTLIER -138.87 113.35 8.93 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.5 1.125 . . . . 0.0 109.365 -179.971 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 31' ' ' PHE . . . . . 0.564 ' HB3' ' CE1' ' A' ' 108' ' ' TYR . 35.7 m-85 -90.18 126.44 35.81 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.444 1.09 . . . . 0.0 110.956 -179.933 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 32' ' ' TRP . . . . . 0.857 ' CZ3' HD11 ' A' ' 43' ' ' LEU . 5.7 p-90 -132.42 166.6 21.63 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.577 1.173 . . . . 0.0 108.022 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -133.73 156.02 48.7 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.421 1.076 . . . . 0.0 109.302 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 34' ' ' SER . . . . . 0.55 ' OG ' ' CH2' ' A' ' 80' ' ' TRP . 6.3 t -78.68 -24.79 44.87 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.5 1.125 . . . . 0.0 110.027 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 20.1 p-90 -81.31 -6.86 59.35 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.474 1.109 . . . . 0.0 108.016 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 48.3 t -97.45 110.6 55.42 Favored Pre-proline 0 C--N 1.326 -0.428 0 O-C-N 124.458 1.099 . . . . 0.0 108.307 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.09 -37.46 1.98 Allowed 'Trans proline' 0 C--N 1.359 1.094 0 O-C-N 124.534 1.808 . . . . 0.0 110.996 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.492 HD23 ' O ' ' A' ' 38' ' ' LEU . 1.7 tt -62.41 -27.99 69.47 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 0.0 109.267 179.926 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 19.5 m -78.44 -50.13 12.22 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.527 1.142 . . . . 0.0 108.293 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.622 ' HA ' HD12 ' A' ' 43' ' ' LEU . 13.2 mt -51.81 -46.89 64.45 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.471 1.107 . . . . 0.0 109.189 -179.895 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 10.5 p -69.34 -25.4 64.18 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.595 1.184 . . . . 0.0 109.974 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -80.8 -24.96 38.17 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.434 1.084 . . . . 0.0 110.302 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.857 HD11 ' CZ3' ' A' ' 32' ' ' TRP . 78.7 mt -49.2 -52.79 24.67 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.555 1.159 . . . . 0.0 109.28 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -52.6 -49.22 53.73 Favored Glycine 0 CA--C 1.529 0.915 0 O-C-N 124.53 1.143 . . . . 0.0 111.007 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 45' ' ' GLN . . . . . 0.492 ' HG2' ' CZ2' ' A' ' 49' ' ' TRP . 1.2 tt0 -63.84 -36.42 83.86 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.429 0.723 . . . . 0.0 110.258 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 8.3 m -67.72 -30.18 69.61 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.415 1.072 . . . . 0.0 110.397 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 47' ' ' GLU . . . . . 0.401 ' OE2' ' C ' ' A' ' 88' ' ' LYS . 22.2 tt0 -67.42 -36.93 82.23 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.377 1.048 . . . . 0.0 110.216 -179.897 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 3.6 tttt -78.51 -30.15 47.01 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.496 1.123 . . . . 0.0 109.227 -179.913 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 49' ' ' TRP . . . . . 0.492 ' CZ2' ' HG2' ' A' ' 45' ' ' GLN . 46.6 m0 -77.47 -30.16 53.04 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.494 1.121 . . . . 0.0 108.03 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -76.59 -15.86 59.73 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.571 1.169 . . . . 0.0 109.273 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -112.53 5.72 18.1 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.553 1.158 . . . . 0.0 110.286 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 52' ' ' ASP . . . . . 0.408 ' O ' ' N ' ' A' ' 56' ' ' SER . 1.4 t0 -75.09 129.12 37.04 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.526 1.141 . . . . 0.0 109.274 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -51.3 -50.71 58.82 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.582 1.176 . . . . 0.0 109.291 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -49.73 -43.41 47.79 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.507 1.129 . . . . 0.0 109.343 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 55' ' ' PHE . . . . . 0.745 ' CZ ' ' HB1' ' A' ' 133' ' ' ALA . 0.1 OUTLIER -77.0 -27.84 54.81 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.515 1.135 . . . . 0.0 111.006 179.981 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 56' ' ' SER . . . . . 0.408 ' N ' ' O ' ' A' ' 52' ' ' ASP . 9.5 t -46.43 -36.94 7.04 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.374 1.047 . . . . 0.0 110.006 179.928 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 57' ' ' SER . . . . . 0.415 ' O ' ' CE ' ' A' ' 25' ' ' LYS . 12.5 t -39.04 -54.4 1.7 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.476 1.11 . . . . 0.0 110.055 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -108.71 165.26 11.68 Favored 'General case' 0 N--CA 1.451 -0.422 0 O-C-N 124.352 1.032 . . . . 0.0 109.329 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 59' ' ' ASN . . . . . 0.621 ' HB2' HG23 ' A' ' 27' ' ' THR . 18.6 m-20 -89.42 122.7 32.87 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.426 1.079 . . . . 0.0 109.39 179.93 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.745 ' C ' HD23 ' A' ' 60' ' ' LEU . 2.8 tt -113.05 133.15 55.11 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.436 1.085 . . . . 0.0 109.301 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.895 HD12 HG21 ' A' ' 92' ' ' VAL . 15.0 pt -151.51 160.66 3.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.526 1.141 . . . . 0.0 109.349 179.943 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 62' ' ' THR . . . . . 0.453 ' O ' ' N ' ' A' ' 92' ' ' VAL . 47.3 p -112.75 147.83 36.03 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.505 1.128 . . . . 0.0 110.374 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 2.2 t -118.17 144.25 26.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.451 1.094 . . . . 0.0 109.337 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 64' ' ' ALA . . . . . 0.488 ' HB3' HG22 ' A' ' 93' ' ' THR . . . -134.38 142.36 47.16 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.402 1.064 . . . . 0.0 109.393 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 65' ' ' SER . . . . . 0.466 ' CB ' ' HB3' ' A' ' 68' ' ' PHE . 19.9 m -119.36 108.62 39.65 Favored Pre-proline 0 C--N 1.324 -0.518 0 O-C-N 124.47 1.106 . . . . 0.0 109.961 -179.939 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 66' ' ' PRO . . . . . 0.457 ' HA ' ' O ' ' A' ' 72' ' ' LYS . 18.4 Cg_endo -75.04 137.12 21.2 Favored 'Trans proline' 0 C--N 1.359 1.111 0 O-C-N 124.559 1.82 . . . . 0.0 110.955 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 68.19 8.53 54.88 Favored Glycine 0 CA--C 1.532 1.127 0 O-C-N 124.489 1.118 . . . . 0.0 110.952 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 68' ' ' PHE . . . . . 0.466 ' HB3' ' CB ' ' A' ' 65' ' ' SER . 52.3 t80 -118.95 132.13 56.06 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.572 0.807 . . . . 0.0 111.017 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.428 HD23 ' CE2' ' A' ' 68' ' ' PHE . 0.6 OUTLIER 69.99 41.98 1.06 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.508 1.13 . . . . 0.0 109.234 179.957 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 51.2 m80 62.35 19.6 11.2 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.435 1.084 . . . . 0.0 109.538 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 29.3 tp10 -82.89 161.35 21.91 Favored 'General case' 0 C--N 1.323 -0.545 0 O-C-N 124.558 1.162 . . . . 0.0 110.32 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 72' ' ' LYS . . . . . 0.457 ' O ' ' HA ' ' A' ' 66' ' ' PRO . 0.0 OUTLIER -61.9 140.56 58.29 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.542 1.151 . . . . 0.0 109.249 -179.967 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 44.7 tttt -64.78 160.79 19.41 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.54 1.15 . . . . 0.0 109.281 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 74' ' ' ASP . . . . . 0.421 ' N ' ' HB2' ' A' ' 66' ' ' PRO . 0.0 OUTLIER -59.85 146.03 43.47 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.507 1.129 . . . . 0.0 109.229 -179.987 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 87.79 -36.12 3.41 Favored Glycine 0 CA--C 1.529 0.917 0 O-C-N 124.533 1.146 . . . . 0.0 111.014 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -76.23 -58.45 3.28 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.462 0.742 . . . . 0.0 109.281 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 8.7 t80 -57.31 -30.23 64.58 Favored 'General case' 0 C--N 1.323 -0.558 0 O-C-N 124.434 1.084 . . . . 0.0 110.952 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 9.2 mt-30 -74.1 -29.93 62.09 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.495 1.122 . . . . 0.0 110.324 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.04 -30.3 39.4 Favored 'General case' 0 C--N 1.323 -0.549 0 O-C-N 124.432 1.082 . . . . 0.0 109.294 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 80' ' ' TRP . . . . . 0.587 ' HH2' HD21 ' A' ' 40' ' ' LEU . 15.2 t90 . . . . . 0 C--N 1.325 -0.463 0 O-C-N 124.54 1.15 . . . . 0.0 108.054 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 88' ' ' LYS . . . . . 0.401 ' C ' ' OE2' ' A' ' 47' ' ' GLU . 0.8 OUTLIER . . . . . 0 N--CA 1.452 -0.337 0 N-CA-C 109.253 -0.647 . . . . 0.0 109.253 . . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 89' ' ' LEU . . . . . 0.913 HD12 ' HD2' ' A' ' 90' ' ' PRO . 0.1 OUTLIER -136.97 136.01 20.62 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.421 1.076 . . . . 0.0 109.338 179.969 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 90' ' ' PRO . . . . . 0.913 ' HD2' HD12 ' A' ' 89' ' ' LEU . 18.2 Cg_endo -75.05 126.15 9.75 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.605 1.845 . . . . 0.0 111.003 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 91' ' ' VAL . . . . . 0.408 ' O ' ' HA ' ' A' ' 11' ' ' THR . 38.3 t -135.04 120.73 30.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.489 1.118 . . . . 0.0 109.307 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 92' ' ' VAL . . . . . 0.895 HG21 HD12 ' A' ' 61' ' ' ILE . 11.6 t -117.64 137.08 52.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.518 1.137 . . . . 0.0 109.327 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 93' ' ' THR . . . . . 0.488 HG22 ' HB3' ' A' ' 64' ' ' ALA . 10.9 p -121.11 121.76 38.56 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.483 1.114 . . . . 0.0 110.434 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 94' ' ' ASP . . . . . 0.645 ' CB ' HD11 ' A' ' 9' ' ' LEU . 61.8 t0 -114.92 111.18 20.76 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.438 1.086 . . . . 0.0 109.343 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 14.0 t-20 -60.79 111.93 1.83 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.507 1.129 . . . . 0.0 109.307 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 96' ' ' GLY . . . . . 0.415 ' O ' ' NE2' ' A' ' 101' ' ' GLN . . . 88.82 -23.61 16.28 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.4 1.063 . . . . 0.0 111.042 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 70.32 73.66 0.75 Allowed Glycine 0 CA--C 1.53 1.013 0 N-CA-C 110.966 -0.854 . . . . 0.0 110.966 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 5.2 m -63.5 -48.44 77.61 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.518 0.775 . . . . 0.0 110.44 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 3.9 mt -68.79 -38.91 79.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.497 1.123 . . . . 0.0 109.276 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 100' ' ' ALA . . . . . 0.413 ' O ' ' N ' ' A' ' 105' ' ' ILE . . . -61.92 -47.88 82.95 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.495 1.122 . . . . 0.0 109.284 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 101' ' ' GLN . . . . . 0.415 ' NE2' ' O ' ' A' ' 96' ' ' GLY . 65.7 mt-30 -74.46 -31.52 62.28 Favored 'General case' 0 C--N 1.323 -0.552 0 O-C-N 124.53 1.143 . . . . 0.0 110.328 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 42.4 t -66.74 -29.19 69.1 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.501 1.125 . . . . 0.0 109.998 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 103' ' ' LEU . . . . . 0.574 HD11 HG21 ' A' ' 120' ' ' VAL . 23.6 mt -108.66 8.77 27.14 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.493 1.12 . . . . 0.0 109.338 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 14.6 t-20 50.27 68.31 0.78 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.522 1.139 . . . . 0.0 109.254 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 105' ' ' ILE . . . . . 0.461 ' CD1' ' CZ ' ' A' ' 31' ' ' PHE . 37.7 mt -111.24 100.03 9.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.513 1.133 . . . . 0.0 109.238 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 25.2 p -125.85 34.06 4.96 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.507 1.13 . . . . 0.0 110.031 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 1.5 p -145.3 132.22 15.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.524 1.14 . . . . 0.0 109.317 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 108' ' ' TYR . . . . . 0.564 ' CE1' ' HB3' ' A' ' 31' ' ' PHE . 22.9 m-85 -131.1 152.55 80.85 Favored Pre-proline 0 C--N 1.324 -0.515 0 O-C-N 124.504 1.128 . . . . 0.0 111.033 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 109' ' ' PRO . . . . . 0.524 ' C ' ' HA ' ' A' ' 108' ' ' TYR . 18.1 Cg_endo -75.0 160.37 96.65 Favored 'Cis proline' 0 C--N 1.359 1.126 0 C-N-CA 120.942 -2.524 . . . . 0.0 110.964 0.002 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -134.67 155.79 49.9 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.56 1.163 . . . . 0.0 109.975 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 111' ' ' TRP . . . . . 0.747 ' CE3' HD21 ' A' ' 28' ' ' LEU . 39.1 m95 -134.27 138.75 45.24 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 107.962 -1.125 . . . . 0.0 107.962 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 112' ' ' ALA . . . . . 0.514 ' HB3' ' HB ' ' A' ' 29' ' ' ILE . . . -133.06 137.55 46.45 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.552 1.157 . . . . 0.0 109.324 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 113' ' ' LEU . . . . . 0.577 ' C ' HD12 ' A' ' 114' ' ' ILE . 27.2 tp -109.49 122.83 48.28 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.436 1.085 . . . . 0.0 109.285 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 114' ' ' ILE . . . . . 0.577 HD12 ' C ' ' A' ' 113' ' ' LEU . 1.1 mp -107.78 123.43 63.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.514 1.134 . . . . 0.0 109.277 -179.936 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 115' ' ' GLY . . . . . 0.406 ' N ' ' HB2' ' A' ' 121' ' ' GLN . . . -47.41 171.6 0.04 OUTLIER Glycine 0 CA--C 1.529 0.93 0 O-C-N 124.577 1.173 . . . . 0.0 111.078 179.897 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.64 -15.3 63.17 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.452 0.736 . . . . 0.0 109.293 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -82.26 -19.89 38.67 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.513 1.133 . . . . 0.0 109.272 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 118' ' ' GLY . . . . . 0.42 ' HA2' ' CG2' ' A' ' 114' ' ' ILE . . . 98.76 23.75 11.58 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.463 1.102 . . . . 0.0 110.926 179.945 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 1.2 p-10 -115.99 153.19 32.09 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.435 0.726 . . . . 0.0 109.252 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 120' ' ' VAL . . . . . 0.574 HG21 HD11 ' A' ' 103' ' ' LEU . 75.6 t -56.26 114.6 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.445 1.091 . . . . 0.0 109.304 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 121' ' ' GLN . . . . . 0.406 ' HB2' ' N ' ' A' ' 115' ' ' GLY . 15.0 tt0 -94.81 -52.7 4.15 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.544 1.153 . . . . 0.0 110.239 -179.927 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -152.39 141.09 20.91 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.497 1.123 . . . . 0.0 110.232 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 123' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -105.26 139.84 25.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.542 1.151 . . . . 0.0 109.328 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 71.4 t -125.49 135.31 64.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 O-C-N 124.507 1.13 . . . . 0.0 109.199 -179.928 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -116.74 128.05 54.96 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.618 1.199 . . . . 0.0 109.311 179.894 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . 105.13 155.23 22.51 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.576 1.173 . . . . 0.0 110.991 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 127' ' ' SER . . . . . 0.46 ' CB ' ' HG2' ' A' ' 109' ' ' PRO . 0.2 OUTLIER -68.7 159.2 32.63 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.493 0.761 . . . . 0.0 110.025 179.976 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 128' ' ' ILE . . . . . 0.792 HG22 ' NE2' ' A' ' 132' ' ' GLN . 10.7 pt -135.2 168.07 24.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.538 1.149 . . . . 0.0 109.279 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 129' ' ' ASN . . . . . . . . . . . . . 2.0 p30 -106.4 167.32 9.92 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.562 1.163 . . . . 0.0 109.346 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 16.2 tt0 -52.32 -37.29 55.46 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.425 1.078 . . . . 0.0 110.236 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -62.29 -49.93 73.72 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.518 1.136 . . . . 0.0 109.413 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 132' ' ' GLN . . . . . 0.792 ' NE2' HG22 ' A' ' 128' ' ' ILE . 18.5 mt-30 -51.45 -42.48 61.6 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.504 1.127 . . . . 0.0 110.286 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 133' ' ' ALA . . . . . 0.745 ' HB1' ' CZ ' ' A' ' 55' ' ' PHE . . . -56.17 -39.76 72.86 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.497 1.123 . . . . 0.0 109.31 179.917 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 12.4 mt . . . . . 0 C--N 1.324 -0.508 0 O-C-N 124.448 1.093 . . . . 0.0 109.284 179.971 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.967 HD11 ' CD1' ' A' ' 99' ' ' ILE . 62.5 mt . . . . . 0 N--CA 1.453 -0.306 0 N-CA-C 109.228 -0.656 . . . . 0.0 109.228 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 10' ' ' LYS . . . . . 0.408 ' HA ' ' O ' ' A' ' 15' ' ' ARG . 59.9 mttt -142.09 154.65 45.08 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.519 1.137 . . . . 0.0 109.342 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 41.5 p -91.9 175.16 6.98 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.476 1.11 . . . . 0.0 110.462 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -70.98 -7.54 46.89 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.551 1.157 . . . . 0.0 109.292 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -104.06 24.83 10.78 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.489 1.118 . . . . 0.0 109.326 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER 47.44 57.27 6.01 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.472 1.107 . . . . 0.0 109.259 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 15' ' ' ARG . . . . . 0.408 ' O ' ' HA ' ' A' ' 10' ' ' LYS . 0.6 OUTLIER -133.34 153.41 80.54 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.458 1.099 . . . . 0.0 110.309 179.97 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 126.93 10.31 Favored 'Trans proline' 0 C--N 1.361 1.184 0 O-C-N 124.52 1.8 . . . . 0.0 110.97 -179.894 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -58.9 -29.02 66.74 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.453 1.095 . . . . 0.0 109.279 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 23.3 t -50.56 -22.33 1.93 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.521 1.138 . . . . 0.0 109.954 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 6.2 t -61.82 -26.41 39.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.563 1.164 . . . . 0.0 109.316 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 15.1 m-85 -105.86 21.57 17.07 Favored 'General case' 0 C--N 1.327 -0.409 0 O-C-N 124.481 1.113 . . . . 0.0 110.961 -179.936 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -137.49 101.43 4.5 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.508 1.13 . . . . 0.0 109.315 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 174.18 -165.19 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.567 1.167 . . . . 0.0 109.294 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.41 ' O ' ' C ' ' A' ' 24' ' ' ASP . 0.0 OUTLIER 61.04 23.19 13.39 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.445 1.091 . . . . 0.0 109.288 179.945 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 24' ' ' ASP . . . . . 0.41 ' C ' ' O ' ' A' ' 23' ' ' LYS . 5.4 m-20 39.57 38.84 0.44 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.508 1.13 . . . . 0.0 109.293 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -109.35 161.08 25.29 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.434 1.084 . . . . 0.0 109.265 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.98 146.31 32.59 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.45 1.763 . . . . 0.0 110.971 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 98.3 m -118.15 142.24 47.65 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.4 1.062 . . . . 0.0 110.426 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.558 HD13 HD13 ' A' ' 113' ' ' LEU . 13.7 tp -123.71 124.13 42.06 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.529 1.143 . . . . 0.0 109.328 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.409 ' O ' ' HA ' ' A' ' 111' ' ' TRP . 3.0 mt -109.67 148.01 13.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.566 1.166 . . . . 0.0 109.263 -179.936 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.572 ' HB2' ' CE3' ' A' ' 111' ' ' TRP . 0.9 OUTLIER -139.09 113.91 9.26 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.564 1.165 . . . . 0.0 109.302 179.972 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 31' ' ' PHE . . . . . 0.604 ' CE1' ' CD1' ' A' ' 105' ' ' ILE . 47.5 m-85 -83.38 142.04 31.31 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.524 1.14 . . . . 0.0 111.007 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 32' ' ' TRP . . . . . 0.644 ' CH2' HD23 ' A' ' 43' ' ' LEU . 0.4 OUTLIER -162.34 150.6 14.58 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 107.991 -1.114 . . . . 0.0 107.991 179.965 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 33' ' ' ALA . . . . . 0.582 ' HB1' ' OE2' ' A' ' 71' ' ' GLU . . . -105.99 156.67 18.16 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.442 1.089 . . . . 0.0 109.279 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 34' ' ' SER . . . . . 0.569 ' HB3' ' CZ3' ' A' ' 80' ' ' TRP . 0.6 OUTLIER -76.07 -32.6 59.35 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.544 1.153 . . . . 0.0 110.032 179.985 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 33.8 p-90 -69.32 -13.61 62.47 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.556 1.16 . . . . 0.0 107.972 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 49.2 t -82.14 120.8 78.05 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.536 1.147 . . . . 0.0 108.255 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.95 -53.99 0.09 OUTLIER 'Trans proline' 0 C--N 1.361 1.205 0 O-C-N 124.553 1.818 . . . . 0.0 111.06 179.909 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 5.4 tt -47.93 -32.81 6.82 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.49 1.119 . . . . 0.0 109.354 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 97.5 m -78.76 -43.29 25.92 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.526 1.141 . . . . 0.0 108.265 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.503 HD23 HD11 ' A' ' 43' ' ' LEU . 17.2 mt -52.16 -56.12 16.61 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.48 1.112 . . . . 0.0 109.353 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 24.5 p -57.81 -24.1 55.73 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.566 1.166 . . . . 0.0 109.983 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -76.52 -13.09 60.11 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.452 1.095 . . . . 0.0 110.312 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.644 HD23 ' CH2' ' A' ' 32' ' ' TRP . 24.1 mt -46.39 -49.0 18.55 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.549 1.156 . . . . 0.0 109.227 -179.934 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -77.44 -42.7 17.53 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.512 1.133 . . . . 0.0 110.948 -179.919 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 13.4 tt0 -56.82 -35.92 69.34 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.506 0.768 . . . . 0.0 110.298 -179.931 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 89.6 m -74.01 -40.73 62.72 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.479 1.112 . . . . 0.0 110.437 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 47' ' ' GLU . . . . . 0.426 ' CG ' ' HB2' ' A' ' 89' ' ' LEU . 0.0 OUTLIER -55.22 -38.1 68.01 Favored 'General case' 0 C--N 1.327 -0.398 0 O-C-N 124.479 1.112 . . . . 0.0 110.301 179.948 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 48' ' ' LYS . . . . . 0.409 ' HG3' ' N ' ' A' ' 49' ' ' TRP . 10.9 ptmt -78.27 -38.23 43.21 Favored 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.605 1.191 . . . . 0.0 109.315 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 49' ' ' TRP . . . . . 0.461 ' O ' ' CD2' ' A' ' 55' ' ' PHE . 34.5 m0 -64.55 -33.98 77.17 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.461 1.101 . . . . 0.0 108.042 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -79.37 -8.79 59.35 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.534 1.146 . . . . 0.0 109.334 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 1.3 mm-40 -102.54 -10.13 19.58 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.441 1.088 . . . . 0.0 110.267 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.6 t0 -65.01 132.05 48.22 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.5 1.125 . . . . 0.0 109.284 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -59.25 -50.92 72.15 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.445 1.091 . . . . 0.0 109.286 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 54' ' ' LYS . . . . . 0.702 ' HG2' HD22 ' A' ' 134' ' ' LEU . 0.0 OUTLIER -48.5 -36.79 15.92 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.453 1.095 . . . . 0.0 109.234 -179.979 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 55' ' ' PHE . . . . . 0.81 ' CE1' HD12 ' A' ' 60' ' ' LEU . 0.2 OUTLIER -77.02 -30.49 55.84 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.488 1.118 . . . . 0.0 110.994 179.994 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 56' ' ' SER . . . . . 0.402 ' O ' ' C ' ' A' ' 57' ' ' SER . 1.4 t -46.04 -42.61 13.59 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.615 1.197 . . . . 0.0 110.047 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 57' ' ' SER . . . . . 0.402 ' C ' ' O ' ' A' ' 56' ' ' SER . 1.3 t -38.45 -58.42 1.02 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.423 1.077 . . . . 0.0 110.046 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 58' ' ' ALA . . . . . 0.427 ' O ' ' O ' ' A' ' 55' ' ' PHE . . . -103.3 166.53 10.37 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.39 1.056 . . . . 0.0 109.229 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 86.2 m-20 -88.8 136.35 33.05 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.439 1.087 . . . . 0.0 109.306 179.93 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.81 HD12 ' CE1' ' A' ' 55' ' ' PHE . 4.2 tt -124.54 126.37 45.72 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.504 1.128 . . . . 0.0 109.305 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.728 ' N ' HD23 ' A' ' 60' ' ' LEU . 12.1 pt -152.38 160.3 3.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.533 1.146 . . . . 0.0 109.293 179.943 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 62' ' ' THR . . . . . 0.421 ' HA ' ' O ' ' A' ' 30' ' ' LYS . 28.1 p -109.74 158.08 18.48 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.472 1.108 . . . . 0.0 110.389 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 3.6 t -122.87 142.28 40.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 O-C-N 124.5 1.125 . . . . 0.0 109.276 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 64' ' ' ALA . . . . . 0.45 ' N ' ' O ' ' A' ' 92' ' ' VAL . . . -134.66 125.52 27.28 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.578 1.174 . . . . 0.0 109.248 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 65' ' ' SER . . . . . 0.468 ' CB ' ' HB3' ' A' ' 68' ' ' PHE . 8.3 m -101.75 107.66 52.77 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.542 1.151 . . . . 0.0 110.013 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 66' ' ' PRO . . . . . 0.437 ' HA ' ' O ' ' A' ' 72' ' ' LYS . 18.3 Cg_endo -75.01 135.53 19.18 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.529 1.805 . . . . 0.0 110.955 -179.944 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 67.46 12.45 61.32 Favored Glycine 0 CA--C 1.531 1.078 0 O-C-N 124.5 1.125 . . . . 0.0 111.065 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 68' ' ' PHE . . . . . 0.613 ' CE2' HD23 ' A' ' 69' ' ' LEU . 72.4 t80 -125.23 137.79 54.11 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.59 0.818 . . . . 0.0 110.998 179.939 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.613 HD23 ' CE2' ' A' ' 68' ' ' PHE . 0.3 OUTLIER 63.45 48.6 3.43 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.455 1.097 . . . . 0.0 109.318 179.958 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 65.4 m170 51.09 33.79 9.83 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.575 1.172 . . . . 0.0 109.57 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 71' ' ' GLU . . . . . 0.582 ' OE2' ' HB1' ' A' ' 33' ' ' ALA . 21.5 tp10 -97.74 156.36 16.6 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.558 1.161 . . . . 0.0 110.309 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 72' ' ' LYS . . . . . 0.437 ' O ' ' HA ' ' A' ' 66' ' ' PRO . 0.2 OUTLIER -60.69 138.97 58.02 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.494 1.121 . . . . 0.0 109.319 -179.967 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 10.7 mttt -62.35 165.64 5.82 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.425 1.078 . . . . 0.0 109.383 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 74' ' ' ASP . . . . . 0.412 ' N ' ' HB2' ' A' ' 66' ' ' PRO . 0.6 OUTLIER -63.29 151.81 39.58 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.441 1.088 . . . . 0.0 109.368 179.997 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 83.9 -52.62 4.75 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.56 1.163 . . . . 0.0 111.045 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -73.82 -29.94 62.43 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.364 0.684 . . . . 0.0 109.193 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 77' ' ' PHE . . . . . 0.44 ' CZ ' ' HB1' ' A' ' 64' ' ' ALA . 10.4 t80 -77.63 -57.13 3.98 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.459 1.099 . . . . 0.0 110.988 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 15.4 pt20 -51.95 -28.17 15.67 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.56 1.163 . . . . 0.0 110.299 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -71.61 -48.34 48.69 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.519 1.137 . . . . 0.0 109.328 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 80' ' ' TRP . . . . . 0.569 ' CZ3' ' HB3' ' A' ' 34' ' ' SER . 5.4 t90 . . . . . 0 C--N 1.324 -0.506 0 O-C-N 124.472 1.107 . . . . 0.0 108.045 179.909 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.285 0 N-CA-C 109.243 -0.651 . . . . 0.0 109.243 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 89' ' ' LEU . . . . . 0.63 HD12 ' HD2' ' A' ' 90' ' ' PRO . 0.2 OUTLIER -95.63 140.54 22.38 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.504 1.128 . . . . 0.0 109.326 179.952 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 90' ' ' PRO . . . . . 0.63 ' HD2' HD12 ' A' ' 89' ' ' LEU . 18.4 Cg_endo -74.95 127.33 10.63 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.528 1.804 . . . . 0.0 110.976 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 54.9 t -138.54 120.05 16.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.543 1.152 . . . . 0.0 109.195 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 92' ' ' VAL . . . . . 0.522 HG21 HD12 ' A' ' 61' ' ' ILE . 39.8 t -114.47 130.81 68.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.413 1.071 . . . . 0.0 109.219 -179.922 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 2.4 p -112.9 116.76 30.51 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.505 1.128 . . . . 0.0 110.399 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 63.4 t0 -114.85 111.25 20.91 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.582 1.176 . . . . 0.0 109.317 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -58.87 115.11 2.89 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.515 1.135 . . . . 0.0 109.321 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 85.15 -14.74 48.16 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.505 1.128 . . . . 0.0 110.994 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 59.93 67.4 2.18 Favored Glycine 0 CA--C 1.531 1.053 0 N-CA-C 110.961 -0.855 . . . . 0.0 110.961 -179.934 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 98' ' ' THR . . . . . 0.422 ' O ' ' N ' ' A' ' 102' ' ' SER . 1.3 m -53.59 -43.17 68.37 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.5 0.765 . . . . 0.0 110.394 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 99' ' ' ILE . . . . . 0.967 ' CD1' HD11 ' A' ' 9' ' ' LEU . 3.5 mt -70.14 -44.73 77.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.524 1.14 . . . . 0.0 109.311 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 100' ' ' ALA . . . . . 0.59 ' HA ' HD12 ' A' ' 105' ' ' ILE . . . -57.72 -41.02 80.94 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.645 1.216 . . . . 0.0 109.269 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 2.7 mt-30 -80.34 -37.86 31.68 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.525 1.14 . . . . 0.0 110.244 -179.946 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 102' ' ' SER . . . . . 0.422 ' N ' ' O ' ' A' ' 98' ' ' THR . 47.2 t -61.17 -40.24 93.12 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.496 1.123 . . . . 0.0 109.954 -179.917 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 103' ' ' LEU . . . . . 0.761 HD13 HD12 ' A' ' 123' ' ' ILE . 64.9 mt -85.08 -15.98 42.15 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.398 1.061 . . . . 0.0 109.314 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 46.4 t30 67.67 52.63 0.74 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.495 1.122 . . . . 0.0 109.25 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 105' ' ' ILE . . . . . 0.604 ' CD1' ' CE1' ' A' ' 31' ' ' PHE . 84.9 mt -78.22 -100.63 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.437 1.086 . . . . 0.0 109.297 179.928 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 106' ' ' SER . . . . . 0.525 ' N ' HG22 ' A' ' 105' ' ' ILE . 3.2 p 82.54 -6.64 1.32 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.459 1.099 . . . . 0.0 110.083 -179.915 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 107' ' ' VAL . . . . . 0.57 ' H ' HG22 ' A' ' 105' ' ' ILE . 2.2 p -119.98 131.82 71.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.52 1.138 . . . . 0.0 109.24 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 108' ' ' TYR . . . . . 0.583 ' CE1' ' HB3' ' A' ' 31' ' ' PHE . 22.4 m-85 -131.54 153.74 81.65 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.552 1.157 . . . . 0.0 110.947 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 109' ' ' PRO . . . . . 0.527 ' C ' ' HA ' ' A' ' 108' ' ' TYR . 18.4 Cg_endo -75.06 167.49 80.27 Favored 'Cis proline' 0 C--N 1.359 1.112 0 C-N-CA 121.015 -2.494 . . . . 0.0 110.918 -0.038 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 110' ' ' SER . . . . . 0.415 ' O ' ' HA ' ' A' ' 30' ' ' LYS . 0.5 OUTLIER -142.58 166.0 25.85 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.433 1.083 . . . . 0.0 110.058 179.981 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 111' ' ' TRP . . . . . 0.572 ' CE3' ' HB2' ' A' ' 30' ' ' LYS . 76.9 m95 -141.93 141.23 32.95 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.593 1.183 . . . . 0.0 108.009 -179.949 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -133.51 135.88 44.71 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.472 1.108 . . . . 0.0 109.282 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 113' ' ' LEU . . . . . 0.558 HD13 HD13 ' A' ' 28' ' ' LEU . 49.4 tp -108.73 133.94 52.13 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.523 1.139 . . . . 0.0 109.285 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 20.1 mm -122.38 128.13 75.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.492 1.12 . . . . 0.0 109.279 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 115' ' ' GLY . . . . . 0.405 ' CA ' ' HG2' ' A' ' 121' ' ' GLN . . . -52.58 168.16 0.88 Allowed Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.437 1.085 . . . . 0.0 110.906 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.18 -7.41 49.02 Favored 'General case' 0 C--N 1.327 -0.406 0 O-C-N 124.426 0.721 . . . . 0.0 109.269 -179.9 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 9.9 m-20 -103.72 1.43 31.78 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.481 1.113 . . . . 0.0 109.347 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . 80.74 33.77 29.6 Favored Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.512 1.133 . . . . 0.0 111.022 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 2.1 p30 -117.58 135.52 53.91 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.526 0.78 . . . . 0.0 109.298 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 53.0 t -44.68 116.19 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.473 1.108 . . . . 0.0 109.245 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 121' ' ' GLN . . . . . 0.405 ' HG2' ' CA ' ' A' ' 115' ' ' GLY . 5.3 mm-40 -93.02 -62.12 1.44 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.449 1.093 . . . . 0.0 110.27 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 2.7 tpt85 -158.28 137.49 11.61 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.434 1.084 . . . . 0.0 110.329 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 123' ' ' ILE . . . . . 0.761 HD12 HD13 ' A' ' 103' ' ' LEU . 0.6 OUTLIER -98.39 137.46 25.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.528 1.142 . . . . 0.0 109.366 179.972 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 42.3 t -124.94 130.88 73.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.473 1.108 . . . . 0.0 109.298 -179.935 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -116.2 134.12 55.26 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.503 1.127 . . . . 0.0 109.313 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . 115.11 -154.04 17.24 Favored Glycine 0 CA--C 1.532 1.099 0 O-C-N 124.414 1.071 . . . . 0.0 110.959 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -124.44 138.0 54.39 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.597 0.821 . . . . 0.0 109.964 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 128' ' ' ILE . . . . . 0.401 ' HA ' ' OE1' ' A' ' 132' ' ' GLN . 11.3 pt -115.67 162.62 13.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.541 1.151 . . . . 0.0 109.328 179.933 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 129' ' ' ASN . . . . . . . . . . . . . 2.2 p30 -108.92 167.57 9.99 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.458 1.099 . . . . 0.0 109.323 179.921 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 130' ' ' GLU . . . . . 0.426 ' O ' ' HB3' ' A' ' 133' ' ' ALA . 4.6 tt0 -47.28 -49.3 23.97 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.5 1.125 . . . . 0.0 110.28 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -48.51 -53.91 16.34 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.493 1.121 . . . . 0.0 109.285 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 132' ' ' GLN . . . . . 0.401 ' OE1' ' HA ' ' A' ' 128' ' ' ILE . 0.0 OUTLIER -51.13 -46.7 62.02 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.543 1.152 . . . . 0.0 110.326 179.995 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 133' ' ' ALA . . . . . 0.492 ' HB1' ' CZ ' ' A' ' 55' ' ' PHE . . . -51.92 -46.11 64.52 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.488 1.117 . . . . 0.0 109.308 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 134' ' ' LEU . . . . . 0.702 HD22 ' HG2' ' A' ' 54' ' ' LYS . 12.8 mt . . . . . 0 C--N 1.326 -0.424 0 O-C-N 124.469 1.106 . . . . 0.0 109.313 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 1.8 mm? . . . . . 0 N--CA 1.453 -0.3 0 N-CA-C 109.278 -0.638 . . . . 0.0 109.278 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 10' ' ' LYS . . . . . 0.419 ' HA ' ' O ' ' A' ' 15' ' ' ARG . 11.7 mttt -105.74 144.17 32.85 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.466 1.104 . . . . 0.0 109.308 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 11' ' ' THR . . . . . 0.486 ' CB ' ' O ' ' A' ' 91' ' ' VAL . 8.4 p -87.57 179.66 6.5 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.583 1.177 . . . . 0.0 110.33 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -68.17 -9.18 44.83 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.532 1.145 . . . . 0.0 109.359 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 13' ' ' ASP . . . . . 0.448 ' N ' ' OD1' ' A' ' 13' ' ' ASP . 0.0 OUTLIER -103.81 25.51 9.75 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.457 1.098 . . . . 0.0 109.283 -179.985 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 48.08 30.93 2.26 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.467 1.104 . . . . 0.0 109.299 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 15' ' ' ARG . . . . . 0.874 ' HD2' HG21 ' A' ' 19' ' ' VAL . 0.0 OUTLIER -105.27 156.67 35.86 Favored Pre-proline 0 C--N 1.326 -0.438 0 O-C-N 124.467 1.104 . . . . 0.0 110.255 -179.964 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 16' ' ' PRO . . . . . 0.806 ' O ' HG23 ' A' ' 19' ' ' VAL . 18.1 Cg_endo -74.98 130.32 13.18 Favored 'Trans proline' 0 C--N 1.361 1.205 0 O-C-N 124.432 1.754 . . . . 0.0 111.054 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -48.35 -32.1 7.02 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.446 1.091 . . . . 0.0 109.329 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 53.2 p -49.57 -23.92 1.88 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.564 1.165 . . . . 0.0 110.036 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.874 HG21 ' HD2' ' A' ' 15' ' ' ARG . 84.7 t -53.85 -31.84 21.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.527 1.142 . . . . 0.0 109.268 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 8.2 m-85 -133.64 23.22 3.98 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.568 1.168 . . . . 0.0 110.989 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -111.45 122.25 47.34 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.481 1.113 . . . . 0.0 109.398 179.902 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -113.45 99.51 7.82 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.524 1.14 . . . . 0.0 109.324 -179.935 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.27 55.68 0.15 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.548 1.155 . . . . 0.0 109.298 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 5.9 t70 177.07 34.8 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.602 1.189 . . . . 0.0 109.228 -179.915 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 1.3 mttt -169.2 167.9 5.32 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.475 1.109 . . . . 0.0 109.322 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 135.19 18.67 Favored 'Trans proline' 0 C--N 1.358 1.064 0 O-C-N 124.531 1.806 . . . . 0.0 111.0 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 88.4 m -116.45 127.48 54.63 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.429 1.081 . . . . 0.0 110.391 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.516 HD12 ' O ' ' A' ' 112' ' ' ALA . 14.1 tp -109.09 129.5 55.47 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.507 1.129 . . . . 0.0 109.36 179.934 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.584 ' HB ' ' HB3' ' A' ' 112' ' ' ALA . 7.9 mt -108.82 148.4 12.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.472 1.107 . . . . 0.0 109.32 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.409 ' HG3' ' CE2' ' A' ' 111' ' ' TRP . 17.6 tttp -138.66 114.6 10.06 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.514 1.134 . . . . 0.0 109.284 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 31' ' ' PHE . . . . . 0.701 ' CZ ' HD12 ' A' ' 105' ' ' ILE . 54.5 m-85 -84.79 131.69 34.51 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.517 1.136 . . . . 0.0 111.065 179.908 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 32' ' ' TRP . . . . . 0.585 ' CZ2' HD11 ' A' ' 43' ' ' LEU . 7.8 p-90 -137.73 167.46 21.66 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.499 1.124 . . . . 0.0 108.017 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -132.36 147.82 52.4 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.461 1.101 . . . . 0.0 109.313 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -72.23 -39.04 68.8 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.421 1.075 . . . . 0.0 109.98 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 22.0 p-90 -69.99 -14.97 62.95 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 107.942 -1.133 . . . . 0.0 107.942 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 42.4 t -86.95 114.28 57.53 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.438 1.087 . . . . 0.0 108.351 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 -47.42 0.2 Allowed 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.502 1.791 . . . . 0.0 111.013 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -53.95 -27.78 33.26 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.491 1.12 . . . . 0.0 109.271 179.937 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 39' ' ' CYS . . . . . 0.414 ' O ' ' N ' ' A' ' 43' ' ' LEU . 1.8 m -77.59 -54.38 6.47 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.375 1.047 . . . . 0.0 108.312 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 19.5 mt -51.23 -46.88 62.42 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.513 1.133 . . . . 0.0 109.361 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 9.0 p -62.75 -25.19 68.08 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.569 1.168 . . . . 0.0 110.038 179.917 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -87.38 -31.53 20.06 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.546 1.154 . . . . 0.0 110.354 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.698 ' CD1' HD21 ' A' ' 89' ' ' LEU . 0.2 OUTLIER -45.42 -51.72 11.04 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.529 1.143 . . . . 0.0 109.393 179.89 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -53.26 -49.84 54.66 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.477 1.11 . . . . 0.0 111.022 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 45' ' ' GLN . . . . . 0.406 ' HG3' ' CE2' ' A' ' 49' ' ' TRP . 5.1 tp60 -63.11 -32.87 74.35 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.48 0.753 . . . . 0.0 110.245 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 24.6 m -66.91 -34.16 77.17 Favored 'General case' 0 C--N 1.323 -0.562 0 O-C-N 124.551 1.157 . . . . 0.0 110.408 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 47' ' ' GLU . . . . . 0.469 ' CG ' ' HB2' ' A' ' 89' ' ' LEU . 31.6 tt0 -69.51 -31.88 70.39 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.484 1.115 . . . . 0.0 110.307 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 48' ' ' LYS . . . . . 0.422 ' O ' ' CG ' ' A' ' 51' ' ' GLN . 3.5 tttt -78.06 -36.33 48.48 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.434 1.084 . . . . 0.0 109.35 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 49' ' ' TRP . . . . . 0.543 ' CZ2' ' HB2' ' A' ' 130' ' ' GLU . 47.4 m0 -75.63 -27.89 58.59 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.48 1.113 . . . . 0.0 108.004 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -67.42 -12.59 60.61 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.549 1.156 . . . . 0.0 109.325 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 51' ' ' GLN . . . . . 0.422 ' CG ' ' O ' ' A' ' 48' ' ' LYS . 5.5 pt20 -113.63 -1.84 13.94 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.57 1.169 . . . . 0.0 110.285 -179.941 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -68.44 121.75 16.99 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.489 1.118 . . . . 0.0 109.322 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -47.87 -50.58 26.05 Favored 'General case' 0 C--N 1.323 -0.548 0 O-C-N 124.62 1.2 . . . . 0.0 109.286 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 54' ' ' LYS . . . . . 0.651 ' HB3' HD22 ' A' ' 134' ' ' LEU . 0.1 OUTLIER -48.72 -39.45 24.8 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.455 1.097 . . . . 0.0 109.401 179.914 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 55' ' ' PHE . . . . . 0.883 ' CE1' HD12 ' A' ' 60' ' ' LEU . 0.1 OUTLIER -77.2 -27.72 53.66 Favored 'General case' 0 C--N 1.327 -0.403 0 O-C-N 124.509 1.131 . . . . 0.0 111.043 179.934 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 8.0 t -46.09 -38.84 8.54 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.477 1.111 . . . . 0.0 110.023 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 5.2 t -40.09 -51.91 2.57 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.519 1.137 . . . . 0.0 109.925 -179.926 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -112.72 165.8 11.94 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.505 1.128 . . . . 0.0 109.292 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 59' ' ' ASN . . . . . 0.42 ' ND2' ' N ' ' A' ' 59' ' ' ASN . 0.7 OUTLIER -89.0 123.55 33.43 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.502 1.126 . . . . 0.0 109.286 -179.957 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.883 HD12 ' CE1' ' A' ' 55' ' ' PHE . 2.4 tt -109.93 127.36 54.71 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.558 1.161 . . . . 0.0 109.262 -179.932 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.627 ' N ' HD23 ' A' ' 60' ' ' LEU . 1.0 OUTLIER -153.5 162.22 2.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 O-C-N 124.45 1.094 . . . . 0.0 109.341 179.97 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 62' ' ' THR . . . . . 0.536 ' HB ' ' CD1' ' A' ' 32' ' ' TRP . 32.7 p -114.76 148.98 37.61 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.418 1.074 . . . . 0.0 110.414 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 63' ' ' VAL . . . . . 0.416 HG22 ' HB ' ' A' ' 92' ' ' VAL . 2.2 t -122.95 145.06 30.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.525 1.141 . . . . 0.0 109.269 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -134.66 148.51 50.37 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.587 1.179 . . . . 0.0 109.295 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 65' ' ' SER . . . . . 0.439 ' CB ' ' HB3' ' A' ' 68' ' ' PHE . 38.5 m -123.52 108.77 31.11 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.492 1.12 . . . . 0.0 109.913 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 66' ' ' PRO . . . . . 0.467 ' HA ' ' O ' ' A' ' 72' ' ' LYS . 18.4 Cg_endo -74.96 136.37 20.38 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.558 1.82 . . . . 0.0 110.997 179.899 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 72.22 2.49 53.89 Favored Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.511 1.132 . . . . 0.0 110.974 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 68' ' ' PHE . . . . . 0.439 ' HB3' ' CB ' ' A' ' 65' ' ' SER . 17.1 t80 -115.11 126.6 54.84 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.537 0.786 . . . . 0.0 111.054 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.654 ' CD2' ' CE2' ' A' ' 108' ' ' TYR . 1.2 mp 75.93 27.57 0.93 Allowed 'General case' 0 C--N 1.322 -0.594 0 O-C-N 124.533 1.146 . . . . 0.0 109.323 179.945 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER 64.89 23.05 12.58 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.535 1.147 . . . . 0.0 109.635 -179.916 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 71' ' ' GLU . . . . . 0.419 ' O ' ' C ' ' A' ' 72' ' ' LYS . 0.1 OUTLIER -86.78 144.5 27.03 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.409 1.068 . . . . 0.0 110.264 -179.939 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 72' ' ' LYS . . . . . 0.467 ' O ' ' HA ' ' A' ' 66' ' ' PRO . 3.9 mmtp -38.8 142.7 0.19 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.522 1.138 . . . . 0.0 109.299 -179.943 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.26 165.86 23.39 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.507 1.13 . . . . 0.0 109.341 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 11.4 t70 -53.1 154.73 2.89 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.512 1.133 . . . . 0.0 109.264 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 75' ' ' GLY . . . . . 0.464 ' CA ' ' HG3' ' A' ' 78' ' ' GLN . . . 77.99 -52.09 3.59 Favored Glycine 0 CA--C 1.529 0.946 0 O-C-N 124.496 1.122 . . . . 0.0 111.011 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -63.64 -53.61 48.8 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.412 0.713 . . . . 0.0 109.335 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 40.5 t80 -57.42 -31.08 65.5 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.404 1.065 . . . . 0.0 110.953 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 78' ' ' GLN . . . . . 0.464 ' HG3' ' CA ' ' A' ' 75' ' ' GLY . 4.6 mt-30 -63.3 -39.73 95.37 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.553 1.158 . . . . 0.0 110.291 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.3 -41.06 81.47 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.494 1.122 . . . . 0.0 109.347 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 80' ' ' TRP . . . . . . . . . . . . . 2.7 t90 . . . . . 0 C--N 1.325 -0.497 0 O-C-N 124.547 1.154 . . . . 0.0 107.993 179.986 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 3.1 mmtt . . . . . 0 N--CA 1.452 -0.331 0 N-CA-C 109.275 -0.639 . . . . 0.0 109.275 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 89' ' ' LEU . . . . . 0.878 HD12 ' HD2' ' A' ' 90' ' ' PRO . 4.3 tp -112.54 129.79 24.04 Favored Pre-proline 0 C--N 1.324 -0.521 0 O-C-N 124.557 1.161 . . . . 0.0 109.384 179.945 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 90' ' ' PRO . . . . . 0.878 ' HD2' HD12 ' A' ' 89' ' ' LEU . 18.3 Cg_endo -74.95 127.73 10.95 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.488 1.783 . . . . 0.0 111.027 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 91' ' ' VAL . . . . . 0.486 ' O ' ' CB ' ' A' ' 11' ' ' THR . 53.9 t -145.83 117.63 2.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.44 1.088 . . . . 0.0 109.258 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 92' ' ' VAL . . . . . 0.416 ' HB ' HG22 ' A' ' 63' ' ' VAL . 84.9 t -108.28 137.3 40.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 O-C-N 124.405 1.066 . . . . 0.0 109.372 179.902 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 12.4 p -120.41 119.52 33.28 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.474 1.109 . . . . 0.0 110.458 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 58.0 t0 -115.2 111.48 21.04 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.619 1.199 . . . . 0.0 109.269 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 23.2 t-20 -56.26 115.2 2.33 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.385 1.053 . . . . 0.0 109.39 179.9 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 86.58 -18.12 35.8 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.475 1.109 . . . . 0.0 111.054 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 65.98 66.09 2.57 Favored Glycine 0 CA--C 1.529 0.967 0 N-CA-C 110.963 -0.855 . . . . 0.0 110.963 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 98' ' ' THR . . . . . 0.426 ' O ' ' N ' ' A' ' 102' ' ' SER . 1.2 m -57.88 -49.11 77.81 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.383 0.696 . . . . 0.0 110.411 179.944 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 6.4 mt -65.6 -47.39 86.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.121 . . . . 0.0 109.302 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -59.31 -38.42 80.19 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.514 1.134 . . . . 0.0 109.259 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 26.6 mt-30 -77.77 -36.29 50.72 Favored 'General case' 0 C--N 1.323 -0.558 0 O-C-N 124.489 1.118 . . . . 0.0 110.247 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 102' ' ' SER . . . . . 0.426 ' N ' ' O ' ' A' ' 98' ' ' THR . 8.6 t -64.82 -30.93 71.95 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.494 1.121 . . . . 0.0 109.931 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 103' ' ' LEU . . . . . 0.484 HD21 HG21 ' A' ' 120' ' ' VAL . 48.1 mt -97.23 5.1 50.62 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.575 1.172 . . . . 0.0 109.317 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 16.3 t-20 53.46 46.89 25.27 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.456 1.097 . . . . 0.0 109.256 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 105' ' ' ILE . . . . . 0.701 HD12 ' CZ ' ' A' ' 31' ' ' PHE . 9.7 mt -93.86 112.53 26.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.526 1.141 . . . . 0.0 109.275 -179.947 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 11.8 p -133.69 33.28 3.5 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.467 1.104 . . . . 0.0 110.041 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 2.1 p -148.06 132.55 9.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.479 1.112 . . . . 0.0 109.32 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 108' ' ' TYR . . . . . 0.654 ' CE2' ' CD2' ' A' ' 69' ' ' LEU . 22.5 m-85 -130.34 152.92 81.05 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.499 1.124 . . . . 0.0 111.073 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 109' ' ' PRO . . . . . 0.533 ' C ' ' HA ' ' A' ' 108' ' ' TYR . 18.2 Cg_endo -75.07 161.41 94.86 Favored 'Cis proline' 0 C--N 1.36 1.144 0 C-N-CA 120.903 -2.541 . . . . 0.0 110.979 -0.0 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -136.55 163.72 29.87 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.547 1.154 . . . . 0.0 109.985 -179.931 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 111' ' ' TRP . . . . . 0.409 ' CE2' ' HG3' ' A' ' 30' ' ' LYS . 80.6 m95 -135.65 141.66 45.06 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.453 1.095 . . . . 0.0 108.121 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 112' ' ' ALA . . . . . 0.584 ' HB3' ' HB ' ' A' ' 29' ' ' ILE . . . -132.15 138.63 48.11 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.558 1.161 . . . . 0.0 109.293 -179.907 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 20.8 tp -108.93 131.61 54.87 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.496 1.122 . . . . 0.0 109.306 179.905 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 114' ' ' ILE . . . . . 0.674 HD13 ' HA ' ' A' ' 120' ' ' VAL . 41.2 mm -121.57 125.79 73.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.575 1.172 . . . . 0.0 109.282 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -55.32 169.08 2.15 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.521 1.138 . . . . 0.0 110.963 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -68.83 -12.12 61.2 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.499 0.764 . . . . 0.0 109.286 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -88.63 -19.12 26.64 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.513 1.133 . . . . 0.0 109.237 -179.911 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . 99.73 23.83 10.53 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.432 1.083 . . . . 0.0 110.967 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -111.71 154.49 24.91 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.555 0.797 . . . . 0.0 109.24 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 120' ' ' VAL . . . . . 0.674 ' HA ' HD13 ' A' ' 114' ' ' ILE . 27.0 t -58.26 113.04 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.437 1.086 . . . . 0.0 109.334 179.863 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 4.0 tp-100 -88.39 -55.03 3.9 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.398 1.061 . . . . 0.0 110.272 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -154.24 158.43 40.24 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.517 1.136 . . . . 0.0 110.381 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 123' ' ' ILE . . . . . . . . . . . . . 3.5 tt -120.22 138.57 50.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.518 1.136 . . . . 0.0 109.365 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 57.1 t -130.96 138.42 53.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.508 1.13 . . . . 0.0 109.359 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 25.5 mttt -121.71 120.24 34.09 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.462 1.101 . . . . 0.0 109.374 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . 126.96 -168.95 18.97 Favored Glycine 0 CA--C 1.531 1.071 0 O-C-N 124.501 1.125 . . . . 0.0 110.922 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -110.03 154.71 22.81 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.481 0.754 . . . . 0.0 109.963 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 128' ' ' ILE . . . . . . . . . . . . . 9.9 pt -134.26 162.56 38.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.6 1.187 . . . . 0.0 109.29 179.915 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 129' ' ' ASN . . . . . 0.609 ' ND2' ' HB3' ' A' ' 131' ' ' ALA . 3.3 p-10 -102.3 172.64 6.77 Favored 'General case' 0 C--N 1.323 -0.547 0 O-C-N 124.585 1.178 . . . . 0.0 109.292 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 130' ' ' GLU . . . . . 0.543 ' HB2' ' CZ2' ' A' ' 49' ' ' TRP . 29.6 tt0 -54.91 -48.59 72.87 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.46 1.1 . . . . 0.0 110.274 -179.95 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 131' ' ' ALA . . . . . 0.609 ' HB3' ' ND2' ' A' ' 129' ' ' ASN . . . -53.24 -51.2 62.96 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.507 1.13 . . . . 0.0 109.224 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 6.5 mt-30 -50.81 -44.72 59.14 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.463 1.102 . . . . 0.0 110.265 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 133' ' ' ALA . . . . . 0.406 ' HB3' ' O ' ' A' ' 130' ' ' GLU . . . -54.28 -38.82 66.29 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.566 1.166 . . . . 0.0 109.257 -179.941 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 134' ' ' LEU . . . . . 0.651 HD22 ' HB3' ' A' ' 54' ' ' LYS . 14.3 mt . . . . . 0 C--N 1.325 -0.477 0 O-C-N 124.482 1.114 . . . . 0.0 109.323 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.449 HD11 ' HA ' ' A' ' 94' ' ' ASP . 3.6 mm? . . . . . 0 N--CA 1.454 -0.268 0 N-CA-C 109.174 -0.676 . . . . 0.0 109.174 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 10' ' ' LYS . . . . . 0.405 ' HA ' ' O ' ' A' ' 15' ' ' ARG . 6.4 mttt -137.94 149.09 45.88 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.537 1.148 . . . . 0.0 109.327 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 11' ' ' THR . . . . . 0.592 HG22 HG22 ' A' ' 92' ' ' VAL . 22.8 p -82.72 178.31 8.25 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.355 1.034 . . . . 0.0 110.429 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -68.0 -12.12 60.18 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.424 1.077 . . . . 0.0 109.322 179.941 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -94.7 16.4 15.79 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.434 1.083 . . . . 0.0 109.282 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 55.23 34.89 23.69 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.491 1.119 . . . . 0.0 109.252 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 15' ' ' ARG . . . . . 0.405 ' O ' ' HA ' ' A' ' 10' ' ' LYS . 0.7 OUTLIER -111.76 152.73 44.35 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.52 1.137 . . . . 0.0 110.36 179.973 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 17.9 Cg_endo -74.93 133.79 17.14 Favored 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.548 1.815 . . . . 0.0 111.004 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' ALA . . . . . 0.424 ' HB1' HD13 ' A' ' 21' ' ' LEU . . . -54.07 -26.95 29.57 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.444 1.09 . . . . 0.0 109.32 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 44.3 t -51.96 -31.92 31.12 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.52 1.137 . . . . 0.0 110.036 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 55.9 t -59.1 -29.81 42.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.515 1.135 . . . . 0.0 109.326 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 12.2 m-85 -118.38 22.76 11.94 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.485 1.116 . . . . 0.0 110.993 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.424 HD13 ' HB1' ' A' ' 17' ' ' ALA . 0.2 OUTLIER -132.5 106.82 8.08 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.468 1.105 . . . . 0.0 109.329 179.971 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -104.69 115.41 30.27 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.566 1.167 . . . . 0.0 109.361 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.58 51.75 0.37 Allowed 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.523 1.139 . . . . 0.0 109.256 -179.952 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -168.44 28.01 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.556 1.16 . . . . 0.0 109.218 179.922 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 7.4 ptmm? -169.3 161.61 7.59 Favored Pre-proline 0 C--N 1.324 -0.536 0 O-C-N 124.54 1.15 . . . . 0.0 109.37 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 144.74 30.6 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.419 1.747 . . . . 0.0 111.03 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 20.1 m -125.23 140.91 52.43 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.523 1.139 . . . . 0.0 110.44 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.552 HD21 ' CE3' ' A' ' 111' ' ' TRP . 5.3 tp -121.56 136.42 54.95 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.564 1.165 . . . . 0.0 109.309 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.698 ' HB ' ' HB3' ' A' ' 112' ' ' ALA . 1.3 mt -116.18 149.95 18.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.498 1.124 . . . . 0.0 109.292 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.571 ' HB2' ' CZ3' ' A' ' 111' ' ' TRP . 1.2 tttm -136.88 121.64 18.63 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.454 1.096 . . . . 0.0 109.304 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 31' ' ' PHE . . . . . 0.581 ' HB3' ' CE1' ' A' ' 108' ' ' TYR . 61.0 m-85 -94.05 125.83 38.91 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.558 1.161 . . . . 0.0 111.029 179.932 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 32' ' ' TRP . . . . . 0.686 ' CZ3' HD11 ' A' ' 43' ' ' LEU . 9.4 p-90 -131.19 165.75 22.65 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.551 1.157 . . . . 0.0 108.024 179.94 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 33' ' ' ALA . . . . . 0.514 ' HB1' ' CE2' ' A' ' 35' ' ' TRP . . . -132.24 145.64 51.46 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.504 1.127 . . . . 0.0 109.295 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 34' ' ' SER . . . . . 0.732 ' O ' HD11 ' A' ' 40' ' ' LEU . 0.1 OUTLIER -70.29 -24.47 63.04 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.458 1.099 . . . . 0.0 109.955 179.946 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 35' ' ' TRP . . . . . 0.514 ' CE2' ' HB1' ' A' ' 33' ' ' ALA . 20.3 p-90 -81.49 -9.31 59.73 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 108.011 -1.107 . . . . 0.0 108.011 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 50.0 t -93.67 116.57 66.63 Favored Pre-proline 0 C--N 1.324 -0.528 0 O-C-N 124.509 1.131 . . . . 0.0 108.364 179.904 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.91 -48.4 0.18 Allowed 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.49 1.784 . . . . 0.0 111.067 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -52.29 -30.65 29.09 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.521 1.138 . . . . 0.0 109.387 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 2.3 m -77.79 -50.27 12.68 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.543 1.152 . . . . 0.0 108.321 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.732 HD11 ' O ' ' A' ' 34' ' ' SER . 8.7 mt -51.46 -46.92 63.23 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.573 1.171 . . . . 0.0 109.302 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 88.4 p -69.94 -25.24 63.56 Favored 'General case' 0 C--N 1.323 -0.554 0 O-C-N 124.539 1.149 . . . . 0.0 109.967 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -80.23 -24.15 40.4 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.531 1.145 . . . . 0.0 110.261 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.686 HD11 ' CZ3' ' A' ' 32' ' ' TRP . 55.7 mt -44.32 -53.14 7.01 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.496 1.122 . . . . 0.0 109.355 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -56.09 -50.06 63.93 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.524 1.14 . . . . 0.0 110.95 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 1.3 tt0 -62.75 -31.29 72.2 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.469 0.747 . . . . 0.0 110.321 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 46' ' ' THR . . . . . 0.427 ' O ' ' CB ' ' A' ' 50' ' ' ALA . 29.3 m -67.46 -33.37 74.99 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.487 1.117 . . . . 0.0 110.423 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 26.6 tt0 -70.08 -40.23 75.13 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.44 1.087 . . . . 0.0 110.271 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 27.4 tttt -70.71 -35.52 72.78 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.556 1.16 . . . . 0.0 109.326 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 49' ' ' TRP . . . . . 0.612 ' O ' ' CD2' ' A' ' 55' ' ' PHE . 44.8 m0 -77.69 -42.49 34.36 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.574 1.172 . . . . 0.0 107.918 -179.925 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.427 ' CB ' ' O ' ' A' ' 46' ' ' THR . . . -65.87 -14.36 61.34 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.489 1.118 . . . . 0.0 109.331 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 1.3 pp0? -113.95 6.21 16.47 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.564 1.165 . . . . 0.0 110.246 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 52' ' ' ASP . . . . . 0.427 ' OD2' ' CD1' ' A' ' 55' ' ' PHE . 18.5 t0 -67.04 142.5 57.16 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.54 1.15 . . . . 0.0 109.358 179.905 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -63.0 -51.94 64.91 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.535 1.147 . . . . 0.0 109.325 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 54' ' ' LYS . . . . . 0.459 ' HB3' ' CD2' ' A' ' 134' ' ' LEU . 27.4 mmtm -51.84 -32.77 33.25 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.522 1.139 . . . . 0.0 109.285 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 55' ' ' PHE . . . . . 0.612 ' CD2' ' O ' ' A' ' 49' ' ' TRP . 3.2 m-85 -77.08 -27.12 54.12 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.538 1.149 . . . . 0.0 110.957 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -45.01 -27.11 0.51 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.511 1.132 . . . . 0.0 109.967 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 57' ' ' SER . . . . . 0.403 ' N ' ' C ' ' A' ' 55' ' ' PHE . 49.8 m -52.45 -58.24 7.33 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 0.0 109.961 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 58' ' ' ALA . . . . . 0.417 ' O ' ' O ' ' A' ' 55' ' ' PHE . . . -110.59 166.62 10.86 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.557 1.16 . . . . 0.0 109.332 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 91.8 m-20 -88.1 135.33 33.48 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.585 1.178 . . . . 0.0 109.302 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.758 HD23 ' N ' ' A' ' 61' ' ' ILE . 3.8 tt -127.24 126.93 43.59 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.475 1.109 . . . . 0.0 109.267 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.758 ' N ' HD23 ' A' ' 60' ' ' LEU . 0.2 OUTLIER -150.81 160.79 3.92 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.518 1.136 . . . . 0.0 109.355 179.959 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 62' ' ' THR . . . . . 0.453 ' HB ' ' CD1' ' A' ' 32' ' ' TRP . 7.3 p -108.07 151.14 26.26 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.42 1.075 . . . . 0.0 110.339 -179.954 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 63' ' ' VAL . . . . . 0.44 HG22 ' HB ' ' A' ' 92' ' ' VAL . 2.6 t -124.72 143.98 36.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.548 1.155 . . . . 0.0 109.267 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 64' ' ' ALA . . . . . 0.446 ' N ' ' O ' ' A' ' 92' ' ' VAL . . . -133.86 148.31 51.26 Favored 'General case' 0 C--N 1.327 -0.401 0 O-C-N 124.436 1.085 . . . . 0.0 109.334 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 65' ' ' SER . . . . . 0.47 ' CB ' ' HB3' ' A' ' 68' ' ' PHE . 10.9 m -120.27 108.28 38.24 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.432 1.082 . . . . 0.0 109.985 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 66' ' ' PRO . . . . . 0.426 ' HA ' ' O ' ' A' ' 72' ' ' LYS . 18.3 Cg_endo -75.0 134.47 17.85 Favored 'Trans proline' 0 C--N 1.359 1.082 0 O-C-N 124.473 1.775 . . . . 0.0 110.998 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 67.46 14.72 64.96 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.518 1.136 . . . . 0.0 110.915 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 68' ' ' PHE . . . . . 0.749 ' CE2' HD23 ' A' ' 69' ' ' LEU . 65.7 t80 -124.22 145.97 49.02 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.526 0.78 . . . . 0.0 111.017 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.749 HD23 ' CE2' ' A' ' 68' ' ' PHE . 0.2 OUTLIER 54.34 47.2 23.49 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.503 1.127 . . . . 0.0 109.285 179.927 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 18.3 m-70 50.97 41.0 26.66 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.515 1.134 . . . . 0.0 109.624 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 71' ' ' GLU . . . . . 0.423 ' CB ' ' O ' ' A' ' 68' ' ' PHE . 14.5 tp10 -103.75 161.27 14.07 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.49 1.119 . . . . 0.0 110.327 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 72' ' ' LYS . . . . . 0.426 ' O ' ' HA ' ' A' ' 66' ' ' PRO . 6.9 mmtt -57.39 132.14 52.19 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.422 1.076 . . . . 0.0 109.314 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 47.4 mtmt -62.69 158.6 18.08 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.521 1.138 . . . . 0.0 109.262 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -49.2 157.92 0.41 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.536 1.148 . . . . 0.0 109.306 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 76.68 -53.33 3.26 Favored Glycine 0 CA--C 1.531 1.061 0 O-C-N 124.481 1.113 . . . . 0.0 110.975 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -61.24 -52.03 66.46 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.533 0.784 . . . . 0.0 109.315 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 35.1 t80 -59.62 -27.36 66.25 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.555 1.159 . . . . 0.0 110.874 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 5.6 mt-30 -70.78 -28.73 64.88 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.496 1.123 . . . . 0.0 110.253 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.42 -39.57 62.54 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.475 1.109 . . . . 0.0 109.346 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 80' ' ' TRP . . . . . 0.575 ' CE3' ' OG ' ' A' ' 34' ' ' SER . 3.7 t90 . . . . . 0 C--N 1.324 -0.523 0 N-CA-C 107.932 -1.136 . . . . 0.0 107.932 -179.855 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.288 0 N-CA-C 109.23 -0.656 . . . . 0.0 109.23 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 89' ' ' LEU . . . . . 0.518 ' CD2' HG23 ' A' ' 91' ' ' VAL . 0.0 OUTLIER -94.43 146.28 31.23 Favored Pre-proline 0 C--N 1.324 -0.521 0 O-C-N 124.529 1.143 . . . . 0.0 109.232 -179.925 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.96 127.82 11.02 Favored 'Trans proline' 0 C--N 1.361 1.21 0 O-C-N 124.469 1.773 . . . . 0.0 110.999 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 91' ' ' VAL . . . . . 0.518 HG23 ' CD2' ' A' ' 89' ' ' LEU . 37.1 t -139.13 118.64 13.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.54 1.15 . . . . 0.0 109.312 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 92' ' ' VAL . . . . . 0.592 HG22 HG22 ' A' ' 11' ' ' THR . 80.5 t -107.97 143.22 18.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 O-C-N 124.514 1.134 . . . . 0.0 109.252 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 3.1 p -128.15 116.07 19.37 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.434 1.084 . . . . 0.0 110.413 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 94' ' ' ASP . . . . . 0.449 ' HA ' HD11 ' A' ' 9' ' ' LEU . 60.8 t0 -114.89 111.47 21.24 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.448 1.093 . . . . 0.0 109.29 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -57.91 112.3 1.45 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.521 1.138 . . . . 0.0 109.256 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 86.29 -16.3 44.78 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.499 1.124 . . . . 0.0 111.042 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 61.35 67.28 2.19 Favored Glycine 0 CA--C 1.53 1.002 0 N-CA-C 111.001 -0.84 . . . . 0.0 111.001 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 98' ' ' THR . . . . . 0.473 ' O ' ' CB ' ' A' ' 102' ' ' SER . 1.3 m -60.04 -30.3 69.09 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.515 0.773 . . . . 0.0 110.37 -179.952 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 3.3 mt -80.77 -36.14 15.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.431 1.082 . . . . 0.0 109.282 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 100' ' ' ALA . . . . . 0.467 ' HA ' HD12 ' A' ' 105' ' ' ILE . . . -74.18 -38.48 63.64 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.497 1.123 . . . . 0.0 109.309 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 2.5 tt0 -77.38 -32.82 55.18 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.472 1.107 . . . . 0.0 110.288 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 102' ' ' SER . . . . . 0.473 ' CB ' ' O ' ' A' ' 98' ' ' THR . 29.0 t -72.68 -20.67 61.2 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.421 1.076 . . . . 0.0 109.99 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 103' ' ' LEU . . . . . 0.41 HD21 HG21 ' A' ' 120' ' ' VAL . 80.6 mt -106.12 -7.48 17.93 Favored 'General case' 0 C--N 1.327 -0.411 0 O-C-N 124.413 1.071 . . . . 0.0 109.325 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 58.5 t30 65.7 55.99 0.95 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.5 1.125 . . . . 0.0 109.366 -179.919 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 105' ' ' ILE . . . . . 0.543 ' CD1' ' CZ ' ' A' ' 31' ' ' PHE . 79.1 mt -97.14 117.55 41.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.468 1.105 . . . . 0.0 109.285 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 5.2 p -142.1 30.9 1.59 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.481 1.113 . . . . 0.0 110.01 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 1.5 p -147.35 132.32 11.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.53 1.144 . . . . 0.0 109.271 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 108' ' ' TYR . . . . . 0.581 ' CE1' ' HB3' ' A' ' 31' ' ' PHE . 22.5 m-85 -131.42 152.62 80.82 Favored Pre-proline 0 C--N 1.326 -0.44 0 O-C-N 124.497 1.123 . . . . 0.0 111.039 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 109' ' ' PRO . . . . . 0.524 ' C ' ' HA ' ' A' ' 108' ' ' TYR . 18.3 Cg_endo -74.92 167.74 79.48 Favored 'Cis proline' 0 C--N 1.358 1.057 0 C-N-CA 121.047 -2.48 . . . . 0.0 111.043 -0.06 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 110' ' ' SER . . . . . 0.418 ' O ' ' HA ' ' A' ' 30' ' ' LYS . 0.6 OUTLIER -142.82 157.45 44.6 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.51 1.131 . . . . 0.0 110.031 179.965 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 111' ' ' TRP . . . . . 0.571 ' CZ3' ' HB2' ' A' ' 30' ' ' LYS . 93.4 m95 -132.49 140.3 48.3 Favored 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 107.947 -1.131 . . . . 0.0 107.947 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 112' ' ' ALA . . . . . 0.698 ' HB3' ' HB ' ' A' ' 29' ' ' ILE . . . -124.51 138.25 54.35 Favored 'General case' 0 C--N 1.327 -0.398 0 O-C-N 124.525 1.141 . . . . 0.0 109.275 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 113' ' ' LEU . . . . . 0.431 ' O ' HD13 ' A' ' 114' ' ' ILE . 43.3 tp -109.02 134.25 51.92 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.397 1.061 . . . . 0.0 109.295 -179.95 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 114' ' ' ILE . . . . . 0.596 HD13 ' HA ' ' A' ' 120' ' ' VAL . 45.4 mm -123.09 131.15 73.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.537 1.148 . . . . 0.0 109.238 -179.95 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -62.82 172.15 10.77 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.554 1.159 . . . . 0.0 111.04 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.97 -11.78 61.12 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.418 0.717 . . . . 0.0 109.255 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -88.69 -12.47 42.25 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.535 1.147 . . . . 0.0 109.181 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . 88.74 33.31 10.1 Favored Glycine 0 CA--C 1.531 1.075 0 O-C-N 124.552 1.157 . . . . 0.0 111.045 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -124.38 154.01 41.0 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.514 0.773 . . . . 0.0 109.36 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 120' ' ' VAL . . . . . 0.596 ' HA ' HD13 ' A' ' 114' ' ' ILE . 0.3 OUTLIER -54.28 117.96 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.473 1.108 . . . . 0.0 109.348 179.985 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 2.0 tt0 -97.45 -51.71 4.05 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.5 1.125 . . . . 0.0 110.293 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -156.71 140.98 16.55 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.488 1.117 . . . . 0.0 110.328 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 123' ' ' ILE . . . . . . . . . . . . . 20.6 tt -104.56 138.25 30.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.459 1.099 . . . . 0.0 109.322 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 57.8 t -126.93 138.76 53.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.425 1.078 . . . . 0.0 109.306 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -118.73 126.78 52.64 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.441 1.088 . . . . 0.0 109.31 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . 119.6 -138.96 13.68 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.51 1.131 . . . . 0.0 111.017 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -139.19 157.52 45.79 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.525 0.779 . . . . 0.0 110.04 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 128' ' ' ILE . . . . . 0.41 ' HA ' ' OE1' ' A' ' 132' ' ' GLN . 4.7 pt -129.04 167.0 25.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.584 1.177 . . . . 0.0 109.314 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 129' ' ' ASN . . . . . 0.686 HD22 ' HB3' ' A' ' 131' ' ' ALA . 1.2 p-10 -107.43 163.42 13.06 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.48 1.112 . . . . 0.0 109.188 -179.878 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 130' ' ' GLU . . . . . 0.402 ' HB2' ' CE2' ' A' ' 49' ' ' TRP . 23.4 tt0 -53.61 -34.91 60.11 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.505 1.128 . . . . 0.0 110.314 179.934 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 131' ' ' ALA . . . . . 0.686 ' HB3' HD22 ' A' ' 129' ' ' ASN . . . -65.41 -49.04 70.74 Favored 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.417 1.073 . . . . 0.0 109.241 -179.94 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 132' ' ' GLN . . . . . 0.41 ' OE1' ' HA ' ' A' ' 128' ' ' ILE . 37.2 mt-30 -51.54 -43.75 62.43 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.536 1.148 . . . . 0.0 110.313 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 133' ' ' ALA . . . . . 0.431 ' CB ' ' CZ ' ' A' ' 55' ' ' PHE . . . -57.88 -37.11 73.38 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.571 1.17 . . . . 0.0 109.341 179.941 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 134' ' ' LEU . . . . . 0.459 ' CD2' ' HB3' ' A' ' 54' ' ' LYS . 16.8 mt . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.471 1.107 . . . . 0.0 109.295 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.421 HD11 ' HA ' ' A' ' 94' ' ' ASP . 2.4 mm? . . . . . 0 N--CA 1.453 -0.276 0 N-CA-C 109.285 -0.635 . . . . 0.0 109.285 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 2.8 mtmm -118.78 158.18 26.11 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.433 1.083 . . . . 0.0 109.357 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 13.6 p -88.44 -177.61 5.66 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.512 1.132 . . . . 0.0 110.403 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -74.6 -4.42 37.0 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.39 1.056 . . . . 0.0 109.246 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -103.51 20.59 17.61 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.546 1.153 . . . . 0.0 109.348 179.87 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 55.72 31.53 17.65 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.497 1.123 . . . . 0.0 109.352 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 38.8 mtt180 -111.89 149.13 40.37 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.528 1.143 . . . . 0.0 110.267 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 132.36 15.33 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.479 1.778 . . . . 0.0 110.988 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -67.65 -16.44 64.16 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.487 1.117 . . . . 0.0 109.256 -179.938 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -60.56 -18.74 54.49 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.518 1.136 . . . . 0.0 109.972 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 71.8 t -74.96 -17.58 16.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.539 1.149 . . . . 0.0 109.301 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' TYR . . . . . 0.475 ' CZ ' ' HB3' ' A' ' 90' ' ' PRO . 27.2 m-85 -103.71 18.66 21.43 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.558 1.162 . . . . 0.0 111.13 179.877 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.82 HD11 HG21 ' A' ' 27' ' ' THR . 0.0 OUTLIER -145.98 120.36 9.64 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.61 1.194 . . . . 0.0 109.232 -179.917 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 22' ' ' LYS . . . . . 0.447 ' CB ' ' O ' ' A' ' 21' ' ' LEU . 1.5 mmtp 168.15 -173.49 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.516 1.135 . . . . 0.0 109.388 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.402 ' O ' ' C ' ' A' ' 24' ' ' ASP . 0.1 OUTLIER 65.41 20.44 11.76 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.48 1.112 . . . . 0.0 109.319 179.994 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 24' ' ' ASP . . . . . 0.402 ' C ' ' O ' ' A' ' 23' ' ' LYS . 0.7 OUTLIER 40.42 39.2 0.66 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.476 1.11 . . . . 0.0 109.313 -179.964 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.411 ' HB2' ' HD2' ' A' ' 26' ' ' PRO . 0.0 OUTLIER -105.54 171.22 5.08 Favored Pre-proline 0 C--N 1.324 -0.539 0 O-C-N 124.508 1.13 . . . . 0.0 109.33 179.965 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 26' ' ' PRO . . . . . 0.411 ' HD2' ' HB2' ' A' ' 25' ' ' LYS . 18.1 Cg_endo -75.01 153.5 41.75 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.484 1.781 . . . . 0.0 111.006 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 27' ' ' THR . . . . . 0.82 HG21 HD11 ' A' ' 21' ' ' LEU . 52.5 m -130.15 140.78 50.73 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.487 1.117 . . . . 0.0 110.416 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 9.6 tp -121.05 121.55 38.17 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.52 1.137 . . . . 0.0 109.242 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.468 ' CG2' HG23 ' A' ' 63' ' ' VAL . 2.8 mt -109.78 147.78 13.9 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 O-C-N 124.43 1.081 . . . . 0.0 109.304 179.924 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.539 ' HB2' ' CE3' ' A' ' 111' ' ' TRP . 7.0 tttp -139.22 129.23 25.08 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.552 1.158 . . . . 0.0 109.28 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 31' ' ' PHE . . . . . 0.535 ' HB3' ' CE1' ' A' ' 108' ' ' TYR . 23.7 m-85 -101.16 146.13 27.9 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.452 1.095 . . . . 0.0 110.988 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 32' ' ' TRP . . . . . 0.586 ' CE3' ' SG ' ' A' ' 39' ' ' CYS . 0.3 OUTLIER -166.34 159.24 14.62 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.544 1.153 . . . . 0.0 108.019 179.985 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 33' ' ' ALA . . . . . 0.559 ' HB1' ' CD1' ' A' ' 35' ' ' TRP . . . -109.74 156.45 20.28 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.507 1.13 . . . . 0.0 109.333 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 34' ' ' SER . . . . . 0.566 ' HB3' ' CZ3' ' A' ' 80' ' ' TRP . 3.7 t -79.47 -19.49 49.66 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.602 1.189 . . . . 0.0 109.98 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 35' ' ' TRP . . . . . 0.559 ' CD1' ' HB1' ' A' ' 33' ' ' ALA . 22.1 p-90 -77.0 -16.64 59.26 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 108.025 -1.102 . . . . 0.0 108.025 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 36' ' ' CYS . . . . . 0.597 ' SG ' HD23 ' A' ' 38' ' ' LEU . 51.1 t -75.19 133.11 75.43 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.518 1.136 . . . . 0.0 108.345 179.89 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 -44.31 0.35 Allowed 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.495 1.787 . . . . 0.0 111.051 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.597 HD23 ' SG ' ' A' ' 36' ' ' CYS . 0.2 OUTLIER -61.07 -33.23 73.0 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.573 1.17 . . . . 0.0 109.33 179.928 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 39' ' ' CYS . . . . . 0.586 ' SG ' ' CE3' ' A' ' 32' ' ' TRP . 7.2 t -64.2 -56.71 12.77 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.601 1.188 . . . . 0.0 108.304 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.401 HD23 HD11 ' A' ' 43' ' ' LEU . 29.1 mt -50.88 -44.39 59.79 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.53 1.144 . . . . 0.0 109.3 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 81.1 p -73.01 -24.99 60.81 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.427 1.079 . . . . 0.0 109.957 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 42' ' ' GLU . . . . . 0.439 ' HG3' HD12 ' A' ' 38' ' ' LEU . 5.1 mt-10 -82.14 -13.79 56.68 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.553 1.158 . . . . 0.0 110.22 -179.888 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.401 HD11 HD23 ' A' ' 40' ' ' LEU . 34.5 mt -44.15 -50.85 8.48 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.551 1.157 . . . . 0.0 109.313 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -67.24 -53.92 23.22 Favored Glycine 0 CA--C 1.529 0.931 0 O-C-N 124.579 1.174 . . . . 0.0 110.999 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 15.0 tt0 -51.61 -40.77 60.51 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.473 0.749 . . . . 0.0 110.317 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 60.0 m -67.64 -43.01 81.36 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.564 1.165 . . . . 0.0 110.482 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 47' ' ' GLU . . . . . 0.444 ' CG ' ' HB2' ' A' ' 89' ' ' LEU . 47.2 tt0 -71.43 -28.63 64.12 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.5 1.125 . . . . 0.0 110.291 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 5.7 tttt -77.79 -36.47 50.37 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.393 1.058 . . . . 0.0 109.307 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 49' ' ' TRP . . . . . . . . . . . . . 19.6 m0 -68.49 -41.6 79.84 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.507 1.129 . . . . 0.0 108.017 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -63.73 -13.12 40.64 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.483 1.114 . . . . 0.0 109.359 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 2.9 mm-40 -100.06 -17.83 17.28 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.473 1.108 . . . . 0.0 110.272 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 52' ' ' ASP . . . . . 0.6 ' OD1' ' CD1' ' A' ' 55' ' ' PHE . 6.4 t0 -59.11 123.38 16.44 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.496 1.122 . . . . 0.0 109.245 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -55.06 -50.03 70.14 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.519 1.137 . . . . 0.0 109.259 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 9.1 mtpp -49.06 -46.04 43.89 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.58 1.175 . . . . 0.0 109.296 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 55' ' ' PHE . . . . . 0.6 ' CD1' ' OD1' ' A' ' 52' ' ' ASP . 14.5 m-30 -76.88 -27.82 55.14 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.48 1.113 . . . . 0.0 110.977 -179.944 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 56' ' ' SER . . . . . 0.44 ' N ' ' O ' ' A' ' 52' ' ' ASP . 14.3 t -45.98 -39.95 9.71 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.47 1.106 . . . . 0.0 110.008 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 57' ' ' SER . . . . . 0.402 ' C ' ' O ' ' A' ' 56' ' ' SER . 71.2 m -38.8 -64.43 0.44 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.395 1.06 . . . . 0.0 109.98 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -88.29 166.05 14.58 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.525 1.141 . . . . 0.0 109.29 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 59' ' ' ASN . . . . . 0.734 ' HB2' HG23 ' A' ' 27' ' ' THR . 0.8 OUTLIER -88.58 122.21 31.79 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.563 1.164 . . . . 0.0 109.263 -179.97 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.829 HD23 ' N ' ' A' ' 61' ' ' ILE . 3.3 tt -112.96 129.58 56.43 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.495 1.122 . . . . 0.0 109.301 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.829 ' N ' HD23 ' A' ' 60' ' ' LEU . 1.0 OUTLIER -153.4 163.0 2.0 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.622 1.201 . . . . 0.0 109.241 -179.954 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 62' ' ' THR . . . . . 0.453 HG23 ' O ' ' A' ' 90' ' ' PRO . 6.2 p -112.78 158.86 19.59 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.489 1.118 . . . . 0.0 110.489 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 63' ' ' VAL . . . . . 0.468 HG23 ' CG2' ' A' ' 29' ' ' ILE . 45.4 t -123.35 138.59 52.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.495 1.122 . . . . 0.0 109.268 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 64' ' ' ALA . . . . . 0.409 ' O ' ' HA ' ' A' ' 93' ' ' THR . . . -134.34 123.5 24.25 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.511 1.132 . . . . 0.0 109.204 -179.913 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 65' ' ' SER . . . . . 0.4 ' CB ' ' HB3' ' A' ' 68' ' ' PHE . 5.1 t -103.45 107.59 56.45 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.47 1.106 . . . . 0.0 110.055 179.947 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -75.01 136.99 21.1 Favored 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.476 1.777 . . . . 0.0 111.026 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 68.31 10.8 60.56 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.492 1.12 . . . . 0.0 110.981 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 68' ' ' PHE . . . . . 0.595 ' CE2' HD23 ' A' ' 69' ' ' LEU . 76.9 t80 -127.44 136.71 52.19 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.58 0.812 . . . . 0.0 111.056 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.595 HD23 ' CE2' ' A' ' 68' ' ' PHE . 0.2 OUTLIER 66.94 47.49 1.42 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.487 1.117 . . . . 0.0 109.294 179.994 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER 54.44 26.72 7.38 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.471 1.107 . . . . 0.0 109.555 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 71' ' ' GLU . . . . . 0.422 ' HG3' ' N ' ' A' ' 72' ' ' LYS . 26.6 tp10 -87.93 162.41 16.91 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.571 1.17 . . . . 0.0 110.316 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 72' ' ' LYS . . . . . 0.422 ' N ' ' HG3' ' A' ' 71' ' ' GLU . 0.4 OUTLIER -69.95 137.81 51.8 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.443 1.089 . . . . 0.0 109.267 179.972 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.06 156.74 20.61 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.559 1.162 . . . . 0.0 109.324 179.89 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -50.45 162.09 0.26 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.479 1.112 . . . . 0.0 109.269 179.945 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 78.84 -51.66 3.82 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.531 1.144 . . . . 0.0 111.023 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -68.91 -50.93 45.26 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.519 0.776 . . . . 0.0 109.267 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 77' ' ' PHE . . . . . 0.431 ' CE2' ' HB2' ' A' ' 34' ' ' SER . 12.0 t80 -58.18 -26.44 62.76 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.495 1.122 . . . . 0.0 110.97 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 7.9 mt-30 -70.11 -43.66 70.58 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.523 1.139 . . . . 0.0 110.231 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.57 -26.98 62.84 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.497 1.123 . . . . 0.0 109.299 -179.934 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 80' ' ' TRP . . . . . 0.566 ' CZ3' ' HB3' ' A' ' 34' ' ' SER . 7.5 t90 . . . . . 0 C--N 1.325 -0.493 0 O-C-N 124.506 1.129 . . . . 0.0 107.99 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.251 0 N-CA-C 109.258 -0.645 . . . . 0.0 109.258 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 89' ' ' LEU . . . . . 0.812 HD12 ' HD2' ' A' ' 90' ' ' PRO . 1.3 tp -95.15 132.84 27.16 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.573 1.17 . . . . 0.0 109.333 179.936 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 90' ' ' PRO . . . . . 0.812 ' HD2' HD12 ' A' ' 89' ' ' LEU . 18.2 Cg_endo -75.1 128.86 11.73 Favored 'Trans proline' 0 C--N 1.361 1.205 0 O-C-N 124.484 1.781 . . . . 0.0 110.997 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 98.4 t -150.45 119.4 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.537 1.148 . . . . 0.0 109.335 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 52.4 t -105.97 129.33 59.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.511 1.132 . . . . 0.0 109.361 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 93' ' ' THR . . . . . 0.409 ' HA ' ' O ' ' A' ' 64' ' ' ALA . 1.7 p -108.97 112.14 24.18 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.49 1.119 . . . . 0.0 110.425 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 94' ' ' ASP . . . . . 0.476 ' OD2' HD12 ' A' ' 99' ' ' ILE . 62.6 t0 -114.69 110.76 20.24 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.532 1.145 . . . . 0.0 109.318 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 38.8 t-20 -59.0 116.25 3.68 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.543 1.152 . . . . 0.0 109.308 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 87.91 -21.16 24.82 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.461 1.101 . . . . 0.0 110.99 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 66.87 68.04 1.79 Allowed Glycine 0 CA--C 1.531 1.032 0 N-CA-C 111.027 -0.829 . . . . 0.0 111.027 179.909 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 98' ' ' THR . . . . . 0.501 ' O ' ' CB ' ' A' ' 102' ' ' SER . 1.5 m -61.45 -32.71 72.7 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.604 0.826 . . . . 0.0 110.437 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 99' ' ' ILE . . . . . 0.476 HD12 ' OD2' ' A' ' 94' ' ' ASP . 2.9 mt -78.54 -35.75 19.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 O-C-N 124.45 1.094 . . . . 0.0 109.318 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -70.39 -51.95 26.0 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.532 1.145 . . . . 0.0 109.309 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 11.0 pt20 -68.23 -28.31 67.12 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.437 1.085 . . . . 0.0 110.267 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 102' ' ' SER . . . . . 0.501 ' CB ' ' O ' ' A' ' 98' ' ' THR . 2.1 t -60.8 -39.61 89.56 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.503 1.127 . . . . 0.0 109.998 179.919 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 103' ' ' LEU . . . . . 0.687 HD13 HD12 ' A' ' 123' ' ' ILE . 11.1 mt -101.48 6.52 42.42 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.527 1.142 . . . . 0.0 109.299 -179.919 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 24.5 t-20 59.86 58.51 2.76 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.449 1.093 . . . . 0.0 109.338 -179.928 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 105' ' ' ILE . . . . . 0.468 ' CD1' ' CB ' ' A' ' 103' ' ' LEU . 1.7 mp -89.45 114.52 27.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.531 1.144 . . . . 0.0 109.273 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 51.8 p -138.86 25.29 2.55 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.488 1.117 . . . . 0.0 109.915 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 1.4 p -146.16 132.66 14.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 O-C-N 124.589 1.18 . . . . 0.0 109.314 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 108' ' ' TYR . . . . . 0.541 ' HA ' ' C ' ' A' ' 109' ' ' PRO . 13.8 m-30 -129.2 153.11 80.38 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.409 1.068 . . . . 0.0 111.02 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 109' ' ' PRO . . . . . 0.541 ' C ' ' HA ' ' A' ' 108' ' ' TYR . 18.1 Cg_endo -75.02 170.01 73.01 Favored 'Cis proline' 0 C--N 1.36 1.169 0 C-N-CA 120.948 -2.522 . . . . 0.0 110.957 0.004 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 110' ' ' SER . . . . . 0.416 ' O ' ' HA ' ' A' ' 30' ' ' LYS . 0.1 OUTLIER -136.84 162.7 32.5 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.507 1.13 . . . . 0.0 110.051 179.984 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 111' ' ' TRP . . . . . 0.539 ' CE3' ' HB2' ' A' ' 30' ' ' LYS . 78.4 m95 -142.5 142.77 32.31 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.537 1.148 . . . . 0.0 107.903 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 112' ' ' ALA . . . . . 0.415 ' HB3' ' HB ' ' A' ' 29' ' ' ILE . . . -135.94 135.22 39.45 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.492 1.12 . . . . 0.0 109.313 179.923 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 34.8 tp -108.5 133.41 52.69 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.459 1.1 . . . . 0.0 109.369 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 114' ' ' ILE . . . . . 0.459 ' CG2' ' HA2' ' A' ' 118' ' ' GLY . 22.2 mm -120.22 115.44 47.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 O-C-N 124.518 1.136 . . . . 0.0 109.315 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -44.88 170.52 0.01 OUTLIER Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.531 1.144 . . . . 0.0 110.98 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 1.7 ptmt -70.18 -11.14 60.69 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.422 0.719 . . . . 0.0 109.331 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -90.73 -24.27 20.45 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.511 1.132 . . . . 0.0 109.34 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 118' ' ' GLY . . . . . 0.459 ' HA2' ' CG2' ' A' ' 114' ' ' ILE . . . 104.54 20.51 10.09 Favored Glycine 0 CA--C 1.532 1.094 0 O-C-N 124.408 1.068 . . . . 0.0 110.944 179.923 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 2.3 p-10 -108.11 149.24 28.74 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.596 0.821 . . . . 0.0 109.315 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 73.9 t -54.14 111.5 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.53 1.144 . . . . 0.0 109.345 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 1.2 tp-100 -89.35 -55.04 3.82 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.483 1.114 . . . . 0.0 110.225 -179.908 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 1.8 ttm180 -154.29 153.53 31.84 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.486 1.117 . . . . 0.0 110.255 -179.936 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 123' ' ' ILE . . . . . 0.687 HD12 HD13 ' A' ' 103' ' ' LEU . 11.8 tt -122.62 134.78 64.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.425 1.078 . . . . 0.0 109.275 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 53.9 t -125.81 135.87 62.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.523 1.14 . . . . 0.0 109.295 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -118.58 117.63 29.51 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.493 1.121 . . . . 0.0 109.314 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . 129.92 -147.6 18.11 Favored Glycine 0 CA--C 1.529 0.921 0 O-C-N 124.495 1.122 . . . . 0.0 110.987 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 1.2 m -124.23 141.51 52.0 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.465 0.744 . . . . 0.0 110.011 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 128' ' ' ILE . . . . . 0.404 ' HA ' ' OE1' ' A' ' 132' ' ' GLN . 14.5 pt -116.41 165.48 11.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.477 1.111 . . . . 0.0 109.337 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 129' ' ' ASN . . . . . 0.805 ' ND2' ' HB3' ' A' ' 131' ' ' ALA . 2.3 p-10 -106.97 171.02 7.6 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.462 1.101 . . . . 0.0 109.286 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -59.58 -34.39 72.65 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.421 1.076 . . . . 0.0 110.351 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 131' ' ' ALA . . . . . 0.805 ' HB3' ' ND2' ' A' ' 129' ' ' ASN . . . -64.27 -51.75 62.0 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.435 1.084 . . . . 0.0 109.277 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 132' ' ' GLN . . . . . 0.404 ' OE1' ' HA ' ' A' ' 128' ' ' ILE . 38.3 mt-30 -50.86 -45.98 60.06 Favored 'General case' 0 C--N 1.327 -0.397 0 O-C-N 124.501 1.125 . . . . 0.0 110.264 -179.885 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -52.35 -50.05 63.11 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.455 1.097 . . . . 0.0 109.296 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 19.1 mt . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.576 1.172 . . . . 0.0 109.312 -179.952 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.655 ' O ' ' HB2' ' A' ' 17' ' ' ALA . 0.5 OUTLIER . . . . . 0 N--CA 1.454 -0.254 0 N-CA-C 109.286 -0.635 . . . . 0.0 109.286 . . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 3.9 mmtp -90.72 147.9 22.94 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.465 1.103 . . . . 0.0 109.297 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 11' ' ' THR . . . . . 0.561 HG22 HG22 ' A' ' 92' ' ' VAL . 16.0 p -82.87 170.77 14.62 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.466 1.104 . . . . 0.0 110.406 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -62.65 -15.42 51.92 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.559 1.162 . . . . 0.0 109.309 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -87.8 10.46 18.37 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.382 1.051 . . . . 0.0 109.281 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 60.32 37.02 20.5 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.471 1.107 . . . . 0.0 109.33 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 3.7 mtm-85 -116.08 149.44 43.41 Favored Pre-proline 0 C--N 1.324 -0.543 0 O-C-N 124.573 1.171 . . . . 0.0 110.325 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 133.82 17.12 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.439 1.757 . . . . 0.0 111.038 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' ALA . . . . . 0.655 ' HB2' ' O ' ' A' ' 9' ' ' LEU . . . -53.8 -29.3 39.89 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.498 1.124 . . . . 0.0 109.318 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 1.8 t -51.21 -32.61 24.43 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.546 1.154 . . . . 0.0 110.035 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 85.7 t -54.23 -34.79 28.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.47 1.106 . . . . 0.0 109.263 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 27.5 m-85 -117.19 20.01 13.91 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.541 1.151 . . . . 0.0 110.979 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -113.51 121.58 44.69 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.479 1.112 . . . . 0.0 109.263 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 2.9 mmtt -117.28 129.74 56.1 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.478 1.111 . . . . 0.0 109.267 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.96 17.79 2.28 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.514 1.134 . . . . 0.0 109.284 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 2.2 p30 -144.45 18.18 1.69 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.529 1.143 . . . . 0.0 109.297 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.421 ' NZ ' ' O ' ' A' ' 57' ' ' SER . 2.1 mmtp -146.66 154.45 48.16 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.498 1.124 . . . . 0.0 109.335 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.94 145.85 32.18 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.498 1.788 . . . . 0.0 111.044 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 84.9 m -122.7 122.24 38.29 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.491 1.119 . . . . 0.0 110.427 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.568 HD12 ' HA ' ' A' ' 113' ' ' LEU . 2.8 tp -106.98 131.45 54.03 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.482 1.114 . . . . 0.0 109.275 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.772 ' HB ' ' HB3' ' A' ' 112' ' ' ALA . 2.2 mt -115.29 147.28 18.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.535 1.147 . . . . 0.0 109.31 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.504 ' HD2' ' CE2' ' A' ' 111' ' ' TRP . 14.4 tttt -138.02 114.93 10.75 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.518 1.136 . . . . 0.0 109.37 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 31' ' ' PHE . . . . . 0.573 ' HB3' ' CE1' ' A' ' 108' ' ' TYR . 51.0 m-85 -86.76 123.18 31.63 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.491 1.119 . . . . 0.0 111.074 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 32' ' ' TRP . . . . . 0.931 ' CZ3' HD11 ' A' ' 43' ' ' LEU . 3.3 p-90 -123.17 168.62 12.17 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.512 1.132 . . . . 0.0 108.01 -179.94 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 33' ' ' ALA . . . . . 0.788 ' HB1' ' CE2' ' A' ' 35' ' ' TRP . . . -133.5 124.01 26.22 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.466 1.104 . . . . 0.0 109.299 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 34' ' ' SER . . . . . 0.561 ' OG ' ' CE3' ' A' ' 80' ' ' TRP . 0.3 OUTLIER -56.45 -21.28 24.45 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.417 1.073 . . . . 0.0 109.986 179.997 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 35' ' ' TRP . . . . . 0.788 ' CE2' ' HB1' ' A' ' 33' ' ' ALA . 16.2 p-90 -85.61 -21.19 28.58 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 107.988 -1.115 . . . . 0.0 107.988 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 36' ' ' CYS . . . . . 0.401 ' N ' ' O ' ' A' ' 33' ' ' ALA . 44.9 t -81.63 114.42 49.82 Favored Pre-proline 0 C--N 1.324 -0.514 0 O-C-N 124.551 1.157 . . . . 0.0 108.273 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.04 -41.62 0.62 Allowed 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.501 1.79 . . . . 0.0 111.027 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 1.8 tm? -59.27 -28.22 66.53 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.554 1.159 . . . . 0.0 109.302 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 39' ' ' CYS . . . . . 0.404 ' O ' ' N ' ' A' ' 43' ' ' LEU . 19.2 m -77.11 -53.04 8.27 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.576 1.173 . . . . 0.0 108.358 179.929 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.598 HD23 HD12 ' A' ' 43' ' ' LEU . 4.8 mt -51.38 -43.1 61.79 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.502 1.127 . . . . 0.0 109.266 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 5.3 p -69.27 -25.72 64.4 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.479 1.112 . . . . 0.0 109.997 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 42' ' ' GLU . . . . . 0.401 ' HG2' ' NZ ' ' A' ' 30' ' ' LYS . 1.8 tp10 -86.22 -20.81 27.96 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.521 1.138 . . . . 0.0 110.343 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.931 HD11 ' CZ3' ' A' ' 32' ' ' TRP . 60.2 mt -51.95 -54.82 25.11 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.544 1.153 . . . . 0.0 109.292 -179.929 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -48.88 -49.97 27.69 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.595 1.184 . . . . 0.0 110.982 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -57.28 -35.78 70.2 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.511 0.771 . . . . 0.0 110.348 179.917 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 86.7 m -70.16 -39.44 75.32 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.476 1.11 . . . . 0.0 110.425 179.934 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 47' ' ' GLU . . . . . 0.487 ' OE1' HD12 ' A' ' 89' ' ' LEU . 4.4 tt0 -53.81 -42.18 68.11 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.506 1.128 . . . . 0.0 110.326 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -71.88 -36.63 70.12 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.567 1.167 . . . . 0.0 109.286 179.915 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 49' ' ' TRP . . . . . . . . . . . . . 39.2 m0 -64.49 -34.71 78.84 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 107.998 -1.112 . . . . 0.0 107.998 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -70.14 -8.74 52.12 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.555 1.159 . . . . 0.0 109.32 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 59.4 mt-30 -111.57 -12.2 13.96 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.449 1.093 . . . . 0.0 110.322 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 52' ' ' ASP . . . . . 0.454 ' HB3' ' CD2' ' A' ' 55' ' ' PHE . 34.5 t0 -63.2 120.55 11.72 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.502 1.126 . . . . 0.0 109.262 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -56.05 -43.49 77.95 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.405 1.066 . . . . 0.0 109.285 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.99 -46.64 71.79 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.527 1.142 . . . . 0.0 109.351 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 55' ' ' PHE . . . . . 0.454 ' CD2' ' HB3' ' A' ' 52' ' ' ASP . 16.1 m-30 -77.64 -28.97 51.49 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.518 1.136 . . . . 0.0 111.002 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 56' ' ' SER . . . . . 0.433 ' O ' ' N ' ' A' ' 58' ' ' ALA . 69.1 m -46.73 -40.4 13.34 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.449 1.093 . . . . 0.0 109.945 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 57' ' ' SER . . . . . 0.421 ' O ' ' NZ ' ' A' ' 25' ' ' LYS . 13.7 t -39.39 -29.69 0.05 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.568 1.167 . . . . 0.0 110.04 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 58' ' ' ALA . . . . . 0.433 ' N ' ' O ' ' A' ' 56' ' ' SER . . . -123.92 166.16 16.15 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.555 1.159 . . . . 0.0 109.304 -179.95 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 28.6 m-20 -88.36 128.64 35.51 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.421 1.075 . . . . 0.0 109.322 179.925 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.768 HD23 ' N ' ' A' ' 61' ' ' ILE . 3.0 tt -120.84 125.06 46.56 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.558 1.161 . . . . 0.0 109.301 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.768 ' N ' HD23 ' A' ' 60' ' ' LEU . 2.9 pt -154.92 162.42 1.86 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.468 1.105 . . . . 0.0 109.348 179.89 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 62' ' ' THR . . . . . 0.498 ' HB ' ' CD1' ' A' ' 32' ' ' TRP . 35.1 p -111.07 155.12 23.27 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.514 1.134 . . . . 0.0 110.356 -179.865 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 63' ' ' VAL . . . . . 0.461 HG23 HG23 ' A' ' 29' ' ' ILE . 2.2 t -121.53 143.71 33.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.572 1.17 . . . . 0.0 109.236 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 64' ' ' ALA . . . . . 0.613 ' CB ' ' CZ ' ' A' ' 77' ' ' PHE . . . -134.68 137.3 43.45 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.591 1.182 . . . . 0.0 109.265 179.949 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 65' ' ' SER . . . . . 0.465 ' CB ' ' HB3' ' A' ' 68' ' ' PHE . 1.5 m -111.97 108.12 55.67 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.419 1.074 . . . . 0.0 110.013 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 66' ' ' PRO . . . . . 0.461 ' HA ' ' O ' ' A' ' 72' ' ' LYS . 18.3 Cg_endo -74.9 134.7 18.31 Favored 'Trans proline' 0 C--N 1.361 1.214 0 O-C-N 124.478 1.778 . . . . 0.0 111.047 179.942 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 66.55 8.15 44.58 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.585 1.178 . . . . 0.0 111.04 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 68' ' ' PHE . . . . . 0.672 ' CE2' HD23 ' A' ' 69' ' ' LEU . 75.1 t80 -126.01 130.32 50.96 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.472 0.748 . . . . 0.0 111.08 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.672 HD23 ' CE2' ' A' ' 68' ' ' PHE . 0.3 OUTLIER 76.79 23.84 0.99 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.53 1.144 . . . . 0.0 109.346 -179.907 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 31.6 m170 66.78 22.39 10.3 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.424 1.077 . . . . 0.0 109.588 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 71' ' ' GLU . . . . . 0.42 ' OE2' ' CD1' ' A' ' 35' ' ' TRP . 0.3 OUTLIER -86.13 149.7 24.94 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.548 1.155 . . . . 0.0 110.27 179.981 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 72' ' ' LYS . . . . . 0.461 ' O ' ' HA ' ' A' ' 66' ' ' PRO . 3.6 mmtt -38.89 154.72 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.501 1.126 . . . . 0.0 109.268 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -84.58 156.79 21.45 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.437 1.086 . . . . 0.0 109.363 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -49.11 143.98 5.38 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.529 1.143 . . . . 0.0 109.228 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 80.87 -50.7 4.18 Favored Glycine 0 CA--C 1.531 1.055 0 O-C-N 124.419 1.074 . . . . 0.0 111.031 179.924 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -69.24 -31.52 70.14 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.554 0.797 . . . . 0.0 109.212 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 77' ' ' PHE . . . . . 0.613 ' CZ ' ' CB ' ' A' ' 64' ' ' ALA . 17.4 t80 -77.52 -57.09 4.01 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.518 1.136 . . . . 0.0 111.051 179.926 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 18.2 pt20 -52.39 -25.97 11.26 Favored 'General case' 0 C--N 1.327 -0.404 0 O-C-N 124.564 1.165 . . . . 0.0 110.325 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 1.2 mttt -64.97 -47.72 76.59 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.428 1.08 . . . . 0.0 109.307 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 80' ' ' TRP . . . . . 0.561 ' CE3' ' OG ' ' A' ' 34' ' ' SER . 3.5 t90 . . . . . 0 C--N 1.325 -0.47 0 N-CA-C 107.997 -1.112 . . . . 0.0 107.997 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 28.5 mmtt . . . . . 0 N--CA 1.453 -0.293 0 N-CA-C 109.344 -0.613 . . . . 0.0 109.344 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 89' ' ' LEU . . . . . 0.679 HD23 ' HD2' ' A' ' 90' ' ' PRO . 0.4 OUTLIER -76.72 119.64 78.27 Favored Pre-proline 0 C--N 1.324 -0.522 0 O-C-N 124.501 1.126 . . . . 0.0 109.303 -180.0 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 90' ' ' PRO . . . . . 0.679 ' HD2' HD23 ' A' ' 89' ' ' LEU . 18.7 Cg_endo -75.0 128.55 11.57 Favored 'Trans proline' 0 C--N 1.359 1.109 0 O-C-N 124.541 1.811 . . . . 0.0 111.012 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 55.5 t -143.93 126.94 12.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.528 1.142 . . . . 0.0 109.285 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 92' ' ' VAL . . . . . 0.561 HG22 HG22 ' A' ' 11' ' ' THR . 78.0 t -115.78 140.97 35.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.561 1.163 . . . . 0.0 109.304 179.917 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 3.1 p -120.45 115.87 24.34 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.437 1.086 . . . . 0.0 110.336 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 94' ' ' ASP . . . . . 0.446 ' HB2' ' CD1' ' A' ' 9' ' ' LEU . 68.1 t0 -114.66 110.33 19.59 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.444 1.09 . . . . 0.0 109.349 179.887 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 14.5 t-20 -59.57 112.49 1.81 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.577 1.173 . . . . 0.0 109.236 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 88.65 -29.17 5.92 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.477 1.111 . . . . 0.0 110.977 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 76.37 71.41 1.18 Allowed Glycine 0 CA--C 1.529 0.934 0 N-CA-C 111.006 -0.838 . . . . 0.0 111.006 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 2.0 m -57.76 -40.16 79.11 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.48 0.753 . . . . 0.0 110.453 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 3.8 mt -81.42 -38.28 16.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.497 1.123 . . . . 0.0 109.297 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 100' ' ' ALA . . . . . 0.68 ' HA ' HD12 ' A' ' 105' ' ' ILE . . . -63.57 -44.98 92.49 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.578 1.174 . . . . 0.0 109.319 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 7.6 pt20 -73.89 -35.63 64.71 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.483 1.114 . . . . 0.0 110.356 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 1.1 m -61.35 -34.54 75.46 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.467 1.104 . . . . 0.0 109.93 -179.899 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 73.2 mt -99.96 12.33 37.08 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.471 1.107 . . . . 0.0 109.298 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 14.8 t-20 46.84 52.9 10.97 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.424 1.078 . . . . 0.0 109.307 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 105' ' ' ILE . . . . . 0.68 HD12 ' HA ' ' A' ' 100' ' ' ALA . 64.5 mt -88.62 129.44 39.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 O-C-N 124.582 1.176 . . . . 0.0 109.302 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 106' ' ' SER . . . . . 0.629 ' HA ' HD21 ' A' ' 69' ' ' LEU . 24.5 p -157.19 33.3 0.29 Allowed 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.494 1.122 . . . . 0.0 109.969 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 2.5 p -148.14 132.66 9.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.485 1.115 . . . . 0.0 109.257 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 108' ' ' TYR . . . . . 0.573 ' CE1' ' HB3' ' A' ' 31' ' ' PHE . 21.4 m-85 -130.88 152.46 80.65 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.513 1.133 . . . . 0.0 111.047 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 109' ' ' PRO . . . . . 0.531 ' C ' ' HA ' ' A' ' 108' ' ' TYR . 18.3 Cg_endo -75.12 159.2 98.23 Favored 'Cis proline' 0 C--N 1.36 1.14 0 C-N-CA 120.928 -2.53 . . . . 0.0 111.015 0.105 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 110' ' ' SER . . . . . 0.408 ' O ' ' HA ' ' A' ' 30' ' ' LYS . 0.4 OUTLIER -134.17 157.57 45.89 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.434 1.084 . . . . 0.0 109.966 -179.887 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 111' ' ' TRP . . . . . 0.504 ' CE2' ' HD2' ' A' ' 30' ' ' LYS . 67.0 m95 -131.18 141.04 50.02 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 107.976 -1.12 . . . . 0.0 107.976 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 112' ' ' ALA . . . . . 0.772 ' HB3' ' HB ' ' A' ' 29' ' ' ILE . . . -130.14 131.7 45.78 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.487 1.117 . . . . 0.0 109.263 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 113' ' ' LEU . . . . . 0.568 ' HA ' HD12 ' A' ' 28' ' ' LEU . 11.3 tp -108.43 132.92 53.29 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.463 1.102 . . . . 0.0 109.312 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 114' ' ' ILE . . . . . 0.728 HD13 ' HA ' ' A' ' 120' ' ' VAL . 43.8 mm -121.05 111.54 32.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.454 1.096 . . . . 0.0 109.325 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 115' ' ' GLY . . . . . 0.439 ' CA ' ' HG3' ' A' ' 121' ' ' GLN . . . -41.66 164.38 0.02 OUTLIER Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.567 1.167 . . . . 0.0 111.073 179.936 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.98 -12.2 47.44 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.53 0.782 . . . . 0.0 109.247 -179.932 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -81.64 -23.97 36.63 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.5 1.125 . . . . 0.0 109.298 -179.95 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . 99.29 34.95 4.9 Favored Glycine 0 CA--C 1.529 0.938 0 O-C-N 124.558 1.161 . . . . 0.0 111.013 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 1.6 p-10 -131.27 158.49 40.47 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.46 0.741 . . . . 0.0 109.3 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 120' ' ' VAL . . . . . 0.728 ' HA ' HD13 ' A' ' 114' ' ' ILE . 90.9 t -57.99 120.07 3.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.468 1.105 . . . . 0.0 109.287 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 121' ' ' GLN . . . . . 0.535 ' HB3' HD23 ' A' ' 113' ' ' LEU . 0.0 OUTLIER -100.58 -59.88 1.62 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.497 1.123 . . . . 0.0 110.284 -179.973 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -150.53 138.71 20.25 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.523 1.139 . . . . 0.0 110.392 179.926 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 123' ' ' ILE . . . . . 0.494 HD11 HG12 ' A' ' 105' ' ' ILE . 16.5 tt -111.64 127.66 68.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.55 1.156 . . . . 0.0 109.314 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 74.8 t -113.33 137.39 46.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.457 1.098 . . . . 0.0 109.267 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 12.5 pttt -105.97 134.74 48.61 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.505 1.128 . . . . 0.0 109.311 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . 104.5 -147.71 16.51 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.509 1.13 . . . . 0.0 110.988 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -123.15 155.93 36.04 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.444 0.732 . . . . 0.0 109.942 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 128' ' ' ILE . . . . . . . . . . . . . 15.1 pt -126.84 166.62 23.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 O-C-N 124.48 1.112 . . . . 0.0 109.284 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 129' ' ' ASN . . . . . . . . . . . . . 3.3 p30 -108.58 169.32 8.72 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.488 1.117 . . . . 0.0 109.323 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -51.17 -45.73 61.85 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.469 1.105 . . . . 0.0 110.375 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -50.79 -53.99 27.28 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.463 1.102 . . . . 0.0 109.306 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 8.2 mt-30 -50.93 -48.44 60.75 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.507 1.13 . . . . 0.0 110.259 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -49.8 -46.79 51.26 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.599 1.187 . . . . 0.0 109.299 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 42.8 mt . . . . . 0 C--N 1.324 -0.507 0 O-C-N 124.48 1.113 . . . . 0.0 109.292 179.989 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.865 ' O ' ' HB2' ' A' ' 17' ' ' ALA . 4.6 mm? . . . . . 0 N--CA 1.454 -0.255 0 N-CA-C 109.294 -0.632 . . . . 0.0 109.294 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 10' ' ' LYS . . . . . 0.417 ' HA ' ' O ' ' A' ' 15' ' ' ARG . 2.1 mttp -81.46 145.32 30.81 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.517 1.136 . . . . 0.0 109.377 179.948 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 25.4 p -79.18 170.98 15.84 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.482 1.114 . . . . 0.0 110.455 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -63.45 -12.28 30.21 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.516 1.135 . . . . 0.0 109.361 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 13' ' ' ASP . . . . . 0.439 ' OD1' ' N ' ' A' ' 13' ' ' ASP . 0.0 OUTLIER -98.64 26.34 5.68 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.544 1.153 . . . . 0.0 109.297 179.996 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 49.32 35.5 7.87 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.557 1.16 . . . . 0.0 109.238 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 15' ' ' ARG . . . . . 0.417 ' O ' ' HA ' ' A' ' 10' ' ' LYS . 0.0 OUTLIER -109.73 147.82 36.92 Favored Pre-proline 0 C--N 1.324 -0.517 0 O-C-N 124.542 1.151 . . . . 0.0 110.277 179.976 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 16' ' ' PRO . . . . . 0.465 ' HG2' HG23 ' A' ' 19' ' ' VAL . 18.4 Cg_endo -75.01 130.88 13.67 Favored 'Trans proline' 0 C--N 1.361 1.205 0 O-C-N 124.514 1.797 . . . . 0.0 111.007 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 17' ' ' ALA . . . . . 0.865 ' HB2' ' O ' ' A' ' 9' ' ' LEU . . . -57.84 -30.91 66.15 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.505 1.128 . . . . 0.0 109.358 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 8.6 t -49.63 -31.49 10.93 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.479 1.112 . . . . 0.0 109.939 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.465 HG23 ' HG2' ' A' ' 16' ' ' PRO . 94.0 t -57.74 -27.42 30.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.455 1.097 . . . . 0.0 109.355 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 13.1 m-85 -103.94 22.17 15.06 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.485 1.116 . . . . 0.0 110.994 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.484 HD11 HG21 ' A' ' 27' ' ' THR . 2.4 mp -146.37 102.87 3.64 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.5 1.125 . . . . 0.0 109.332 179.939 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 9.3 ptmt -176.29 177.86 1.45 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.493 1.121 . . . . 0.0 109.285 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 69.23 24.63 5.92 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.506 1.129 . . . . 0.0 109.23 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 61.0 m-20 47.05 36.24 4.04 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.591 1.182 . . . . 0.0 109.304 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.412 ' HD2' ' CD ' ' A' ' 26' ' ' PRO . 7.2 mmtm -100.35 159.26 30.21 Favored Pre-proline 0 C--N 1.323 -0.556 0 O-C-N 124.522 1.139 . . . . 0.0 109.336 -179.911 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 26' ' ' PRO . . . . . 0.412 ' CD ' ' HD2' ' A' ' 25' ' ' LYS . 18.2 Cg_endo -74.94 154.34 42.75 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.54 1.81 . . . . 0.0 110.968 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 27' ' ' THR . . . . . 0.484 HG21 HD11 ' A' ' 21' ' ' LEU . 91.4 m -128.56 135.18 49.02 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.486 1.116 . . . . 0.0 110.44 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 4.9 tp -113.73 134.94 54.45 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.447 1.092 . . . . 0.0 109.336 179.906 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.436 HG23 HG23 ' A' ' 63' ' ' VAL . 5.6 mm -115.14 146.74 19.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.517 1.136 . . . . 0.0 109.342 179.942 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.573 ' HB2' ' CE3' ' A' ' 111' ' ' TRP . 24.5 tttt -138.8 122.08 17.05 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.501 1.125 . . . . 0.0 109.328 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 31' ' ' PHE . . . . . 0.684 ' CZ ' ' CD1' ' A' ' 105' ' ' ILE . 49.0 m-85 -93.86 131.38 39.32 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.445 1.09 . . . . 0.0 110.979 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 32' ' ' TRP . . . . . 1.046 ' CZ3' HD11 ' A' ' 43' ' ' LEU . 12.7 p-90 -138.37 170.9 15.21 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.512 1.133 . . . . 0.0 107.991 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -134.06 153.61 51.69 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.434 1.084 . . . . 0.0 109.247 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 34' ' ' SER . . . . . 0.514 ' O ' HD11 ' A' ' 40' ' ' LEU . 0.5 OUTLIER -78.21 -32.29 49.84 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.469 1.106 . . . . 0.0 110.028 -179.971 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 51.1 p-90 -78.48 -3.86 45.62 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 107.999 -1.111 . . . . 0.0 107.999 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 36' ' ' CYS . . . . . 0.592 ' O ' HD12 ' A' ' 40' ' ' LEU . 41.8 t -98.63 118.1 63.61 Favored Pre-proline 0 C--N 1.324 -0.527 0 O-C-N 124.56 1.163 . . . . 0.0 108.276 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.98 -54.29 0.09 OUTLIER 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.472 1.775 . . . . 0.0 111.008 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -47.68 -30.55 3.87 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.472 1.108 . . . . 0.0 109.312 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 1.3 m -74.59 -56.75 4.48 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.504 1.127 . . . . 0.0 108.398 179.877 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.592 HD12 ' O ' ' A' ' 36' ' ' CYS . 0.4 OUTLIER -51.04 -41.04 59.61 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.522 1.139 . . . . 0.0 109.356 179.935 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 3.4 m -72.36 -25.79 61.66 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.491 1.119 . . . . 0.0 110.009 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 13.0 tt0 -82.73 -19.23 38.35 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.502 1.126 . . . . 0.0 110.375 179.921 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 1.046 HD11 ' CZ3' ' A' ' 32' ' ' TRP . 13.5 mt -56.89 -54.86 41.71 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.393 1.058 . . . . 0.0 109.313 179.945 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -48.34 -50.75 22.81 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.425 1.078 . . . . 0.0 110.975 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 45' ' ' GLN . . . . . 0.472 ' HG2' ' CZ2' ' A' ' 49' ' ' TRP . 2.0 tp-100 -66.19 -32.3 73.65 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.484 0.756 . . . . 0.0 110.393 179.9 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 4.1 m -70.1 -28.94 65.81 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.553 1.158 . . . . 0.0 110.393 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 31.1 tt0 -73.99 -34.46 64.21 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.408 1.067 . . . . 0.0 110.284 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 26.1 tttt -78.18 -37.29 46.05 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.585 1.178 . . . . 0.0 109.313 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 49' ' ' TRP . . . . . 0.48 ' HB3' ' CE2' ' A' ' 55' ' ' PHE . 45.4 m0 -65.73 -34.31 77.9 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 107.94 -1.133 . . . . 0.0 107.94 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.813 ' HB2' HD22 ' A' ' 60' ' ' LEU . . . -74.23 -9.0 58.18 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.48 1.112 . . . . 0.0 109.348 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 9.7 mm100 -104.04 -14.7 15.83 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.493 1.121 . . . . 0.0 110.344 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 2.6 t0 -63.61 137.2 58.01 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.475 1.109 . . . . 0.0 109.336 179.919 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -60.23 -46.79 88.56 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.504 1.127 . . . . 0.0 109.277 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.29 -39.74 60.89 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.502 1.126 . . . . 0.0 109.275 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 55' ' ' PHE . . . . . 0.673 ' CZ ' ' CB ' ' A' ' 133' ' ' ALA . 1.2 m-85 -77.05 -28.52 54.77 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.427 1.079 . . . . 0.0 111.03 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 56' ' ' SER . . . . . 0.409 ' O ' ' C ' ' A' ' 57' ' ' SER . 3.2 t -49.5 -40.25 36.87 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.486 1.116 . . . . 0.0 110.006 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 57' ' ' SER . . . . . 0.409 ' C ' ' O ' ' A' ' 56' ' ' SER . 32.5 t -38.5 -58.46 1.03 Allowed 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.515 1.134 . . . . 0.0 110.051 179.93 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -101.92 165.74 11.02 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.442 1.088 . . . . 0.0 109.344 179.908 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 3.8 m-20 -88.98 124.75 34.55 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.497 1.123 . . . . 0.0 109.289 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.813 HD22 ' HB2' ' A' ' 50' ' ' ALA . 7.8 tt -112.91 125.89 54.87 Favored 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.471 1.107 . . . . 0.0 109.277 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.524 HD12 HG21 ' A' ' 92' ' ' VAL . 16.1 pt -151.83 160.83 3.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.486 1.116 . . . . 0.0 109.256 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 36.6 p -114.64 154.65 28.0 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.49 1.119 . . . . 0.0 110.345 -179.934 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 63' ' ' VAL . . . . . 0.436 HG23 HG23 ' A' ' 29' ' ' ILE . 2.4 t -123.97 145.68 30.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.406 1.067 . . . . 0.0 109.284 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 64' ' ' ALA . . . . . 0.466 ' N ' ' O ' ' A' ' 92' ' ' VAL . . . -134.3 149.53 50.91 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.525 1.141 . . . . 0.0 109.338 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 65' ' ' SER . . . . . 0.475 ' CB ' ' HB3' ' A' ' 68' ' ' PHE . 9.1 m -121.81 108.97 34.42 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.45 1.094 . . . . 0.0 109.925 -179.929 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 66' ' ' PRO . . . . . 0.416 ' HD2' ' O ' ' A' ' 94' ' ' ASP . 18.2 Cg_endo -75.06 138.65 23.17 Favored 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.526 1.803 . . . . 0.0 110.989 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 62.83 12.46 42.19 Favored Glycine 0 CA--C 1.531 1.083 0 O-C-N 124.5 1.125 . . . . 0.0 111.034 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 68' ' ' PHE . . . . . 0.988 ' CE2' HD23 ' A' ' 69' ' ' LEU . 71.6 t80 -121.17 130.63 53.81 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.483 0.755 . . . . 0.0 110.992 -179.867 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.988 HD23 ' CE2' ' A' ' 68' ' ' PHE . 1.2 mm? 71.38 43.49 0.61 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.529 1.143 . . . . 0.0 109.294 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 1.9 t60 59.44 18.29 6.72 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.524 1.14 . . . . 0.0 109.569 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 71' ' ' GLU . . . . . 0.427 ' HA ' ' OE1' ' A' ' 71' ' ' GLU . 4.0 tp10 -84.2 149.99 25.78 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.537 1.148 . . . . 0.0 110.303 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 72' ' ' LYS . . . . . 0.412 ' N ' ' HG3' ' A' ' 71' ' ' GLU . 2.1 mttt -49.16 138.37 12.37 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.424 1.078 . . . . 0.0 109.289 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 15.6 mttp -64.59 165.72 9.7 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.469 1.106 . . . . 0.0 109.361 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -52.57 156.49 1.84 Allowed 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.545 1.153 . . . . 0.0 109.32 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 75' ' ' GLY . . . . . 0.412 ' CA ' ' HG3' ' A' ' 78' ' ' GLN . . . 77.3 -52.48 3.41 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.385 1.053 . . . . 0.0 110.932 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -57.37 -54.28 48.58 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.496 0.762 . . . . 0.0 109.288 -179.898 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 80.8 t80 -59.32 -28.83 67.16 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.534 1.146 . . . . 0.0 110.929 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 78' ' ' GLN . . . . . 0.412 ' HG3' ' CA ' ' A' ' 75' ' ' GLY . 5.5 mt-30 -69.22 -29.26 67.17 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.378 1.048 . . . . 0.0 110.238 -179.914 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.57 -41.25 69.26 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.125 . . . . 0.0 109.142 -179.92 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 80' ' ' TRP . . . . . 0.435 ' CZ3' ' HB3' ' A' ' 34' ' ' SER . 3.4 t90 . . . . . 0 C--N 1.324 -0.517 0 N-CA-C 107.969 -1.123 . . . . 0.0 107.969 -179.908 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 10.8 mmtm . . . . . 0 N--CA 1.453 -0.32 0 N-CA-C 109.277 -0.638 . . . . 0.0 109.277 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 89' ' ' LEU . . . . . 0.788 HD12 ' HD2' ' A' ' 90' ' ' PRO . 4.3 tp -116.45 124.07 29.91 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.52 1.137 . . . . 0.0 109.365 179.918 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 90' ' ' PRO . . . . . 0.788 ' HD2' HD12 ' A' ' 89' ' ' LEU . 18.4 Cg_endo -75.02 127.02 10.33 Favored 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.431 1.753 . . . . 0.0 111.032 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 15.5 t -140.54 118.92 10.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.509 1.13 . . . . 0.0 109.243 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 92' ' ' VAL . . . . . 0.524 HG21 HD12 ' A' ' 61' ' ' ILE . 43.9 t -107.91 143.26 18.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.473 1.108 . . . . 0.0 109.32 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 10.8 p -121.6 120.13 33.9 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.47 1.106 . . . . 0.0 110.33 -179.936 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 94' ' ' ASP . . . . . 0.525 ' HB2' HD11 ' A' ' 9' ' ' LEU . 50.2 t0 -115.15 109.97 18.82 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.515 1.134 . . . . 0.0 109.284 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 1.3 m120 -61.03 109.01 0.97 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.52 1.137 . . . . 0.0 109.271 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 88.93 -24.56 12.45 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.478 1.111 . . . . 0.0 111.049 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 72.29 77.48 0.55 Allowed Glycine 0 CA--C 1.529 0.952 0 N-CA-C 111.026 -0.83 . . . . 0.0 111.026 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 3.4 m -64.9 -43.74 91.88 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.456 0.739 . . . . 0.0 110.353 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 3.5 mt -76.63 -36.05 26.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.495 1.122 . . . . 0.0 109.308 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -62.14 -42.71 99.51 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.483 1.115 . . . . 0.0 109.328 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -80.54 -36.55 32.93 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.591 1.182 . . . . 0.0 110.268 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 47.7 t -65.98 -29.35 69.72 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.597 1.185 . . . . 0.0 109.993 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 103' ' ' LEU . . . . . 0.432 HD21 HG21 ' A' ' 120' ' ' VAL . 27.4 mt -92.12 -13.09 31.28 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.501 1.126 . . . . 0.0 109.35 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 13.4 t-20 68.74 40.71 1.73 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.538 1.149 . . . . 0.0 109.279 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 105' ' ' ILE . . . . . 0.699 HG22 ' H ' ' A' ' 107' ' ' VAL . 47.8 mt -74.76 -86.04 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.484 1.115 . . . . 0.0 109.306 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 66.1 p 53.77 23.47 3.78 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.5 1.125 . . . . 0.0 109.964 179.914 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 107' ' ' VAL . . . . . 0.699 ' H ' HG22 ' A' ' 105' ' ' ILE . 2.8 p -144.46 131.77 16.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.573 1.17 . . . . 0.0 109.285 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 108' ' ' TYR . . . . . 0.579 ' CE1' ' HB3' ' A' ' 31' ' ' PHE . 12.6 m-85 -131.83 152.52 80.47 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.43 1.081 . . . . 0.0 110.994 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 109' ' ' PRO . . . . . 0.523 ' C ' ' HA ' ' A' ' 108' ' ' TYR . 18.1 Cg_endo -75.05 170.06 72.87 Favored 'Cis proline' 0 C--N 1.36 1.156 0 C-N-CA 121.052 -2.478 . . . . 0.0 110.952 0.067 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 110' ' ' SER . . . . . 0.412 ' O ' ' HA ' ' A' ' 30' ' ' LYS . 8.0 m -155.28 149.4 25.79 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.491 1.119 . . . . 0.0 109.998 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 111' ' ' TRP . . . . . 0.573 ' CE3' ' HB2' ' A' ' 30' ' ' LYS . 64.6 m95 -128.49 137.46 51.8 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.532 1.145 . . . . 0.0 108.062 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -129.19 143.19 50.77 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.489 1.118 . . . . 0.0 109.368 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 113' ' ' LEU . . . . . 0.549 ' O ' HD13 ' A' ' 114' ' ' ILE . 21.5 tp -108.78 133.98 52.09 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.439 1.087 . . . . 0.0 109.251 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 114' ' ' ILE . . . . . 0.549 HD13 ' O ' ' A' ' 113' ' ' LEU . 5.4 mm -122.88 108.91 22.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 O-C-N 124.415 1.072 . . . . 0.0 109.333 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -47.81 173.53 0.03 OUTLIER Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.453 1.096 . . . . 0.0 111.01 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.16 -17.85 64.98 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.448 0.734 . . . . 0.0 109.27 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -75.38 -23.81 57.14 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.495 1.122 . . . . 0.0 109.257 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . 97.73 22.64 15.5 Favored Glycine 0 CA--C 1.531 1.068 0 O-C-N 124.463 1.102 . . . . 0.0 110.943 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 2.1 p30 -120.66 145.45 47.43 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.554 0.797 . . . . 0.0 109.27 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 120' ' ' VAL . . . . . 0.458 HG22 ' CD1' ' A' ' 114' ' ' ILE . 94.3 t -55.33 116.34 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 O-C-N 124.395 1.06 . . . . 0.0 109.356 179.942 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 121' ' ' GLN . . . . . 0.474 ' HG3' HD23 ' A' ' 113' ' ' LEU . 8.4 pt20 -101.89 -32.27 10.3 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.545 1.153 . . . . 0.0 110.365 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 21.7 ttt180 -149.2 141.7 24.33 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.547 1.155 . . . . 0.0 110.309 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 123' ' ' ILE . . . . . 0.416 HD12 HD13 ' A' ' 103' ' ' LEU . 3.4 tt -122.46 135.05 63.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.459 1.099 . . . . 0.0 109.294 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 37.1 t -128.47 138.55 54.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.548 1.155 . . . . 0.0 109.369 179.924 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 4.1 mtmp? -118.19 116.66 27.27 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.426 1.079 . . . . 0.0 109.323 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . 126.41 -155.7 19.55 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.558 1.161 . . . . 0.0 111.065 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -113.73 163.74 14.62 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.472 0.748 . . . . 0.0 110.035 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 128' ' ' ILE . . . . . 0.414 ' HA ' ' OE1' ' A' ' 132' ' ' GLN . 13.4 pt -143.63 167.22 13.19 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 O-C-N 124.551 1.157 . . . . 0.0 109.309 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 129' ' ' ASN . . . . . . . . . . . . . 3.7 p30 -108.46 168.22 9.48 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.504 1.127 . . . . 0.0 109.267 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 34.7 tt0 -57.2 -27.18 61.74 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.441 1.088 . . . . 0.0 110.284 -179.919 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -68.47 -51.67 40.91 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.543 1.152 . . . . 0.0 109.292 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 132' ' ' GLN . . . . . 0.414 ' OE1' ' HA ' ' A' ' 128' ' ' ILE . 3.0 mt-30 -51.0 -45.68 61.23 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.576 1.173 . . . . 0.0 110.261 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 133' ' ' ALA . . . . . 0.673 ' CB ' ' CZ ' ' A' ' 55' ' ' PHE . . . -55.74 -50.29 70.79 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.578 1.174 . . . . 0.0 109.327 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 2.6 mt . . . . . 0 C--N 1.325 -0.457 0 O-C-N 124.455 1.097 . . . . 0.0 109.358 179.953 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.442 ' HA ' HD23 ' A' ' 9' ' ' LEU . 10.9 mt . . . . . 0 N--CA 1.453 -0.308 0 N-CA-C 109.223 -0.658 . . . . 0.0 109.223 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -131.88 160.47 35.59 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.462 1.101 . . . . 0.0 109.337 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 11' ' ' THR . . . . . 0.743 HG22 HG22 ' A' ' 92' ' ' VAL . 35.7 p -92.76 179.05 5.59 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.501 1.125 . . . . 0.0 110.358 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -64.17 -14.11 52.98 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.39 1.056 . . . . 0.0 109.306 179.925 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -97.17 15.17 23.44 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.561 1.163 . . . . 0.0 109.299 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 56.6 28.96 14.78 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.468 1.105 . . . . 0.0 109.304 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -101.88 157.78 33.03 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.416 1.073 . . . . 0.0 110.349 179.946 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 125.97 9.68 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.433 1.754 . . . . 0.0 111.02 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -60.63 -34.9 74.94 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.539 1.15 . . . . 0.0 109.318 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 8.5 t -50.73 -29.82 12.35 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.488 1.118 . . . . 0.0 110.041 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -61.73 -35.87 70.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.432 1.083 . . . . 0.0 109.322 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 20.8 m-85 -94.87 19.71 9.82 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.551 1.157 . . . . 0.0 111.055 179.93 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -119.28 120.27 36.5 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.391 1.057 . . . . 0.0 109.29 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 22' ' ' LYS . . . . . 0.405 ' O ' ' N ' ' A' ' 24' ' ' ASP . 0.0 OUTLIER -97.44 106.07 18.32 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.522 1.139 . . . . 0.0 109.358 179.924 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.22 56.45 0.15 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.517 1.136 . . . . 0.0 109.335 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 24' ' ' ASP . . . . . 0.405 ' N ' ' O ' ' A' ' 22' ' ' LYS . 0.5 OUTLIER 169.32 37.68 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.524 1.14 . . . . 0.0 109.269 -179.932 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -170.47 162.87 6.04 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.547 1.154 . . . . 0.0 109.28 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.91 142.92 28.75 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.465 1.771 . . . . 0.0 111.041 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 23.9 m -117.4 124.93 50.07 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.532 1.145 . . . . 0.0 110.334 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.572 HD12 ' O ' ' A' ' 112' ' ' ALA . 15.1 tp -107.97 128.15 54.39 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.443 1.089 . . . . 0.0 109.34 179.943 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.584 HD11 HG13 ' A' ' 114' ' ' ILE . 2.5 mt -107.62 150.41 10.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.529 1.143 . . . . 0.0 109.279 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.491 ' HD2' ' CZ2' ' A' ' 111' ' ' TRP . 2.7 tttp -138.79 110.67 7.2 Favored 'General case' 0 C--N 1.326 -0.415 0 O-C-N 124.484 1.115 . . . . 0.0 109.232 -179.94 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 31' ' ' PHE . . . . . 0.58 ' HB3' ' CE1' ' A' ' 108' ' ' TYR . 62.6 m-85 -83.47 126.52 32.86 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.566 1.166 . . . . 0.0 111.019 179.921 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 32' ' ' TRP . . . . . 0.531 ' CE2' HD11 ' A' ' 43' ' ' LEU . 5.2 p-90 -134.31 167.03 21.46 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.477 1.11 . . . . 0.0 108.034 179.895 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 33' ' ' ALA . . . . . 0.436 ' HB3' ' HB2' ' A' ' 36' ' ' CYS . . . -138.86 138.79 37.8 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.495 1.122 . . . . 0.0 109.259 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -61.86 -43.83 98.05 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.124 . . . . 0.0 110.075 179.933 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 31.2 p-90 -65.04 -19.35 65.95 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 107.98 -1.119 . . . . 0.0 107.98 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 36' ' ' CYS . . . . . 0.436 ' HB2' ' HB3' ' A' ' 33' ' ' ALA . 43.0 t -83.63 116.0 62.38 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.436 1.085 . . . . 0.0 108.294 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -54.31 0.09 OUTLIER 'Trans proline' 0 C--N 1.361 1.222 0 O-C-N 124.461 1.769 . . . . 0.0 111.017 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -47.96 -32.7 6.76 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.519 1.137 . . . . 0.0 109.313 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 4.1 m -68.61 -57.45 5.71 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.494 1.121 . . . . 0.0 108.245 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 16.9 mt -50.83 -52.18 43.9 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.502 1.126 . . . . 0.0 109.24 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.3 p -52.4 -25.32 9.59 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.558 1.161 . . . . 0.0 110.034 -179.913 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -93.36 -32.14 14.38 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.503 1.127 . . . . 0.0 110.343 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.531 HD11 ' CE2' ' A' ' 32' ' ' TRP . 0.2 OUTLIER -44.17 -54.43 5.63 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.533 1.146 . . . . 0.0 109.391 179.929 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -52.48 -52.87 34.91 Favored Glycine 0 CA--C 1.529 0.925 0 O-C-N 124.485 1.116 . . . . 0.0 111.035 179.879 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 45' ' ' GLN . . . . . 0.559 ' CD ' ' CZ2' ' A' ' 49' ' ' TRP . 43.9 tt0 -62.07 -30.02 70.7 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.442 0.73 . . . . 0.0 110.326 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 98.3 m -68.67 -38.89 80.73 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.553 1.158 . . . . 0.0 110.428 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 17.7 tt0 -60.98 -37.68 83.31 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.474 1.109 . . . . 0.0 110.281 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 5.4 ttpt -78.52 -37.52 42.85 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.489 1.118 . . . . 0.0 109.301 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 49' ' ' TRP . . . . . 0.559 ' CZ2' ' CD ' ' A' ' 45' ' ' GLN . 34.4 m0 -60.87 -31.47 70.94 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 107.952 -1.129 . . . . 0.0 107.952 -179.947 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -74.26 -8.88 57.77 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.616 1.197 . . . . 0.0 109.305 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 4.9 mt-30 -101.14 -10.6 20.28 Favored 'General case' 0 C--N 1.326 -0.413 0 O-C-N 124.485 1.115 . . . . 0.0 110.319 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 4.1 t70 -67.58 124.63 23.76 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.46 1.1 . . . . 0.0 109.286 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -52.21 -45.53 65.27 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.434 1.084 . . . . 0.0 109.287 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 54' ' ' LYS . . . . . 0.665 ' HG3' HD22 ' A' ' 134' ' ' LEU . 0.0 OUTLIER -50.17 -47.18 54.6 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.446 1.091 . . . . 0.0 109.352 -179.979 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 55' ' ' PHE . . . . . 0.658 ' CE1' HD12 ' A' ' 60' ' ' LEU . 0.6 OUTLIER -67.88 -28.09 67.23 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.377 1.048 . . . . 0.0 111.067 179.961 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 56' ' ' SER . . . . . 0.403 ' O ' ' C ' ' A' ' 57' ' ' SER . 1.0 OUTLIER -46.52 -40.25 12.25 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.464 1.103 . . . . 0.0 109.939 179.995 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 57' ' ' SER . . . . . 0.403 ' C ' ' O ' ' A' ' 56' ' ' SER . 69.8 m -39.42 -62.97 0.61 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.523 1.14 . . . . 0.0 109.987 -179.908 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 58' ' ' ALA . . . . . 0.406 ' O ' ' O ' ' A' ' 55' ' ' PHE . . . -100.65 165.99 11.12 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.529 1.143 . . . . 0.0 109.197 -179.941 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 67.6 m-80 -89.03 131.72 35.08 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.52 1.138 . . . . 0.0 109.241 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.727 HD23 ' N ' ' A' ' 61' ' ' ILE . 3.4 tt -118.39 127.03 53.29 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.48 1.113 . . . . 0.0 109.268 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.727 ' N ' HD23 ' A' ' 60' ' ' LEU . 0.9 OUTLIER -151.73 160.93 3.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 O-C-N 124.581 1.175 . . . . 0.0 109.237 179.995 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 62' ' ' THR . . . . . 0.505 ' HB ' ' CD1' ' A' ' 32' ' ' TRP . 41.5 p -115.72 150.05 37.46 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.455 1.097 . . . . 0.0 110.395 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 63' ' ' VAL . . . . . 0.403 HG23 HG23 ' A' ' 29' ' ' ILE . 3.4 t -123.79 145.24 31.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.439 1.087 . . . . 0.0 109.309 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 64' ' ' ALA . . . . . 0.411 ' N ' ' O ' ' A' ' 92' ' ' VAL . . . -132.9 149.7 52.23 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.457 1.098 . . . . 0.0 109.33 179.909 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 2.6 p -126.62 108.92 22.96 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.49 1.119 . . . . 0.0 109.962 -179.934 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 66' ' ' PRO . . . . . 0.41 ' HD2' ' O ' ' A' ' 94' ' ' ASP . 18.5 Cg_endo -74.92 131.38 14.32 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.485 1.782 . . . . 0.0 111.094 179.903 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 86.62 -14.5 55.44 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.495 1.122 . . . . 0.0 110.991 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 68' ' ' PHE . . . . . 0.439 ' O ' ' HB2' ' A' ' 71' ' ' GLU . 0.5 OUTLIER -98.86 131.46 44.94 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.452 0.736 . . . . 0.0 111.035 -179.987 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 1.069 HD22 ' CE2' ' A' ' 108' ' ' TYR . 11.0 mp 66.84 14.54 9.85 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.564 1.165 . . . . 0.0 109.275 -179.951 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER 74.84 43.08 0.24 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.522 1.139 . . . . 0.0 109.595 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 71' ' ' GLU . . . . . 0.439 ' HB2' ' O ' ' A' ' 68' ' ' PHE . 0.2 OUTLIER -94.56 142.36 27.53 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.488 1.117 . . . . 0.0 110.317 180.0 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -42.28 119.98 1.52 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.45 1.094 . . . . 0.0 109.311 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 6.0 tptm -62.41 151.67 36.37 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.613 1.196 . . . . 0.0 109.402 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -44.82 141.59 2.08 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.481 1.113 . . . . 0.0 109.277 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 75' ' ' GLY . . . . . 0.491 ' CA ' ' HG2' ' A' ' 78' ' ' GLN . . . 91.71 -50.35 2.89 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.556 1.16 . . . . 0.0 110.99 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -71.64 -35.0 70.27 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.535 0.786 . . . . 0.0 109.34 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 33.7 t80 -71.86 -29.75 64.7 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.522 1.139 . . . . 0.0 111.062 179.913 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 78' ' ' GLN . . . . . 0.491 ' HG2' ' CA ' ' A' ' 75' ' ' GLY . 2.8 mm100 -68.43 -36.85 79.65 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.483 1.115 . . . . 0.0 110.313 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 9.1 mttt -61.01 -39.22 88.9 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.535 1.147 . . . . 0.0 109.276 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 80' ' ' TRP . . . . . . . . . . . . . 2.6 t90 . . . . . 0 C--N 1.325 -0.498 0 N-CA-C 108.02 -1.104 . . . . 0.0 108.02 -179.969 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 17.5 mttt . . . . . 0 N--CA 1.453 -0.284 0 N-CA-C 109.33 -0.618 . . . . 0.0 109.33 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 89' ' ' LEU . . . . . 0.534 HD12 ' HD2' ' A' ' 90' ' ' PRO . 1.9 tp -123.18 119.79 27.51 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.433 1.083 . . . . 0.0 109.369 179.946 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 90' ' ' PRO . . . . . 0.534 ' HD2' HD12 ' A' ' 89' ' ' LEU . 18.5 Cg_endo -74.92 127.34 10.67 Favored 'Trans proline' 0 C--N 1.358 1.062 0 O-C-N 124.432 1.754 . . . . 0.0 111.021 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 91' ' ' VAL . . . . . 0.43 ' O ' ' HB ' ' A' ' 11' ' ' THR . 7.5 t -145.8 117.94 2.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.473 1.108 . . . . 0.0 109.273 -179.938 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 92' ' ' VAL . . . . . 0.743 HG22 HG22 ' A' ' 11' ' ' THR . 46.3 t -112.14 134.21 55.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.57 1.169 . . . . 0.0 109.238 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 93' ' ' THR . . . . . 0.424 ' O ' HD22 ' A' ' 9' ' ' LEU . 4.7 p -108.24 116.43 31.94 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.532 1.145 . . . . 0.0 110.322 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 94' ' ' ASP . . . . . 0.415 ' CG ' HD11 ' A' ' 9' ' ' LEU . 59.8 t0 -109.59 110.5 21.59 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.555 1.16 . . . . 0.0 109.344 179.907 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 41.3 t-20 -58.77 113.54 2.09 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.466 1.104 . . . . 0.0 109.331 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 87.25 -21.23 21.95 Favored Glycine 0 CA--C 1.529 0.946 0 O-C-N 124.532 1.145 . . . . 0.0 110.977 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 66.8 74.38 0.55 Allowed Glycine 0 CA--C 1.53 0.975 0 N-CA-C 111.018 -0.833 . . . . 0.0 111.018 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 98' ' ' THR . . . . . 0.463 ' O ' ' CB ' ' A' ' 102' ' ' SER . 1.0 OUTLIER -69.2 -29.2 67.12 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.491 0.759 . . . . 0.0 110.43 179.962 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 3.3 mt -77.54 -36.13 22.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.485 1.115 . . . . 0.0 109.288 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 100' ' ' ALA . . . . . 0.529 ' HA ' HD12 ' A' ' 105' ' ' ILE . . . -70.28 -39.78 74.69 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.415 1.072 . . . . 0.0 109.322 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 7.2 pt20 -80.11 -31.87 39.11 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.514 1.134 . . . . 0.0 110.3 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 102' ' ' SER . . . . . 0.463 ' CB ' ' O ' ' A' ' 98' ' ' THR . 11.1 t -63.57 -32.71 74.25 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.526 1.141 . . . . 0.0 109.99 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 103' ' ' LEU . . . . . 0.638 HD21 HG11 ' A' ' 120' ' ' VAL . 7.6 mt -100.58 -8.05 23.4 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.513 1.133 . . . . 0.0 109.318 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 37.0 t30 62.07 62.01 1.27 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.552 1.157 . . . . 0.0 109.231 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 105' ' ' ILE . . . . . 0.75 ' O ' HG12 ' A' ' 107' ' ' VAL . 8.3 mt -94.83 -73.54 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.546 1.154 . . . . 0.0 109.315 179.951 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 106' ' ' SER . . . . . 0.767 ' C ' HD21 ' A' ' 69' ' ' LEU . 26.5 p 53.05 27.34 5.62 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.51 1.131 . . . . 0.0 109.978 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 107' ' ' VAL . . . . . 0.75 HG12 ' O ' ' A' ' 105' ' ' ILE . 2.4 p -148.51 131.97 8.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.431 1.082 . . . . 0.0 109.339 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 108' ' ' TYR . . . . . 1.069 ' CE2' HD22 ' A' ' 69' ' ' LEU . 15.8 m-85 -131.36 152.98 81.48 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.555 1.16 . . . . 0.0 110.994 -179.932 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 109' ' ' PRO . . . . . 0.526 ' C ' ' HA ' ' A' ' 108' ' ' TYR . 18.2 Cg_endo -74.99 173.59 57.08 Favored 'Cis proline' 0 C--N 1.36 1.181 0 C-N-CA 121.047 -2.48 . . . . 0.0 110.997 -0.014 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 110' ' ' SER . . . . . 0.428 ' O ' ' HA ' ' A' ' 30' ' ' LYS . 0.0 OUTLIER -155.59 154.04 31.06 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.576 1.173 . . . . 0.0 109.971 179.964 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 111' ' ' TRP . . . . . 0.491 ' CZ2' ' HD2' ' A' ' 30' ' ' LYS . 61.5 m95 -124.69 137.97 54.32 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.547 1.154 . . . . 0.0 107.992 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 112' ' ' ALA . . . . . 0.579 ' HB3' ' HB ' ' A' ' 29' ' ' ILE . . . -129.52 136.32 49.71 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.482 1.114 . . . . 0.0 109.283 -179.949 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 23.9 tp -108.64 133.72 52.35 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.415 1.072 . . . . 0.0 109.225 -179.931 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 114' ' ' ILE . . . . . 0.584 HG13 HD11 ' A' ' 29' ' ' ILE . 5.0 mm -122.13 119.42 58.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.491 1.119 . . . . 0.0 109.228 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 115' ' ' GLY . . . . . 0.453 ' CA ' ' HG3' ' A' ' 121' ' ' GLN . . . -49.99 164.51 0.61 Allowed Glycine 0 CA--C 1.529 0.945 0 O-C-N 124.518 1.136 . . . . 0.0 110.934 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.61 -15.08 63.41 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.47 0.747 . . . . 0.0 109.276 -179.946 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -78.83 -22.53 46.02 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.492 1.12 . . . . 0.0 109.294 179.952 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . 101.42 28.02 6.95 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.478 1.111 . . . . 0.0 110.969 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 3.1 p-10 -126.17 153.13 45.07 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.577 0.81 . . . . 0.0 109.311 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 120' ' ' VAL . . . . . 0.638 HG11 HD21 ' A' ' 103' ' ' LEU . 70.3 t -52.68 118.5 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.554 1.159 . . . . 0.0 109.304 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 121' ' ' GLN . . . . . 0.453 ' HG3' ' CA ' ' A' ' 115' ' ' GLY . 0.0 OUTLIER -96.01 -56.69 2.57 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.58 1.175 . . . . 0.0 110.39 179.941 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -151.7 150.7 30.52 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.535 1.147 . . . . 0.0 110.316 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 123' ' ' ILE . . . . . 0.474 HD12 HD22 ' A' ' 103' ' ' LEU . 14.0 tt -116.44 141.94 32.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 O-C-N 124.476 1.11 . . . . 0.0 109.318 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 16.0 t -134.24 130.34 54.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.469 1.106 . . . . 0.0 109.334 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -115.64 131.68 56.86 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.48 1.112 . . . . 0.0 109.254 -179.933 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . 121.87 -153.63 16.76 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.439 1.087 . . . . 0.0 111.008 -180.0 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -125.68 141.42 52.02 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.548 0.793 . . . . 0.0 109.938 -179.93 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 128' ' ' ILE . . . . . 0.446 HG22 ' OE1' ' A' ' 132' ' ' GLN . 4.1 pt -120.49 163.08 18.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.463 1.102 . . . . 0.0 109.323 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 129' ' ' ASN . . . . . . . . . . . . . 1.8 p30 -108.0 165.41 11.49 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.572 1.17 . . . . 0.0 109.344 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 130' ' ' GLU . . . . . 0.476 ' OE1' ' CD1' ' A' ' 49' ' ' TRP . 1.4 tt0 -51.24 -33.77 29.44 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.45 1.094 . . . . 0.0 110.318 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -56.99 -54.79 42.75 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.551 1.157 . . . . 0.0 109.289 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 132' ' ' GLN . . . . . 0.446 ' OE1' HG22 ' A' ' 128' ' ' ILE . 5.6 mt-30 -51.24 -48.0 62.23 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.482 1.114 . . . . 0.0 110.277 179.947 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 133' ' ' ALA . . . . . 0.468 ' HB1' ' CZ ' ' A' ' 55' ' ' PHE . . . -52.74 -45.87 67.21 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.526 1.142 . . . . 0.0 109.281 -179.942 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 134' ' ' LEU . . . . . 0.665 HD22 ' HG3' ' A' ' 54' ' ' LYS . 61.1 mt . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.475 1.109 . . . . 0.0 109.366 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 49.4 mt . . . . . 0 N--CA 1.453 -0.302 0 N-CA-C 109.376 -0.601 . . . . 0.0 109.376 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 10' ' ' LYS . . . . . 0.419 ' HA ' ' O ' ' A' ' 15' ' ' ARG . 11.0 mttt -133.83 150.58 51.41 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.508 1.13 . . . . 0.0 109.197 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 11' ' ' THR . . . . . 0.415 ' HA ' ' O ' ' A' ' 91' ' ' VAL . 37.9 p -83.63 -179.13 7.24 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.475 1.11 . . . . 0.0 110.45 179.929 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -75.37 -3.52 34.09 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.531 1.144 . . . . 0.0 109.287 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -104.99 18.16 22.86 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.515 1.134 . . . . 0.0 109.313 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 58.8 33.41 23.04 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.516 1.135 . . . . 0.0 109.29 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 15' ' ' ARG . . . . . 0.419 ' O ' ' HA ' ' A' ' 10' ' ' LYS . 0.0 OUTLIER -108.57 146.05 32.88 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.46 1.1 . . . . 0.0 110.276 179.997 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 16' ' ' PRO . . . . . 0.48 ' HG2' HG23 ' A' ' 19' ' ' VAL . 18.3 Cg_endo -75.03 136.6 20.55 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.575 1.829 . . . . 0.0 110.962 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -70.68 -27.9 64.37 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.426 1.079 . . . . 0.0 109.352 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 18' ' ' SER . . . . . 0.616 ' HA ' HD23 ' A' ' 21' ' ' LEU . 55.0 p -56.18 -18.38 10.0 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.501 1.125 . . . . 0.0 110.05 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.48 HG23 ' HG2' ' A' ' 16' ' ' PRO . 73.8 t -62.29 -31.21 50.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.395 1.06 . . . . 0.0 109.222 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 23.3 m-85 -121.75 28.81 7.44 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.506 1.129 . . . . 0.0 110.932 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.616 HD23 ' HA ' ' A' ' 18' ' ' SER . 0.4 OUTLIER -71.21 100.75 2.15 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.487 1.117 . . . . 0.0 109.199 -179.962 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 22' ' ' LYS . . . . . 0.551 ' CD ' ' O ' ' A' ' 25' ' ' LYS . 0.1 OUTLIER -39.6 98.58 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.47 1.106 . . . . 0.0 109.248 179.983 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.551 ' O ' ' CB ' ' A' ' 24' ' ' ASP . 17.7 tttt -67.04 64.86 0.06 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.461 1.101 . . . . 0.0 109.256 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 24' ' ' ASP . . . . . 0.551 ' CB ' ' O ' ' A' ' 23' ' ' LYS . 3.2 t70 85.82 31.22 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.52 1.137 . . . . 0.0 109.274 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.551 ' O ' ' CD ' ' A' ' 22' ' ' LYS . 15.2 mtpt -124.23 165.2 25.5 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.526 1.141 . . . . 0.0 109.296 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 26' ' ' PRO . . . . . 0.407 ' HD2' ' HB3' ' A' ' 25' ' ' LYS . 18.0 Cg_endo -75.0 134.48 17.86 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.451 1.764 . . . . 0.0 110.915 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 27' ' ' THR . . . . . 0.429 ' CB ' ' HG2' ' A' ' 22' ' ' LYS . 0.9 OUTLIER -121.04 143.01 49.28 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.535 1.147 . . . . 0.0 110.401 -179.993 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.903 HD12 ' O ' ' A' ' 112' ' ' ALA . 25.1 tp -122.93 129.98 52.26 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.518 1.136 . . . . 0.0 109.324 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.532 ' HB ' ' HB3' ' A' ' 112' ' ' ALA . 2.2 mp -107.02 152.91 8.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.42 1.075 . . . . 0.0 109.346 179.934 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.477 ' NZ ' ' CZ2' ' A' ' 111' ' ' TRP . 10.3 tptm -139.0 109.76 6.68 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.605 1.191 . . . . 0.0 109.267 -179.945 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 31' ' ' PHE . . . . . 0.584 ' HB3' ' CE1' ' A' ' 108' ' ' TYR . 66.3 m-85 -80.87 131.72 35.4 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.504 1.127 . . . . 0.0 110.985 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 32' ' ' TRP . . . . . 0.996 ' CZ3' HD11 ' A' ' 43' ' ' LEU . 5.8 p-90 -141.26 167.21 22.73 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 107.984 -1.117 . . . . 0.0 107.984 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -134.02 147.85 51.01 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.549 1.155 . . . . 0.0 109.244 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 34' ' ' SER . . . . . 0.589 ' OG ' ' CZ3' ' A' ' 80' ' ' TRP . 47.7 t -73.74 -18.59 60.97 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.452 1.095 . . . . 0.0 109.978 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 20.7 p-90 -91.18 -12.46 35.31 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.568 1.167 . . . . 0.0 107.935 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 34.5 t -86.35 114.81 59.46 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.526 1.141 . . . . 0.0 108.317 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 37' ' ' PRO . . . . . 0.461 ' HA ' HD12 ' A' ' 40' ' ' LEU . 18.4 Cg_endo -74.92 -48.42 0.18 Allowed 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.455 1.766 . . . . 0.0 111.002 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.406 ' HG ' ' N ' ' A' ' 39' ' ' CYS . 0.3 OUTLIER -52.19 -34.61 46.06 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.488 1.117 . . . . 0.0 109.292 -179.888 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 39' ' ' CYS . . . . . 0.406 ' N ' ' HG ' ' A' ' 38' ' ' LEU . 57.0 m -73.48 -43.47 60.1 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.523 1.139 . . . . 0.0 108.288 179.951 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.694 HD21 ' HH2' ' A' ' 80' ' ' TRP . 13.8 mt -51.3 -47.65 62.54 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.563 1.165 . . . . 0.0 109.264 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 2.6 p -70.44 -25.3 63.13 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.545 1.153 . . . . 0.0 110.011 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -77.7 -24.98 49.11 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.56 1.163 . . . . 0.0 110.279 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.996 HD11 ' CZ3' ' A' ' 32' ' ' TRP . 19.2 mt -50.55 -54.79 19.79 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.578 1.174 . . . . 0.0 109.343 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -53.1 -54.17 30.48 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.523 1.139 . . . . 0.0 110.961 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -61.1 -30.52 70.41 Favored 'General case' 0 C--N 1.327 -0.407 0 O-C-N 124.506 0.768 . . . . 0.0 110.327 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 51.9 m -69.12 -37.25 78.24 Favored 'General case' 0 C--N 1.327 -0.396 0 O-C-N 124.593 1.183 . . . . 0.0 110.438 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 13.8 tt0 -69.85 -37.42 76.13 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.462 1.101 . . . . 0.0 110.303 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -69.31 -33.11 72.65 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.436 1.085 . . . . 0.0 109.296 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 49' ' ' TRP . . . . . 0.408 ' HB3' ' CE2' ' A' ' 55' ' ' PHE . 46.9 m0 -76.26 -28.11 56.95 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 108.028 -1.101 . . . . 0.0 108.028 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -74.35 -8.94 57.95 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.524 1.14 . . . . 0.0 109.279 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -103.82 -17.08 15.2 Favored 'General case' 0 C--N 1.323 -0.554 0 O-C-N 124.569 1.168 . . . . 0.0 110.342 179.945 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.9 t0 -57.32 129.43 41.78 Favored 'General case' 0 C--N 1.327 -0.404 0 O-C-N 124.436 1.085 . . . . 0.0 109.296 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -58.37 -48.91 79.1 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.488 1.118 . . . . 0.0 109.263 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -49.2 -38.78 27.3 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.509 1.131 . . . . 0.0 109.302 -179.921 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 55' ' ' PHE . . . . . 0.764 ' CE1' HD12 ' A' ' 60' ' ' LEU . 0.1 OUTLIER -75.21 -28.55 60.01 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.467 1.105 . . . . 0.0 110.932 179.993 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -46.51 -40.16 12.07 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.476 1.11 . . . . 0.0 110.021 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 33.1 t -39.8 -55.22 2.0 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.47 1.106 . . . . 0.0 109.967 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 58' ' ' ALA . . . . . 0.404 ' O ' ' O ' ' A' ' 55' ' ' PHE . . . -106.97 165.78 11.09 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.534 1.147 . . . . 0.0 109.291 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 2.0 m-20 -89.04 130.08 35.56 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.407 1.067 . . . . 0.0 109.292 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.764 HD12 ' CE1' ' A' ' 55' ' ' PHE . 4.7 tt -116.72 125.93 52.4 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.57 1.169 . . . . 0.0 109.305 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.624 ' N ' HD23 ' A' ' 60' ' ' LEU . 1.8 pp -153.93 162.32 2.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 O-C-N 124.511 1.132 . . . . 0.0 109.343 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 62' ' ' THR . . . . . 0.537 ' HB ' ' CD1' ' A' ' 32' ' ' TRP . 55.1 p -111.82 147.6 35.38 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.5 1.125 . . . . 0.0 110.391 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 2.1 t -116.65 144.11 25.17 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.441 1.088 . . . . 0.0 109.272 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -134.66 146.47 49.54 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.564 1.165 . . . . 0.0 109.355 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 65' ' ' SER . . . . . 0.424 ' HG ' ' HD1' ' A' ' 68' ' ' PHE . 68.6 p -120.36 108.14 38.25 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.463 1.102 . . . . 0.0 109.937 -179.887 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.94 136.67 20.84 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.482 1.78 . . . . 0.0 111.028 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 72.11 6.18 63.91 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.483 1.114 . . . . 0.0 110.964 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 68' ' ' PHE . . . . . 0.424 ' HD1' ' HG ' ' A' ' 65' ' ' SER . 51.7 t80 -118.64 126.88 52.91 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.475 0.75 . . . . 0.0 110.998 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 1.2 tp 69.12 48.31 0.69 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.485 1.115 . . . . 0.0 109.314 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER 51.52 23.61 1.92 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.535 1.147 . . . . 0.0 109.633 179.947 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 71' ' ' GLU . . . . . 0.424 ' HG3' ' N ' ' A' ' 72' ' ' LYS . 6.5 tp10 -77.41 151.08 34.96 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.49 1.118 . . . . 0.0 110.348 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 72' ' ' LYS . . . . . 0.424 ' N ' ' HG3' ' A' ' 71' ' ' GLU . 0.0 OUTLIER -53.84 131.84 40.55 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.528 1.142 . . . . 0.0 109.329 179.966 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 1.6 tttt -62.58 148.1 47.13 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.447 1.092 . . . . 0.0 109.288 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -50.34 150.78 2.4 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.463 1.102 . . . . 0.0 109.314 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 75' ' ' GLY . . . . . 0.409 ' CA ' ' HG2' ' A' ' 78' ' ' GLN . . . 86.27 -48.91 4.0 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.401 1.063 . . . . 0.0 111.016 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -70.93 -36.09 72.51 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.577 0.81 . . . . 0.0 109.277 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 77' ' ' PHE . . . . . 0.474 ' CD1' ' C ' ' A' ' 77' ' ' PHE . 0.7 OUTLIER -77.5 -57.17 3.97 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.451 1.094 . . . . 0.0 111.005 179.963 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 78' ' ' GLN . . . . . 0.409 ' HG2' ' CA ' ' A' ' 75' ' ' GLY . 19.2 pt20 -50.94 -25.34 4.51 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.534 1.146 . . . . 0.0 110.33 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 9.0 mtpt -77.82 -49.02 15.14 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.531 1.145 . . . . 0.0 109.299 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 80' ' ' TRP . . . . . 0.694 ' HH2' HD21 ' A' ' 40' ' ' LEU . 14.2 t90 . . . . . 0 C--N 1.325 -0.468 0 O-C-N 124.462 1.101 . . . . 0.0 108.035 179.876 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 12.9 mttp . . . . . 0 N--CA 1.452 -0.372 0 N-CA-C 109.274 -0.639 . . . . 0.0 109.274 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 89' ' ' LEU . . . . . 0.954 HD12 ' HD2' ' A' ' 90' ' ' PRO . 6.9 tp -98.71 128.3 33.05 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.576 1.172 . . . . 0.0 109.276 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 90' ' ' PRO . . . . . 0.954 ' HD2' HD12 ' A' ' 89' ' ' LEU . 18.6 Cg_endo -74.89 128.15 11.33 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.542 1.812 . . . . 0.0 111.07 179.924 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 91' ' ' VAL . . . . . 0.415 ' O ' ' HA ' ' A' ' 11' ' ' THR . 12.2 t -143.56 121.66 6.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 O-C-N 124.562 1.164 . . . . 0.0 109.348 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 92' ' ' VAL . . . . . 0.59 HG21 HD13 ' A' ' 61' ' ' ILE . 99.5 t -115.94 128.56 73.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.548 1.155 . . . . 0.0 109.266 -179.953 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 3.2 p -105.72 116.21 31.55 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.532 1.145 . . . . 0.0 110.402 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 53.5 t0 -113.94 111.74 22.19 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.52 1.137 . . . . 0.0 109.322 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 24.5 t-20 -56.82 118.07 4.56 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.518 1.136 . . . . 0.0 109.251 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 88.65 -21.71 24.76 Favored Glycine 0 CA--C 1.531 1.092 0 O-C-N 124.498 1.124 . . . . 0.0 110.896 179.914 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 71.8 55.84 7.03 Favored Glycine 0 CA--C 1.529 0.966 0 N-CA-C 110.948 -0.861 . . . . 0.0 110.948 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 3.4 m -52.54 -32.22 39.65 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.424 0.72 . . . . 0.0 110.287 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 99' ' ' ILE . . . . . 0.774 ' N ' HD13 ' A' ' 99' ' ' ILE . 1.2 mm -70.14 -37.49 72.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.52 1.137 . . . . 0.0 109.368 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 100' ' ' ALA . . . . . 0.486 ' HA ' HD12 ' A' ' 105' ' ' ILE . . . -76.95 -40.05 48.4 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.474 1.108 . . . . 0.0 109.275 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 1.6 mt-30 -72.4 -33.87 67.47 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.128 . . . . 0.0 110.219 -179.951 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 3.3 m -65.34 -35.44 80.98 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.528 1.143 . . . . 0.0 109.965 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 103' ' ' LEU . . . . . 0.684 HD21 HG11 ' A' ' 120' ' ' VAL . 39.9 mt -104.74 12.41 32.81 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.444 1.09 . . . . 0.0 109.321 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 14.4 t30 43.87 70.46 0.32 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.506 1.129 . . . . 0.0 109.324 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 105' ' ' ILE . . . . . 0.486 HD12 ' HA ' ' A' ' 100' ' ' ALA . 68.5 mt -109.2 151.66 11.46 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 O-C-N 124.465 1.103 . . . . 0.0 109.285 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 8.9 p -162.88 29.83 0.1 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.474 1.109 . . . . 0.0 110.025 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 2.0 p -147.26 132.3 11.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.456 1.097 . . . . 0.0 109.275 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 108' ' ' TYR . . . . . 0.584 ' CE1' ' HB3' ' A' ' 31' ' ' PHE . 22.7 m-85 -130.77 152.91 81.34 Favored Pre-proline 0 C--N 1.324 -0.532 0 O-C-N 124.488 1.117 . . . . 0.0 111.006 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 109' ' ' PRO . . . . . 0.536 ' C ' ' HA ' ' A' ' 108' ' ' TYR . 18.4 Cg_endo -74.86 171.99 65.11 Favored 'Cis proline' 0 C--N 1.36 1.174 0 C-N-CA 121.014 -2.494 . . . . 0.0 111.028 -0.121 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 110' ' ' SER . . . . . 0.407 ' O ' ' HA ' ' A' ' 30' ' ' LYS . 0.4 OUTLIER -146.27 164.16 33.2 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.526 1.141 . . . . 0.0 110.081 179.864 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 111' ' ' TRP . . . . . 0.477 ' CZ2' ' NZ ' ' A' ' 30' ' ' LYS . 58.6 m95 -134.66 138.13 44.19 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.515 1.135 . . . . 0.0 108.017 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 112' ' ' ALA . . . . . 0.903 ' O ' HD12 ' A' ' 28' ' ' LEU . . . -129.16 138.27 51.67 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.437 1.086 . . . . 0.0 109.261 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 113' ' ' LEU . . . . . 0.58 HD23 ' HB3' ' A' ' 121' ' ' GLN . 15.2 tp -108.41 136.28 48.29 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.42 1.075 . . . . 0.0 109.352 179.938 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 114' ' ' ILE . . . . . 0.513 HG13 HD11 ' A' ' 29' ' ' ILE . 4.7 mm -122.15 118.99 57.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.446 1.091 . . . . 0.0 109.343 179.936 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 115' ' ' GLY . . . . . 0.408 ' N ' ' HB2' ' A' ' 121' ' ' GLN . . . -51.69 164.58 1.19 Allowed Glycine 0 CA--C 1.531 1.067 0 O-C-N 124.43 1.081 . . . . 0.0 111.012 -179.957 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.83 -9.88 48.23 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.598 0.822 . . . . 0.0 109.33 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -87.19 -23.35 24.82 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.551 1.157 . . . . 0.0 109.297 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . 103.85 25.9 6.99 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.539 1.149 . . . . 0.0 110.948 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 20.1 p-10 -122.6 158.71 29.36 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.487 0.757 . . . . 0.0 109.321 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 120' ' ' VAL . . . . . 0.684 HG11 HD21 ' A' ' 103' ' ' LEU . 63.7 t -57.79 117.14 1.41 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.595 1.184 . . . . 0.0 109.321 -179.929 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 121' ' ' GLN . . . . . 0.58 ' HB3' HD23 ' A' ' 113' ' ' LEU . 8.1 tt0 -94.44 -49.19 5.79 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.489 1.118 . . . . 0.0 110.252 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -155.7 155.1 32.56 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.501 1.126 . . . . 0.0 110.298 -179.952 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 123' ' ' ILE . . . . . 0.504 HD12 HD13 ' A' ' 103' ' ' LEU . 7.8 tt -123.55 137.77 55.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.468 1.105 . . . . 0.0 109.293 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 96.2 t -128.86 137.64 56.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.503 1.127 . . . . 0.0 109.339 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -115.79 125.41 52.69 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.539 1.15 . . . . 0.0 109.296 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . 116.61 -149.4 18.78 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.554 1.159 . . . . 0.0 111.082 -179.928 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -122.02 161.16 23.48 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.512 0.771 . . . . 0.0 110.017 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 128' ' ' ILE . . . . . 0.572 HG22 ' CD ' ' A' ' 132' ' ' GLN . 10.0 pt -135.36 166.59 27.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.501 1.126 . . . . 0.0 109.227 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 129' ' ' ASN . . . . . 0.437 ' OD1' ' HB3' ' A' ' 131' ' ' ALA . 1.0 OUTLIER -107.12 166.47 10.6 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.551 1.157 . . . . 0.0 109.253 -179.985 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 18.3 tt0 -51.93 -36.31 48.73 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.485 1.116 . . . . 0.0 110.272 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 131' ' ' ALA . . . . . 0.437 ' HB3' ' OD1' ' A' ' 129' ' ' ASN . . . -61.28 -51.03 70.6 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.46 1.1 . . . . 0.0 109.274 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 132' ' ' GLN . . . . . 0.572 ' CD ' HG22 ' A' ' 128' ' ' ILE . 4.0 mt-30 -50.94 -44.61 60.41 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.414 1.071 . . . . 0.0 110.275 -179.925 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -53.03 -46.41 68.44 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.41 1.069 . . . . 0.0 109.3 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 9.0 mt . . . . . 0 C--N 1.325 -0.458 0 O-C-N 124.456 1.097 . . . . 0.0 109.251 -179.963 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.633 HD12 ' HA ' ' A' ' 94' ' ' ASP . 2.2 mm? . . . . . 0 N--CA 1.454 -0.273 0 N-CA-C 109.278 -0.638 . . . . 0.0 109.278 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 28.9 mttm -113.7 155.76 25.0 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.546 1.154 . . . . 0.0 109.328 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 14.7 p -82.59 -178.6 7.14 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.488 1.118 . . . . 0.0 110.355 -179.947 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -70.32 -9.18 55.38 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.536 1.148 . . . . 0.0 109.392 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -101.01 23.58 10.54 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.561 1.163 . . . . 0.0 109.354 179.947 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 50.3 33.68 7.79 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.523 1.139 . . . . 0.0 109.244 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 11.0 mmt85 -110.39 160.32 28.88 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.577 1.173 . . . . 0.0 110.312 179.93 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 16' ' ' PRO . . . . . 0.494 ' HG2' HG23 ' A' ' 19' ' ' VAL . 18.2 Cg_endo -75.04 139.44 24.17 Favored 'Trans proline' 0 C--N 1.358 1.074 0 O-C-N 124.547 1.814 . . . . 0.0 110.938 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -74.07 -21.63 59.85 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.48 1.112 . . . . 0.0 109.326 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 97.2 p -59.58 -26.33 65.33 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.513 1.133 . . . . 0.0 110.026 179.905 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.494 HG23 ' HG2' ' A' ' 16' ' ' PRO . 39.9 t -67.51 -20.41 26.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 O-C-N 124.468 1.105 . . . . 0.0 109.322 -179.906 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 35.0 m-85 -120.22 21.71 11.65 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.504 1.128 . . . . 0.0 110.961 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -129.43 107.04 9.19 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.426 1.079 . . . . 0.0 109.271 179.941 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 15.7 tptt -100.36 125.95 46.66 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.445 1.091 . . . . 0.0 109.303 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 2.1 tttt -85.38 16.74 3.51 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.432 1.083 . . . . 0.0 109.313 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 14.3 t70 -133.51 9.2 3.97 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.532 1.145 . . . . 0.0 109.249 -179.933 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 1.3 mmmt -148.37 159.74 38.38 Favored Pre-proline 0 C--N 1.324 -0.531 0 O-C-N 124.492 1.12 . . . . 0.0 109.343 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 141.98 27.39 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.474 1.776 . . . . 0.0 110.989 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 41.9 m -122.32 123.19 40.83 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.416 1.072 . . . . 0.0 110.322 -179.94 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 12.0 tp -102.02 127.68 48.79 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.573 1.171 . . . . 0.0 109.322 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.492 ' HB ' ' HB3' ' A' ' 112' ' ' ALA . 2.8 mt -108.69 148.7 12.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.474 1.109 . . . . 0.0 109.269 -179.93 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.479 ' HG3' ' CE2' ' A' ' 111' ' ' TRP . 0.6 OUTLIER -138.63 120.96 15.94 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.533 1.145 . . . . 0.0 109.275 -179.971 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 31' ' ' PHE . . . . . 0.612 ' CZ ' HD12 ' A' ' 105' ' ' ILE . 55.9 m-85 -92.32 129.77 38.18 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.552 1.157 . . . . 0.0 110.989 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 32' ' ' TRP . . . . . 0.722 ' CE2' HD11 ' A' ' 43' ' ' LEU . 13.1 p-90 -137.26 171.94 13.74 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.529 1.143 . . . . 0.0 108.004 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -135.78 153.94 51.37 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.526 1.142 . . . . 0.0 109.34 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 34' ' ' SER . . . . . 0.502 ' OG ' ' CE3' ' A' ' 80' ' ' TRP . 31.0 t -80.73 -23.54 39.39 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.544 1.153 . . . . 0.0 109.938 -179.903 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 51.2 p-90 -83.76 -2.9 57.26 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.583 1.177 . . . . 0.0 108.022 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 46.2 t -100.75 108.73 55.16 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.556 1.16 . . . . 0.0 108.305 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.9 -37.47 2.09 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.42 1.748 . . . . 0.0 111.104 179.923 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.451 ' O ' HD22 ' A' ' 38' ' ' LEU . 1.7 tm? -62.15 -29.69 70.52 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.543 1.152 . . . . 0.0 109.324 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 39' ' ' CYS . . . . . 0.469 ' O ' HD23 ' A' ' 43' ' ' LEU . 4.3 m -78.61 -46.31 19.61 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.43 1.081 . . . . 0.0 108.291 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 30.4 mt -51.61 -46.12 63.45 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.46 1.1 . . . . 0.0 109.335 179.913 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 24.0 p -63.49 -25.2 68.15 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.49 1.118 . . . . 0.0 110.049 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -88.9 -27.27 21.1 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.46 1.1 . . . . 0.0 110.246 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.722 HD11 ' CE2' ' A' ' 32' ' ' TRP . 0.1 OUTLIER -50.7 -44.95 58.14 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.44 1.088 . . . . 0.0 109.363 179.982 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -60.31 -50.61 65.74 Favored Glycine 0 CA--C 1.532 1.111 0 O-C-N 124.44 1.088 . . . . 0.0 110.991 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 4.9 tp-100 -61.05 -30.53 70.38 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.537 0.786 . . . . 0.0 110.3 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 23.8 m -65.79 -34.15 77.51 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.493 1.121 . . . . 0.0 110.494 179.928 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 47' ' ' GLU . . . . . 0.425 ' OE2' ' N ' ' A' ' 89' ' ' LEU . 58.8 tt0 -71.14 -31.39 67.67 Favored 'General case' 0 C--N 1.327 -0.413 0 O-C-N 124.466 1.104 . . . . 0.0 110.246 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 1.3 tttm -78.18 -31.97 49.88 Favored 'General case' 0 C--N 1.323 -0.554 0 O-C-N 124.589 1.181 . . . . 0.0 109.218 -179.893 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 49' ' ' TRP . . . . . 0.556 ' HB3' ' CE2' ' A' ' 55' ' ' PHE . 45.1 m0 -72.94 -28.09 62.23 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.577 1.173 . . . . 0.0 107.97 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -72.23 -9.01 57.9 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.471 1.107 . . . . 0.0 109.406 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 9.4 mt-30 -103.25 -14.62 16.27 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.496 1.122 . . . . 0.0 110.292 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 52' ' ' ASP . . . . . 0.403 ' OD1' ' N ' ' A' ' 55' ' ' PHE . 1.9 t70 -63.1 133.72 54.91 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.524 1.14 . . . . 0.0 109.278 179.931 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -60.59 -47.44 86.2 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.471 1.107 . . . . 0.0 109.275 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 54' ' ' LYS . . . . . 0.541 ' HD2' HD22 ' A' ' 134' ' ' LEU . 0.3 OUTLIER -50.82 -39.41 53.11 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.44 1.087 . . . . 0.0 109.307 179.967 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 55' ' ' PHE . . . . . 0.608 ' CE1' HD12 ' A' ' 60' ' ' LEU . 0.6 OUTLIER -76.56 -30.69 57.17 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.542 1.151 . . . . 0.0 110.968 -179.958 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 2.3 p -47.17 -39.33 13.55 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.526 1.141 . . . . 0.0 110.079 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -40.82 -56.36 2.22 Favored 'General case' 0 C--N 1.327 -0.413 0 O-C-N 124.489 1.118 . . . . 0.0 110.036 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -104.91 165.6 10.96 Favored 'General case' 0 C--N 1.323 -0.554 0 O-C-N 124.512 1.133 . . . . 0.0 109.264 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 1.4 m-20 -89.23 122.34 32.41 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.589 1.181 . . . . 0.0 109.23 -179.917 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.772 ' C ' HD23 ' A' ' 60' ' ' LEU . 2.2 tt -108.07 126.02 52.25 Favored 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.55 1.156 . . . . 0.0 109.217 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.543 ' N ' HD23 ' A' ' 60' ' ' LEU . 1.0 OUTLIER -152.5 162.12 2.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 O-C-N 124.541 1.15 . . . . 0.0 109.295 179.984 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 62' ' ' THR . . . . . 0.477 ' OG1' HG22 ' A' ' 91' ' ' VAL . 34.5 p -116.83 150.27 38.65 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.441 1.088 . . . . 0.0 110.413 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 63' ' ' VAL . . . . . 0.428 HG23 HG23 ' A' ' 29' ' ' ILE . 2.1 t -119.94 141.72 38.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.558 1.161 . . . . 0.0 109.319 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 64' ' ' ALA . . . . . 0.68 ' CB ' ' CZ ' ' A' ' 77' ' ' PHE . . . -134.63 132.53 39.08 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.474 1.109 . . . . 0.0 109.238 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 22.1 m -108.7 107.92 60.44 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.43 1.081 . . . . 0.0 110.044 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 136.84 20.99 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.505 1.792 . . . . 0.0 111.018 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 75.96 2.9 72.97 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.505 1.128 . . . . 0.0 111.053 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 68' ' ' PHE . . . . . 0.632 ' CE2' HD23 ' A' ' 69' ' ' LEU . 49.8 t80 -117.98 129.99 55.92 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.458 0.74 . . . . 0.0 111.017 179.942 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.632 HD23 ' CE2' ' A' ' 68' ' ' PHE . 1.0 OUTLIER 71.89 35.07 1.4 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 0.0 109.194 179.926 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 10.0 t60 71.07 6.58 5.9 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.461 1.1 . . . . 0.0 109.615 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 71' ' ' GLU . . . . . 0.423 ' HG3' ' N ' ' A' ' 72' ' ' LYS . 6.7 tp10 -61.87 151.66 33.98 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.534 1.146 . . . . 0.0 110.26 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 72' ' ' LYS . . . . . 0.423 ' N ' ' HG3' ' A' ' 71' ' ' GLU . 0.1 OUTLIER -63.0 140.61 58.89 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.503 1.127 . . . . 0.0 109.288 179.991 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.44 161.44 11.76 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.496 1.122 . . . . 0.0 109.317 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -51.65 146.39 7.83 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.513 1.133 . . . . 0.0 109.268 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 86.14 -42.76 3.18 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.542 1.151 . . . . 0.0 111.067 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -75.71 -30.56 59.33 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.501 0.765 . . . . 0.0 109.325 179.9 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 77' ' ' PHE . . . . . 0.68 ' CZ ' ' CB ' ' A' ' 64' ' ' ALA . 73.9 t80 -77.67 -56.68 4.32 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.563 1.164 . . . . 0.0 111.001 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 15.1 pt20 -53.31 -29.86 35.81 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.465 1.103 . . . . 0.0 110.285 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -64.91 -33.56 76.32 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.431 1.082 . . . . 0.0 109.347 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 80' ' ' TRP . . . . . 0.502 ' CE3' ' OG ' ' A' ' 34' ' ' SER . 1.9 t90 . . . . . 0 C--N 1.325 -0.479 0 N-CA-C 107.959 -1.126 . . . . 0.0 107.959 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 3.0 mttm . . . . . 0 N--CA 1.453 -0.317 0 N-CA-C 109.282 -0.636 . . . . 0.0 109.282 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 89' ' ' LEU . . . . . 0.591 HD12 ' HD2' ' A' ' 90' ' ' PRO . 6.5 tp -85.16 119.3 72.3 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.416 1.073 . . . . 0.0 109.249 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 90' ' ' PRO . . . . . 0.591 ' HD2' HD12 ' A' ' 89' ' ' LEU . 18.3 Cg_endo -74.98 127.83 11.01 Favored 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.528 1.804 . . . . 0.0 111.035 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 91' ' ' VAL . . . . . 0.477 HG22 ' OG1' ' A' ' 62' ' ' THR . 3.0 t -147.29 118.31 1.52 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.534 1.146 . . . . 0.0 109.327 179.952 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 92' ' ' VAL . . . . . 0.429 ' O ' ' N ' ' A' ' 64' ' ' ALA . 75.4 t -105.4 135.84 41.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.528 1.142 . . . . 0.0 109.291 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 1.6 p -114.01 112.46 23.3 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.422 1.076 . . . . 0.0 110.33 -179.921 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 94' ' ' ASP . . . . . 0.633 ' HA ' HD12 ' A' ' 9' ' ' LEU . 22.3 t0 -114.76 110.93 20.46 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.514 1.134 . . . . 0.0 109.356 179.923 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 28.2 t-20 -60.13 120.74 10.31 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.5 1.125 . . . . 0.0 109.315 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 83.48 -11.8 54.28 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.543 1.152 . . . . 0.0 110.956 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 56.07 63.16 5.55 Favored Glycine 0 CA--C 1.53 1.01 0 N-CA-C 110.969 -0.853 . . . . 0.0 110.969 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 1.8 m -51.66 -49.35 62.5 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.439 0.729 . . . . 0.0 110.347 -179.942 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 4.3 mt -63.57 -41.87 94.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 O-C-N 124.551 1.157 . . . . 0.0 109.251 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 100' ' ' ALA . . . . . 0.433 ' O ' ' N ' ' A' ' 104' ' ' ASN . . . -63.35 -44.43 94.87 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.551 1.157 . . . . 0.0 109.282 -179.944 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 5.4 mt-30 -72.25 -38.07 68.97 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.546 1.154 . . . . 0.0 110.284 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 34.7 p -61.49 -30.55 70.68 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.508 1.13 . . . . 0.0 110.009 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 103' ' ' LEU . . . . . 0.532 HD22 HD13 ' A' ' 123' ' ' ILE . 7.7 mt -103.36 -11.33 17.97 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.503 1.127 . . . . 0.0 109.337 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 104' ' ' ASN . . . . . 0.433 ' N ' ' O ' ' A' ' 100' ' ' ALA . 15.9 t-20 67.05 58.72 0.56 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.473 1.108 . . . . 0.0 109.293 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 105' ' ' ILE . . . . . 0.612 HD12 ' CZ ' ' A' ' 31' ' ' PHE . 35.4 mt -103.62 85.99 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.46 1.1 . . . . 0.0 109.293 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 85.0 p -105.31 26.14 9.77 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.563 1.164 . . . . 0.0 109.945 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 107' ' ' VAL . . . . . 0.428 ' O ' ' OG ' ' A' ' 110' ' ' SER . 1.4 p -140.35 132.83 32.79 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.561 0 O-C-N 124.58 1.175 . . . . 0.0 109.343 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 108' ' ' TYR . . . . . 0.563 ' CE1' ' HB3' ' A' ' 31' ' ' PHE . 21.9 m-85 -130.73 154.4 81.8 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.556 1.16 . . . . 0.0 111.027 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 109' ' ' PRO . . . . . 0.535 ' C ' ' HA ' ' A' ' 108' ' ' TYR . 18.5 Cg_endo -75.01 -178.6 23.96 Favored 'Cis proline' 0 C--N 1.36 1.181 0 C-N-CA 121.034 -2.486 . . . . 0.0 111.06 -0.037 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 110' ' ' SER . . . . . 0.428 ' OG ' ' O ' ' A' ' 107' ' ' VAL . 0.7 OUTLIER -157.77 164.25 37.26 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.349 1.03 . . . . 0.0 109.937 179.998 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 111' ' ' TRP . . . . . 0.479 ' CE2' ' HG3' ' A' ' 30' ' ' LYS . 71.7 m95 -137.82 137.51 38.24 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.544 1.153 . . . . 0.0 107.998 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 112' ' ' ALA . . . . . 0.492 ' HB3' ' HB ' ' A' ' 29' ' ' ILE . . . -128.65 138.72 52.32 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.439 1.087 . . . . 0.0 109.258 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 20.7 tp -108.79 135.76 49.48 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.543 1.152 . . . . 0.0 109.328 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 114' ' ' ILE . . . . . 0.754 HD13 ' HA ' ' A' ' 120' ' ' VAL . 36.4 mm -121.72 122.11 66.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.603 1.189 . . . . 0.0 109.275 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 115' ' ' GLY . . . . . 0.438 ' N ' ' O ' ' A' ' 119' ' ' ASP . . . -49.6 168.96 0.2 Allowed Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.503 1.127 . . . . 0.0 110.968 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.3 -15.25 63.49 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.533 0.784 . . . . 0.0 109.325 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -81.43 -21.2 39.04 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.583 1.177 . . . . 0.0 109.315 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . 99.54 31.07 6.24 Favored Glycine 0 CA--C 1.529 0.941 0 O-C-N 124.568 1.168 . . . . 0.0 111.019 179.931 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 119' ' ' ASP . . . . . 0.438 ' O ' ' N ' ' A' ' 115' ' ' GLY . 3.1 p-10 -124.18 160.68 27.33 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.47 0.747 . . . . 0.0 109.251 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 120' ' ' VAL . . . . . 0.754 ' HA ' HD13 ' A' ' 114' ' ' ILE . 56.1 t -60.25 117.55 2.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.544 1.152 . . . . 0.0 109.332 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -97.34 -52.81 3.67 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.528 1.142 . . . . 0.0 110.354 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -149.05 157.46 43.42 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.587 1.179 . . . . 0.0 110.303 179.946 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 123' ' ' ILE . . . . . 0.532 HD13 HD22 ' A' ' 103' ' ' LEU . 1.1 tt -119.98 137.95 52.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.476 1.11 . . . . 0.0 109.291 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 72.3 t -135.4 131.1 51.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.549 1.156 . . . . 0.0 109.279 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -120.78 132.1 54.85 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.498 1.124 . . . . 0.0 109.26 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . 123.36 -147.18 16.63 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.484 1.115 . . . . 0.0 111.015 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -127.75 150.16 49.92 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.548 0.793 . . . . 0.0 110.118 179.953 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 128' ' ' ILE . . . . . 0.444 HG22 ' NE2' ' A' ' 132' ' ' GLN . 7.2 pt -131.74 162.55 39.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.448 1.093 . . . . 0.0 109.31 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 129' ' ' ASN . . . . . . . . . . . . . 2.0 p30 -107.01 166.81 10.34 Favored 'General case' 0 C--N 1.323 -0.552 0 O-C-N 124.506 1.129 . . . . 0.0 109.34 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 13.2 tt0 -52.5 -39.29 61.09 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.528 1.142 . . . . 0.0 110.216 -179.886 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -60.5 -50.05 75.09 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.443 1.089 . . . . 0.0 109.272 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 132' ' ' GLN . . . . . 0.444 ' NE2' HG22 ' A' ' 128' ' ' ILE . 26.9 mt-30 -51.01 -44.99 61.07 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.437 1.085 . . . . 0.0 110.317 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -53.47 -49.89 66.48 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.441 1.088 . . . . 0.0 109.286 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 134' ' ' LEU . . . . . 0.541 HD22 ' HD2' ' A' ' 54' ' ' LYS . 11.0 mt . . . . . 0 C--N 1.326 -0.418 0 O-C-N 124.525 1.14 . . . . 0.0 109.375 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.416 HD23 ' HA ' ' A' ' 9' ' ' LEU . 14.9 mt . . . . . 0 N--CA 1.454 -0.247 0 N-CA-C 109.319 -0.623 . . . . 0.0 109.319 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 10.3 mttm -125.71 150.42 47.69 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.495 1.122 . . . . 0.0 109.307 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 11' ' ' THR . . . . . 0.409 ' HA ' ' O ' ' A' ' 91' ' ' VAL . 16.9 p -77.44 179.97 6.14 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.55 1.156 . . . . 0.0 110.461 179.915 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -73.3 -5.15 37.68 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.519 1.137 . . . . 0.0 109.379 179.946 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -104.52 24.34 11.84 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.421 1.075 . . . . 0.0 109.24 -179.921 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER 48.96 41.6 19.16 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.482 1.114 . . . . 0.0 109.361 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -117.99 155.63 50.98 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.58 1.175 . . . . 0.0 110.277 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.07 135.69 19.28 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.461 1.769 . . . . 0.0 111.047 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 17' ' ' ALA . . . . . 0.533 ' HA ' ' CZ ' ' A' ' 20' ' ' TYR . . . -59.48 -26.95 65.68 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.549 1.155 . . . . 0.0 109.354 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 18' ' ' SER . . . . . 0.44 ' HA ' ' CB ' ' A' ' 21' ' ' LEU . 78.0 p -54.94 -24.98 26.41 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.511 1.132 . . . . 0.0 109.987 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 2.8 t -44.94 -42.09 2.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.47 1.106 . . . . 0.0 109.187 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 20' ' ' TYR . . . . . 0.763 ' CE1' HD13 ' A' ' 61' ' ' ILE . 2.8 p90 -112.85 -12.06 13.36 Favored 'General case' 0 C--N 1.323 -0.547 0 O-C-N 124.523 1.139 . . . . 0.0 111.029 -179.946 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.44 ' CB ' ' HA ' ' A' ' 18' ' ' SER . 0.2 OUTLIER -76.24 118.43 18.95 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.535 1.147 . . . . 0.0 109.283 -179.929 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 22' ' ' LYS . . . . . 0.429 ' O ' ' N ' ' A' ' 24' ' ' ASP . 18.3 mttm -113.83 110.9 20.87 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.437 1.086 . . . . 0.0 109.294 -179.954 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.67 57.78 0.13 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.484 1.115 . . . . 0.0 109.261 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 24' ' ' ASP . . . . . 0.429 ' N ' ' O ' ' A' ' 22' ' ' LYS . 1.0 OUTLIER 167.59 38.39 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.541 1.151 . . . . 0.0 109.29 179.981 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 1.3 mtpt -166.22 161.26 12.54 Favored Pre-proline 0 C--N 1.324 -0.53 0 O-C-N 124.432 1.083 . . . . 0.0 109.291 -179.935 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 144.23 29.94 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.463 1.77 . . . . 0.0 111.026 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 89.3 m -126.11 133.95 51.49 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.483 1.114 . . . . 0.0 110.39 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.823 HD21 ' CE3' ' A' ' 111' ' ' TRP . 2.2 tp -115.52 134.66 54.86 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.471 1.107 . . . . 0.0 109.295 -179.944 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.527 ' HB ' ' HB3' ' A' ' 112' ' ' ALA . 5.3 mt -115.79 145.57 21.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.567 1.167 . . . . 0.0 109.307 -179.953 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.531 ' HD3' ' CZ2' ' A' ' 111' ' ' TRP . 0.4 OUTLIER -136.57 111.03 8.53 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.485 1.116 . . . . 0.0 109.314 -179.93 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 31' ' ' PHE . . . . . 0.652 ' CE1' HD11 ' A' ' 105' ' ' ILE . 50.7 m-85 -86.51 132.24 33.97 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.54 1.15 . . . . 0.0 110.959 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 32' ' ' TRP . . . . . 0.958 ' CZ3' HD11 ' A' ' 43' ' ' LEU . 9.7 p-90 -136.75 170.2 16.48 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.496 1.123 . . . . 0.0 107.997 179.948 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -125.79 149.01 48.94 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.452 1.095 . . . . 0.0 109.282 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 34' ' ' SER . . . . . 0.516 ' HA ' HD11 ' A' ' 40' ' ' LEU . 0.1 OUTLIER -78.38 -33.26 49.0 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.463 1.102 . . . . 0.0 109.974 -179.995 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 19.8 p-90 -73.58 -6.55 47.29 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.501 1.126 . . . . 0.0 108.049 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 36' ' ' CYS . . . . . 0.582 ' O ' HD12 ' A' ' 40' ' ' LEU . 48.7 t -97.37 110.75 55.97 Favored Pre-proline 0 C--N 1.326 -0.437 0 O-C-N 124.52 1.138 . . . . 0.0 108.285 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -41.66 0.62 Allowed 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.497 1.788 . . . . 0.0 111.03 179.926 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 2.0 tm? -57.73 -33.17 68.16 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.457 1.098 . . . . 0.0 109.27 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 1.3 m -72.89 -51.42 18.72 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.471 1.107 . . . . 0.0 108.313 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.582 HD12 ' O ' ' A' ' 36' ' ' CYS . 0.6 OUTLIER -52.25 -35.06 48.86 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.525 1.141 . . . . 0.0 109.24 -179.995 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.7 m -73.41 -25.66 60.63 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.523 1.139 . . . . 0.0 109.959 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -84.04 -15.32 47.96 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.547 1.154 . . . . 0.0 110.296 -179.94 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.958 HD11 ' CZ3' ' A' ' 32' ' ' TRP . 60.3 mt -56.96 -55.02 40.0 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.552 1.157 . . . . 0.0 109.315 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -49.93 -50.27 33.2 Favored Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.485 1.116 . . . . 0.0 110.968 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 1.3 tt0 -63.35 -29.32 70.64 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.521 0.777 . . . . 0.0 110.341 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 51.8 m -72.85 -37.25 67.45 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.47 1.107 . . . . 0.0 110.384 179.948 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 27.6 tt0 -67.09 -28.66 68.36 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.496 1.123 . . . . 0.0 110.278 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 11.2 tttt -78.28 -29.22 47.84 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.482 1.113 . . . . 0.0 109.249 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 49' ' ' TRP . . . . . 0.484 ' HB3' ' CE2' ' A' ' 55' ' ' PHE . 45.0 m0 -75.56 -28.08 58.87 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.478 1.111 . . . . 0.0 108.031 -179.932 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -74.31 -9.24 58.4 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.125 . . . . 0.0 109.268 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 10.5 mm-40 -105.09 -12.78 15.98 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.461 1.101 . . . . 0.0 110.225 -179.942 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 2.7 t70 -69.25 128.47 36.7 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.487 1.117 . . . . 0.0 109.277 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -53.94 -48.36 70.32 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.47 1.106 . . . . 0.0 109.353 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 54' ' ' LYS . . . . . 0.555 ' CG ' HD22 ' A' ' 134' ' ' LEU . 0.0 OUTLIER -49.19 -40.62 34.04 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.458 1.099 . . . . 0.0 109.291 179.997 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 55' ' ' PHE . . . . . 0.7 ' CZ ' ' CB ' ' A' ' 133' ' ' ALA . 2.2 m-85 -76.59 -28.34 56.14 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.515 1.134 . . . . 0.0 111.065 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 56' ' ' SER . . . . . 0.4 ' O ' ' C ' ' A' ' 57' ' ' SER . 5.0 t -53.67 -40.19 65.71 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.475 1.11 . . . . 0.0 110.026 179.931 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 57' ' ' SER . . . . . 0.4 ' C ' ' O ' ' A' ' 56' ' ' SER . 0.3 OUTLIER -39.04 -37.1 0.34 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.502 1.126 . . . . 0.0 110.04 179.936 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -125.17 165.64 17.89 Favored 'General case' 0 C--N 1.327 -0.411 0 O-C-N 124.492 1.12 . . . . 0.0 109.219 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 59' ' ' ASN . . . . . 0.461 ' ND2' ' N ' ' A' ' 59' ' ' ASN . 0.3 OUTLIER -89.08 124.11 34.0 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.574 1.171 . . . . 0.0 109.235 -179.988 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.75 ' C ' HD23 ' A' ' 60' ' ' LEU . 2.9 tt -111.72 127.42 55.77 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.555 1.159 . . . . 0.0 109.251 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.881 HD12 HG21 ' A' ' 92' ' ' VAL . 5.8 pt -152.35 161.0 3.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.464 1.102 . . . . 0.0 109.291 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 62' ' ' THR . . . . . 0.413 ' HA ' ' O ' ' A' ' 30' ' ' LYS . 32.5 p -113.26 155.58 24.84 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.509 1.131 . . . . 0.0 110.404 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 63' ' ' VAL . . . . . 0.509 HG23 HG23 ' A' ' 29' ' ' ILE . 2.9 t -125.44 143.24 39.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.493 1.121 . . . . 0.0 109.317 179.917 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 64' ' ' ALA . . . . . 0.461 ' N ' ' O ' ' A' ' 92' ' ' VAL . . . -134.27 150.13 50.98 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.541 1.15 . . . . 0.0 109.306 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 65' ' ' SER . . . . . 0.47 ' CB ' ' HB3' ' A' ' 68' ' ' PHE . 2.9 m -121.68 108.83 34.81 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.529 1.143 . . . . 0.0 109.982 -179.946 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 66' ' ' PRO . . . . . 0.453 ' HA ' ' O ' ' A' ' 72' ' ' LYS . 18.4 Cg_endo -74.96 134.88 18.42 Favored 'Trans proline' 0 C--N 1.359 1.116 0 O-C-N 124.55 1.816 . . . . 0.0 110.989 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 62.89 15.74 55.83 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.512 1.133 . . . . 0.0 110.986 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 68' ' ' PHE . . . . . 0.498 ' CE1' ' HB2' ' A' ' 69' ' ' LEU . 2.9 t80 -123.66 131.65 53.66 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.481 0.754 . . . . 0.0 111.029 179.939 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.973 HD23 ' CE2' ' A' ' 108' ' ' TYR . 6.2 tp 67.79 48.84 0.99 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.464 1.103 . . . . 0.0 109.266 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 98.0 m-70 55.75 23.6 6.49 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.513 1.133 . . . . 0.0 109.641 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 71' ' ' GLU . . . . . 0.436 ' HG3' ' N ' ' A' ' 72' ' ' LYS . 5.5 tp10 -88.53 154.7 20.14 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.426 1.079 . . . . 0.0 110.302 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 72' ' ' LYS . . . . . 0.453 ' O ' ' HA ' ' A' ' 66' ' ' PRO . 0.2 OUTLIER -59.21 141.56 53.97 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.448 1.092 . . . . 0.0 109.311 179.97 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.36 162.28 17.95 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.554 1.159 . . . . 0.0 109.248 -179.915 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -56.08 161.84 2.2 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.512 1.133 . . . . 0.0 109.273 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 78.13 -52.13 3.65 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.53 1.144 . . . . 0.0 110.978 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -63.62 -52.16 62.08 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.544 0.79 . . . . 0.0 109.297 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 68.6 t80 -59.29 -26.97 65.43 Favored 'General case' 0 C--N 1.327 -0.403 0 O-C-N 124.343 1.027 . . . . 0.0 110.992 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 8.3 mt-30 -67.99 -34.88 77.38 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.512 1.133 . . . . 0.0 110.312 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 3.3 mtmt -73.03 -40.2 65.34 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.464 1.103 . . . . 0.0 109.26 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 80' ' ' TRP . . . . . 0.414 ' NE1' HD21 ' A' ' 40' ' ' LEU . 1.2 t90 . . . . . 0 C--N 1.324 -0.509 0 O-C-N 124.565 1.166 . . . . 0.0 107.99 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.453 -0.277 0 N-CA-C 109.234 -0.654 . . . . 0.0 109.234 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 89' ' ' LEU . . . . . 0.939 HD12 ' HD2' ' A' ' 90' ' ' PRO . 4.7 tp -84.94 129.87 54.7 Favored Pre-proline 0 C--N 1.324 -0.531 0 O-C-N 124.533 1.146 . . . . 0.0 109.371 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 90' ' ' PRO . . . . . 0.939 ' HD2' HD12 ' A' ' 89' ' ' LEU . 18.5 Cg_endo -74.94 126.53 10.07 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.47 1.773 . . . . 0.0 111.019 -179.95 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 91' ' ' VAL . . . . . 0.409 ' O ' ' HA ' ' A' ' 11' ' ' THR . 58.2 t -138.01 125.56 29.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.486 1.116 . . . . 0.0 109.35 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 92' ' ' VAL . . . . . 0.881 HG21 HD12 ' A' ' 61' ' ' ILE . 47.5 t -118.46 127.02 75.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.423 1.077 . . . . 0.0 109.373 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 3.4 p -106.59 117.53 34.29 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.511 1.132 . . . . 0.0 110.347 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 94' ' ' ASP . . . . . 0.4 ' O ' ' HD2' ' A' ' 66' ' ' PRO . 63.7 t0 -114.84 109.95 18.94 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.512 1.132 . . . . 0.0 109.334 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 19.1 t-20 -63.98 117.97 7.78 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.43 1.081 . . . . 0.0 109.297 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 88.6 -31.48 4.88 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.493 1.12 . . . . 0.0 111.011 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 77.17 81.41 0.6 Allowed Glycine 0 CA--C 1.531 1.032 0 N-CA-C 110.954 -0.858 . . . . 0.0 110.954 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 1.8 m -75.93 -38.94 57.11 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.491 0.759 . . . . 0.0 110.419 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 2.8 mp -77.54 -36.46 23.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.52 1.137 . . . . 0.0 109.253 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -63.23 -38.51 91.47 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.476 1.11 . . . . 0.0 109.32 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 101' ' ' GLN . . . . . 0.405 ' HG3' ' N ' ' A' ' 102' ' ' SER . 18.7 pt20 -80.35 -38.4 30.6 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.472 1.108 . . . . 0.0 110.245 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 102' ' ' SER . . . . . 0.405 ' N ' ' HG3' ' A' ' 101' ' ' GLN . 18.3 t -56.37 -41.49 76.28 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.469 1.105 . . . . 0.0 110.003 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 103' ' ' LEU . . . . . 0.779 HD22 HD11 ' A' ' 123' ' ' ILE . 5.5 mt -87.07 -19.4 28.65 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.515 1.134 . . . . 0.0 109.387 179.95 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 12.0 t-20 68.28 53.41 0.6 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.476 1.11 . . . . 0.0 109.307 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 105' ' ' ILE . . . . . 0.652 HD11 ' CE1' ' A' ' 31' ' ' PHE . 68.3 mt -73.23 -100.43 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 O-C-N 124.515 1.134 . . . . 0.0 109.207 -179.942 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 106' ' ' SER . . . . . 0.535 ' CB ' ' O ' ' A' ' 105' ' ' ILE . 1.3 p 87.55 -18.89 0.26 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.519 1.137 . . . . 0.0 110.024 -179.896 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 5.0 m -110.36 131.78 60.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.124 . . . . 0.0 109.226 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 108' ' ' TYR . . . . . 0.973 ' CE2' HD23 ' A' ' 69' ' ' LEU . 20.9 m-85 -131.81 152.16 79.83 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.525 1.14 . . . . 0.0 111.033 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 109' ' ' PRO . . . . . 0.538 ' C ' ' HA ' ' A' ' 108' ' ' TYR . 18.5 Cg_endo -75.0 169.79 73.6 Favored 'Cis proline' 0 C--N 1.36 1.141 0 C-N-CA 121.015 -2.494 . . . . 0.0 111.008 0.002 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -144.84 163.05 35.25 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.509 1.131 . . . . 0.0 109.946 -179.923 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 111' ' ' TRP . . . . . 0.823 ' CE3' HD21 ' A' ' 28' ' ' LEU . 33.4 m95 -134.92 138.37 44.03 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.533 1.146 . . . . 0.0 107.939 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 112' ' ' ALA . . . . . 0.527 ' HB3' ' HB ' ' A' ' 29' ' ' ILE . . . -129.34 135.84 49.24 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.486 1.116 . . . . 0.0 109.295 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 50.4 tp -109.14 132.26 54.28 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.487 1.117 . . . . 0.0 109.33 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 114' ' ' ILE . . . . . 0.595 HD13 ' HA ' ' A' ' 120' ' ' VAL . 35.0 mm -121.36 125.83 74.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.492 1.12 . . . . 0.0 109.284 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 115' ' ' GLY . . . . . 0.473 ' CA ' ' HG3' ' A' ' 121' ' ' GLN . . . -54.3 165.99 2.45 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.522 1.139 . . . . 0.0 110.949 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -67.14 -14.38 62.85 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.491 0.759 . . . . 0.0 109.333 179.944 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -83.29 -23.41 32.64 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.484 1.115 . . . . 0.0 109.34 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . 102.48 28.29 6.43 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.468 1.105 . . . . 0.0 111.06 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 5.6 p-10 -118.04 154.55 31.85 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.564 0.803 . . . . 0.0 109.298 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 120' ' ' VAL . . . . . 0.595 ' HA ' HD13 ' A' ' 114' ' ' ILE . 81.2 t -60.87 115.73 1.61 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.437 1.086 . . . . 0.0 109.292 -179.901 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 121' ' ' GLN . . . . . 0.473 ' HG3' ' CA ' ' A' ' 115' ' ' GLY . 3.2 mt-30 -89.92 -60.3 1.97 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.506 1.129 . . . . 0.0 110.349 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -148.89 156.88 42.94 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.466 1.104 . . . . 0.0 110.275 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 123' ' ' ILE . . . . . 0.779 HD11 HD22 ' A' ' 103' ' ' LEU . 8.3 mm -121.76 134.74 64.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.503 1.127 . . . . 0.0 109.281 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 71.6 t -127.92 115.35 38.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.542 1.151 . . . . 0.0 109.273 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -95.32 137.02 34.95 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.511 1.132 . . . . 0.0 109.286 179.952 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . 109.1 -152.02 17.08 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.448 1.093 . . . . 0.0 111.027 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 1.3 m -118.81 159.02 24.49 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.503 0.766 . . . . 0.0 109.941 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 128' ' ' ILE . . . . . 0.741 HG22 ' CD ' ' A' ' 132' ' ' GLN . 3.4 pt -137.27 166.78 24.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.556 1.16 . . . . 0.0 109.366 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 129' ' ' ASN . . . . . 0.724 ' ND2' ' HB3' ' A' ' 131' ' ' ALA . 1.4 p-10 -107.5 167.89 9.62 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.496 1.123 . . . . 0.0 109.34 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 130' ' ' GLU . . . . . 0.422 ' HB2' ' CZ2' ' A' ' 49' ' ' TRP . 29.1 tt0 -51.58 -44.77 62.89 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.475 1.109 . . . . 0.0 110.399 179.928 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 131' ' ' ALA . . . . . 0.724 ' HB3' ' ND2' ' A' ' 129' ' ' ASN . . . -55.28 -50.23 70.07 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.612 1.195 . . . . 0.0 109.32 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 132' ' ' GLN . . . . . 0.741 ' CD ' HG22 ' A' ' 128' ' ' ILE . 8.7 mt-30 -51.46 -44.23 62.33 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.514 1.134 . . . . 0.0 110.295 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 133' ' ' ALA . . . . . 0.7 ' CB ' ' CZ ' ' A' ' 55' ' ' PHE . . . -55.96 -46.13 78.7 Favored 'General case' 0 C--N 1.323 -0.547 0 O-C-N 124.476 1.11 . . . . 0.0 109.306 179.926 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 134' ' ' LEU . . . . . 0.555 HD22 ' CG ' ' A' ' 54' ' ' LYS . 36.7 mt . . . . . 0 C--N 1.325 -0.496 0 O-C-N 124.4 1.062 . . . . 0.0 109.347 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.508 HD13 ' HA ' ' A' ' 9' ' ' LEU . 1.9 mm? . . . . . 0 N--CA 1.454 -0.258 0 N-CA-C 109.278 -0.638 . . . . 0.0 109.278 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 10.9 mtmm -105.17 153.97 20.82 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.476 1.11 . . . . 0.0 109.347 179.909 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 11' ' ' THR . . . . . 0.42 ' HA ' ' O ' ' A' ' 91' ' ' VAL . 41.3 p -81.53 176.79 9.38 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.496 1.122 . . . . 0.0 110.438 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -72.52 -14.28 61.61 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.489 1.118 . . . . 0.0 109.357 179.938 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 8.5 p-10 -99.87 27.22 5.61 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.423 1.077 . . . . 0.0 109.374 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER 47.32 64.7 1.48 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.616 1.197 . . . . 0.0 109.249 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 1.1 mtt-85 -139.35 150.05 62.72 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.462 1.101 . . . . 0.0 110.349 179.923 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 16' ' ' PRO . . . . . 0.85 ' O ' HG23 ' A' ' 19' ' ' VAL . 18.3 Cg_endo -75.06 128.97 11.86 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.521 1.801 . . . . 0.0 111.042 179.954 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -55.06 -22.91 17.59 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.523 1.14 . . . . 0.0 109.35 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -61.08 -19.51 61.51 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.542 1.151 . . . . 0.0 109.98 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.85 HG23 ' O ' ' A' ' 16' ' ' PRO . 44.3 t -43.42 -43.52 1.52 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.522 1.139 . . . . 0.0 109.27 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 20' ' ' TYR . . . . . 0.53 ' CZ ' HG21 ' A' ' 61' ' ' ILE . 8.3 p90 -111.35 -11.51 14.15 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.381 1.051 . . . . 0.0 111.016 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.498 ' O ' ' CB ' ' A' ' 22' ' ' LYS . 0.4 OUTLIER -89.34 107.03 18.83 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.509 1.13 . . . . 0.0 109.329 179.942 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 22' ' ' LYS . . . . . 0.498 ' CB ' ' O ' ' A' ' 21' ' ' LEU . 0.0 OUTLIER 163.35 -174.62 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.489 1.118 . . . . 0.0 109.222 -179.989 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER 67.88 24.84 7.97 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.514 1.134 . . . . 0.0 109.297 -179.938 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 58.7 m-20 44.05 39.11 2.59 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.555 1.16 . . . . 0.0 109.342 -179.937 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -104.69 161.14 23.71 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.362 1.038 . . . . 0.0 109.357 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 156.09 43.02 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.528 1.804 . . . . 0.0 111.026 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 27' ' ' THR . . . . . 0.447 HG23 ' HB2' ' A' ' 59' ' ' ASN . 81.3 m -133.25 139.63 47.05 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.404 1.065 . . . . 0.0 110.351 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.616 HD12 ' O ' ' A' ' 112' ' ' ALA . 47.1 tp -120.09 136.19 54.67 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.431 1.082 . . . . 0.0 109.269 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.541 HG23 HG23 ' A' ' 63' ' ' VAL . 2.5 mt -113.88 148.59 16.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.467 1.104 . . . . 0.0 109.266 -179.955 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.407 ' HA ' ' O ' ' A' ' 110' ' ' SER . 12.3 tttt -138.78 113.07 8.75 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.44 1.087 . . . . 0.0 109.339 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 31' ' ' PHE . . . . . 0.593 ' HB3' ' CE1' ' A' ' 108' ' ' TYR . 70.6 m-85 -87.4 131.36 34.33 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.485 1.115 . . . . 0.0 111.011 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 32' ' ' TRP . . . . . 1.046 ' CZ3' HD11 ' A' ' 43' ' ' LEU . 11.0 p-90 -136.78 170.14 16.58 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.526 1.141 . . . . 0.0 108.013 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -128.42 151.42 49.4 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.597 1.186 . . . . 0.0 109.349 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -79.71 -28.34 40.62 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.504 1.127 . . . . 0.0 110.006 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 45.5 p-90 -82.11 0.64 39.77 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 107.945 -1.132 . . . . 0.0 107.945 -179.889 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 47.4 t -100.41 108.94 55.35 Favored Pre-proline 0 C--N 1.324 -0.531 0 O-C-N 124.492 1.12 . . . . 0.0 108.255 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.0 -29.66 7.99 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.498 1.789 . . . . 0.0 110.962 179.934 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.447 ' O ' HD22 ' A' ' 38' ' ' LEU . 1.5 tm? -68.25 -30.9 70.04 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.439 1.087 . . . . 0.0 109.284 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 1.3 m -78.33 -44.02 26.27 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.55 1.156 . . . . 0.0 108.298 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.582 HD23 HD12 ' A' ' 43' ' ' LEU . 4.4 mt -51.61 -42.94 62.35 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.525 1.141 . . . . 0.0 109.279 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 82.0 p -68.23 -26.09 65.53 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.539 1.149 . . . . 0.0 109.953 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 42' ' ' GLU . . . . . 0.404 ' O ' ' N ' ' A' ' 46' ' ' THR . 1.5 tt0 -84.49 -23.58 29.79 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.567 1.167 . . . . 0.0 110.271 -179.919 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 1.046 HD11 ' CZ3' ' A' ' 32' ' ' TRP . 76.4 mt -49.43 -54.77 15.83 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.49 1.118 . . . . 0.0 109.316 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -55.63 -51.17 56.67 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.564 1.165 . . . . 0.0 110.972 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 2.8 tp-100 -61.22 -33.78 74.05 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.486 0.757 . . . . 0.0 110.328 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 46' ' ' THR . . . . . 0.404 ' N ' ' O ' ' A' ' 42' ' ' GLU . 31.6 m -68.02 -35.11 77.74 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.53 1.144 . . . . 0.0 110.428 179.854 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 47' ' ' GLU . . . . . 0.446 ' CG ' ' HB2' ' A' ' 89' ' ' LEU . 60.3 tt0 -67.57 -32.44 73.2 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.457 1.098 . . . . 0.0 110.289 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.9 -31.9 51.47 Favored 'General case' 0 C--N 1.323 -0.55 0 O-C-N 124.583 1.177 . . . . 0.0 109.288 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 49' ' ' TRP . . . . . 0.512 ' CE2' ' HB2' ' A' ' 130' ' ' GLU . 46.8 m0 -77.59 -28.58 51.69 Favored 'General case' 0 C--N 1.325 -0.5 0 N-CA-C 107.988 -1.115 . . . . 0.0 107.988 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -76.83 -17.35 59.05 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.482 1.114 . . . . 0.0 109.282 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -109.43 3.88 21.85 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.475 1.11 . . . . 0.0 110.325 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 52' ' ' ASP . . . . . 0.428 ' O ' ' N ' ' A' ' 56' ' ' SER . 0.9 OUTLIER -73.15 134.2 44.35 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.461 1.101 . . . . 0.0 109.244 -179.895 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -53.22 -52.01 60.3 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.535 1.147 . . . . 0.0 109.324 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 54' ' ' LYS . . . . . 0.549 ' CG ' HD22 ' A' ' 134' ' ' LEU . 0.6 OUTLIER -49.0 -43.8 40.64 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.506 1.129 . . . . 0.0 109.243 179.969 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 55' ' ' PHE . . . . . 0.943 ' CE1' HD12 ' A' ' 60' ' ' LEU . 0.1 OUTLIER -77.11 -27.43 54.06 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.501 1.125 . . . . 0.0 111.029 -179.978 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 56' ' ' SER . . . . . 0.428 ' N ' ' O ' ' A' ' 52' ' ' ASP . 12.1 t -45.91 -35.67 4.78 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.457 1.098 . . . . 0.0 109.978 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -46.38 -61.78 1.65 Allowed 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.452 1.095 . . . . 0.0 110.044 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -97.29 165.91 11.8 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.446 1.091 . . . . 0.0 109.325 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 59' ' ' ASN . . . . . 0.447 ' HB2' HG23 ' A' ' 27' ' ' THR . 52.2 m-20 -88.79 130.31 35.39 Favored 'General case' 0 C--N 1.323 -0.547 0 O-C-N 124.565 1.166 . . . . 0.0 109.337 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.943 HD12 ' CE1' ' A' ' 55' ' ' PHE . 5.7 tt -121.16 126.44 49.71 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.455 1.097 . . . . 0.0 109.332 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.612 ' N ' HD23 ' A' ' 60' ' ' LEU . 1.9 pp -150.6 161.26 3.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.454 1.096 . . . . 0.0 109.323 -179.957 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 38.8 p -110.15 156.66 20.31 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.562 1.164 . . . . 0.0 110.428 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 63' ' ' VAL . . . . . 0.541 HG23 HG23 ' A' ' 29' ' ' ILE . 2.6 t -127.14 142.16 44.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.51 1.131 . . . . 0.0 109.282 -179.948 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 64' ' ' ALA . . . . . 0.429 ' N ' ' O ' ' A' ' 92' ' ' VAL . . . -133.82 147.31 51.2 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.481 1.113 . . . . 0.0 109.307 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 57.5 p -121.24 108.45 36.08 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.548 1.155 . . . . 0.0 109.95 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.95 136.8 20.99 Favored 'Trans proline' 0 C--N 1.361 1.219 0 O-C-N 124.437 1.756 . . . . 0.0 110.98 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 68.72 11.03 62.08 Favored Glycine 0 CA--C 1.529 0.906 0 O-C-N 124.457 1.098 . . . . 0.0 111.049 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 68' ' ' PHE . . . . . 0.749 ' CD1' HD23 ' A' ' 69' ' ' LEU . 10.1 t80 -123.91 130.43 52.59 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.51 0.77 . . . . 0.0 110.947 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.749 HD23 ' CD1' ' A' ' 68' ' ' PHE . 2.7 mm? 69.08 48.39 0.69 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.51 1.131 . . . . 0.0 109.259 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 29.9 m-70 53.63 22.54 3.11 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.511 1.132 . . . . 0.0 109.621 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 71' ' ' GLU . . . . . 0.403 ' OE1' ' HA ' ' A' ' 71' ' ' GLU . 5.5 tp10 -83.52 151.87 25.19 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.43 1.082 . . . . 0.0 110.356 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 5.0 mmtt -60.1 137.27 58.14 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.381 1.05 . . . . 0.0 109.37 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 4.4 mtmt -63.15 165.7 6.92 Favored 'General case' 0 C--N 1.323 -0.566 0 O-C-N 124.522 1.139 . . . . 0.0 109.328 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -54.06 161.25 1.29 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.559 1.162 . . . . 0.0 109.229 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 77.41 -53.03 3.51 Favored Glycine 0 CA--C 1.531 1.087 0 O-C-N 124.491 1.12 . . . . 0.0 110.979 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -61.55 -52.46 64.35 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.528 0.781 . . . . 0.0 109.359 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 59.5 t80 -59.25 -27.16 65.53 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.505 1.128 . . . . 0.0 110.966 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 6.3 mt-30 -69.97 -30.26 67.57 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.486 1.116 . . . . 0.0 110.309 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -81.45 -37.86 27.33 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.511 1.132 . . . . 0.0 109.293 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 80' ' ' TRP . . . . . . . . . . . . . 2.1 t90 . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.552 1.158 . . . . 0.0 108.078 179.945 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.453 -0.295 0 N-CA-C 109.334 -0.617 . . . . 0.0 109.334 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 89' ' ' LEU . . . . . 0.901 HD12 ' HD2' ' A' ' 90' ' ' PRO . 4.5 tp -116.31 127.54 26.68 Favored Pre-proline 0 C--N 1.326 -0.442 0 O-C-N 124.533 1.145 . . . . 0.0 109.357 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 90' ' ' PRO . . . . . 0.901 ' HD2' HD12 ' A' ' 89' ' ' LEU . 18.3 Cg_endo -75.07 127.2 10.44 Favored 'Trans proline' 0 C--N 1.359 1.105 0 O-C-N 124.62 1.852 . . . . 0.0 110.939 -179.941 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 91' ' ' VAL . . . . . 0.42 ' O ' ' HA ' ' A' ' 11' ' ' THR . 71.1 t -139.0 128.9 31.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.52 1.138 . . . . 0.0 109.368 179.938 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 92' ' ' VAL . . . . . 0.552 ' CG2' HD13 ' A' ' 61' ' ' ILE . 69.0 t -123.07 129.96 74.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.477 1.111 . . . . 0.0 109.288 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 4.7 p -113.42 117.46 31.79 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.446 1.091 . . . . 0.0 110.449 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 61.4 t0 -114.81 111.49 21.31 Favored 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.473 1.108 . . . . 0.0 109.3 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 1.5 m120 -58.85 113.79 2.23 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.477 1.111 . . . . 0.0 109.321 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 87.41 -18.17 39.21 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.52 1.137 . . . . 0.0 111.032 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 63.31 67.31 2.12 Favored Glycine 0 CA--C 1.531 1.079 0 N-CA-C 111.011 -0.835 . . . . 0.0 111.011 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 98' ' ' THR . . . . . 0.455 ' O ' ' CB ' ' A' ' 102' ' ' SER . 2.4 m -56.3 -34.22 66.3 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.578 0.81 . . . . 0.0 110.442 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 3.3 mt -74.99 -35.48 35.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.541 1.151 . . . . 0.0 109.226 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 100' ' ' ALA . . . . . 0.493 ' HA ' HD12 ' A' ' 105' ' ' ILE . . . -69.36 -40.2 77.64 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.532 1.145 . . . . 0.0 109.243 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 34.4 mt-30 -80.49 -35.86 34.14 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.508 1.13 . . . . 0.0 110.301 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 102' ' ' SER . . . . . 0.455 ' CB ' ' O ' ' A' ' 98' ' ' THR . 4.3 m -61.03 -47.11 87.95 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.541 1.151 . . . . 0.0 110.032 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 103' ' ' LEU . . . . . 0.61 HD13 HD12 ' A' ' 123' ' ' ILE . 10.4 mt -87.1 -6.69 58.59 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.502 1.126 . . . . 0.0 109.358 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 104' ' ' ASN . . . . . 0.41 ' O ' ' CG ' ' A' ' 104' ' ' ASN . 13.2 t-20 58.14 63.05 1.85 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.547 1.154 . . . . 0.0 109.332 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 105' ' ' ILE . . . . . 0.53 HG12 HD11 ' A' ' 123' ' ' ILE . 9.8 mt -95.63 -77.62 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.541 1.15 . . . . 0.0 109.272 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 1.6 p 53.77 26.01 5.64 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.536 1.147 . . . . 0.0 109.998 -179.928 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 107' ' ' VAL . . . . . 0.412 ' H ' HG22 ' A' ' 105' ' ' ILE . 7.6 p -141.55 132.57 26.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.557 1.161 . . . . 0.0 109.282 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 108' ' ' TYR . . . . . 0.593 ' CE1' ' HB3' ' A' ' 31' ' ' PHE . 15.3 m-85 -131.54 152.71 80.93 Favored Pre-proline 0 C--N 1.326 -0.435 0 O-C-N 124.436 1.085 . . . . 0.0 110.949 -179.922 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 109' ' ' PRO . . . . . 0.534 ' C ' ' HA ' ' A' ' 108' ' ' TYR . 18.4 Cg_endo -75.04 166.99 81.8 Favored 'Cis proline' 0 C--N 1.359 1.105 0 C-N-CA 121.059 -2.475 . . . . 0.0 110.948 0.092 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 110' ' ' SER . . . . . 0.407 ' O ' ' HA ' ' A' ' 30' ' ' LYS . 2.8 m -149.48 151.78 34.52 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.513 1.133 . . . . 0.0 110.009 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 111' ' ' TRP . . . . . . . . . . . . . 60.0 m95 -129.98 138.18 50.7 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.437 1.085 . . . . 0.0 108.073 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 112' ' ' ALA . . . . . 0.616 ' O ' HD12 ' A' ' 28' ' ' LEU . . . -134.53 137.65 44.0 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.573 1.171 . . . . 0.0 109.295 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 36.3 tp -108.46 139.19 43.55 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.422 1.076 . . . . 0.0 109.342 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 114' ' ' ILE . . . . . 0.53 HD13 ' HA ' ' A' ' 120' ' ' VAL . 43.5 mm -121.12 118.84 57.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.516 1.135 . . . . 0.0 109.305 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -41.18 161.88 0.02 OUTLIER Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.48 1.113 . . . . 0.0 111.03 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 9.2 pttt -68.59 -10.61 57.0 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.537 0.787 . . . . 0.0 109.347 179.919 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -89.67 -21.71 22.62 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.504 1.127 . . . . 0.0 109.29 -179.899 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . 102.2 31.92 5.13 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.497 1.123 . . . . 0.0 110.997 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 2.1 p-10 -121.7 149.97 42.46 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.49 0.759 . . . . 0.0 109.304 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 120' ' ' VAL . . . . . 0.53 ' HA ' HD13 ' A' ' 114' ' ' ILE . 29.5 t -55.73 116.96 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.442 1.089 . . . . 0.0 109.332 179.888 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -91.38 -61.99 1.53 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.546 1.154 . . . . 0.0 110.32 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 122' ' ' ARG . . . . . 0.408 ' CZ ' ' CB ' ' A' ' 122' ' ' ARG . 0.2 OUTLIER -158.33 155.06 28.11 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.493 1.121 . . . . 0.0 110.333 179.989 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 123' ' ' ILE . . . . . 0.61 HD12 HD13 ' A' ' 103' ' ' LEU . 2.9 tt -114.12 141.23 31.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.595 1.184 . . . . 0.0 109.328 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 85.6 t -125.41 124.9 67.99 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.555 0 O-C-N 124.509 1.131 . . . . 0.0 109.35 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 3.2 ptpt -105.58 118.0 35.46 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.46 1.1 . . . . 0.0 109.268 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . 131.54 -159.08 23.06 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.493 1.12 . . . . 0.0 110.98 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 1.8 m -117.5 162.78 17.42 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.473 0.749 . . . . 0.0 109.996 -179.916 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 128' ' ' ILE . . . . . . . . . . . . . 10.6 pt -139.01 163.21 27.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.578 1.174 . . . . 0.0 109.217 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 129' ' ' ASN . . . . . 0.506 ' OD1' ' HB3' ' A' ' 131' ' ' ALA . 1.1 p30 -107.71 167.78 9.72 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.464 1.102 . . . . 0.0 109.363 179.914 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 130' ' ' GLU . . . . . 0.512 ' HB2' ' CE2' ' A' ' 49' ' ' TRP . 0.7 OUTLIER -53.69 -31.78 49.21 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.515 1.134 . . . . 0.0 110.259 179.976 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 131' ' ' ALA . . . . . 0.506 ' HB3' ' OD1' ' A' ' 129' ' ' ASN . . . -65.82 -51.6 57.57 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.55 1.156 . . . . 0.0 109.304 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -51.66 -42.46 62.12 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.5 1.125 . . . . 0.0 110.327 179.948 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 133' ' ' ALA . . . . . 0.57 ' HB1' ' CZ ' ' A' ' 55' ' ' PHE . . . -54.54 -45.86 73.51 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.559 1.162 . . . . 0.0 109.247 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 134' ' ' LEU . . . . . 0.549 HD22 ' CG ' ' A' ' 54' ' ' LYS . 8.2 mt . . . . . 0 C--N 1.324 -0.503 0 O-C-N 124.484 1.115 . . . . 0.0 109.324 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.589 HD11 ' CB ' ' A' ' 94' ' ' ASP . 3.7 mm? . . . . . 0 N--CA 1.454 -0.249 0 N-CA-C 109.284 -0.636 . . . . 0.0 109.284 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 10' ' ' LYS . . . . . 0.41 ' HA ' ' O ' ' A' ' 15' ' ' ARG . 0.4 OUTLIER -100.31 150.48 22.53 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.547 1.155 . . . . 0.0 109.253 179.956 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 11' ' ' THR . . . . . 0.571 HG22 HG22 ' A' ' 92' ' ' VAL . 34.3 p -88.62 175.2 7.64 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.502 1.126 . . . . 0.0 110.379 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -57.69 -21.03 38.05 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.477 1.111 . . . . 0.0 109.288 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -89.47 15.72 8.81 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.472 1.108 . . . . 0.0 109.295 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 52.57 30.22 8.25 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.507 1.129 . . . . 0.0 109.317 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 15' ' ' ARG . . . . . 0.41 ' O ' ' HA ' ' A' ' 10' ' ' LYS . 6.8 mtp180 -102.23 156.15 35.59 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.476 1.11 . . . . 0.0 110.311 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.13 124.61 8.67 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.486 1.782 . . . . 0.0 110.99 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 17' ' ' ALA . . . . . 0.439 ' HB2' ' O ' ' A' ' 9' ' ' LEU . . . -46.16 -32.08 2.77 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.469 1.105 . . . . 0.0 109.339 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 24.8 p -51.21 -23.48 3.44 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.476 1.11 . . . . 0.0 109.949 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 20.1 t -64.26 -27.51 42.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.457 1.098 . . . . 0.0 109.361 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 14.8 m-85 -124.01 22.32 8.8 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.437 1.086 . . . . 0.0 110.998 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -120.5 110.92 17.05 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.479 1.112 . . . . 0.0 109.27 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -96.34 108.53 21.06 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.504 1.127 . . . . 0.0 109.319 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 9.9 mttt -72.38 53.59 0.3 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.492 1.12 . . . . 0.0 109.319 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 10.4 p-10 174.1 36.2 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.459 1.099 . . . . 0.0 109.32 -179.937 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -169.05 162.47 7.79 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.466 1.104 . . . . 0.0 109.306 -179.9 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 148.4 35.12 Favored 'Trans proline' 0 C--N 1.361 1.227 0 O-C-N 124.412 1.743 . . . . 0.0 111.038 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 27' ' ' THR . . . . . 0.549 HG23 ' HB2' ' A' ' 59' ' ' ASN . 39.7 m -130.17 125.4 34.93 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.513 1.133 . . . . 0.0 110.415 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 8.8 tp -105.84 127.9 53.41 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.506 1.129 . . . . 0.0 109.319 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.441 HG23 HG23 ' A' ' 63' ' ' VAL . 14.2 mt -110.78 148.7 13.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.588 1.18 . . . . 0.0 109.296 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.558 ' HB2' ' CE3' ' A' ' 111' ' ' TRP . 1.0 OUTLIER -138.92 113.24 8.81 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.417 1.073 . . . . 0.0 109.348 179.983 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 31' ' ' PHE . . . . . 0.699 ' CE1' ' CD1' ' A' ' 105' ' ' ILE . 59.1 m-85 -84.96 132.54 34.34 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.492 1.12 . . . . 0.0 111.062 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 32' ' ' TRP . . . . . 0.682 ' CZ3' HD21 ' A' ' 43' ' ' LEU . 4.8 p-90 -137.47 166.83 22.93 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 107.978 -1.119 . . . . 0.0 107.978 -179.878 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 33' ' ' ALA . . . . . 0.53 ' HB1' ' NE1' ' A' ' 35' ' ' TRP . . . -128.31 127.9 43.59 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.492 1.12 . . . . 0.0 109.284 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 5.2 m -54.11 -30.0 47.01 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.575 1.172 . . . . 0.0 110.004 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 35' ' ' TRP . . . . . 0.53 ' NE1' ' HB1' ' A' ' 33' ' ' ALA . 24.2 p-90 -76.69 -25.0 53.15 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.51 1.131 . . . . 0.0 108.022 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 36' ' ' CYS . . . . . 0.467 ' HB2' ' HB3' ' A' ' 33' ' ' ALA . 48.5 t -70.83 114.33 25.98 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.484 1.115 . . . . 0.0 108.305 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -42.37 0.52 Allowed 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.502 1.79 . . . . 0.0 110.972 -179.917 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.616 HD23 ' O ' ' A' ' 38' ' ' LEU . 5.3 tt -57.47 -34.24 68.82 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.47 1.106 . . . . 0.0 109.352 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 41.8 m -74.39 -43.45 56.37 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.54 1.15 . . . . 0.0 108.28 -179.92 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.477 ' HA ' HD12 ' A' ' 43' ' ' LEU . 46.5 mt -51.18 -48.7 61.86 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.47 1.106 . . . . 0.0 109.312 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -69.19 -24.99 64.11 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.543 1.152 . . . . 0.0 110.075 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 2.4 tp10 -77.45 -26.33 51.39 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.569 1.168 . . . . 0.0 110.312 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.682 HD21 ' CZ3' ' A' ' 32' ' ' TRP . 55.7 mt -44.18 -54.54 5.55 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.47 1.106 . . . . 0.0 109.287 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -51.32 -50.5 40.5 Favored Glycine 0 CA--C 1.531 1.057 0 O-C-N 124.481 1.113 . . . . 0.0 110.946 -179.936 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 45' ' ' GLN . . . . . 0.444 ' CG ' ' CE2' ' A' ' 49' ' ' TRP . 3.5 tt0 -61.06 -29.32 69.67 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.541 0.789 . . . . 0.0 110.265 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 46' ' ' THR . . . . . 0.526 ' O ' ' HB2' ' A' ' 50' ' ' ALA . 97.7 m -75.85 -39.79 55.93 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.59 1.181 . . . . 0.0 110.413 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 47' ' ' GLU . . . . . 0.441 ' OE2' ' N ' ' A' ' 89' ' ' LEU . 4.9 tt0 -65.81 -35.08 79.69 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.459 1.1 . . . . 0.0 110.3 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 48' ' ' LYS . . . . . 0.413 ' O ' ' HG2' ' A' ' 51' ' ' GLN . 1.6 tttm -76.55 -56.61 4.46 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.444 1.09 . . . . 0.0 109.234 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 49' ' ' TRP . . . . . 0.453 ' HB3' ' CE2' ' A' ' 55' ' ' PHE . 46.9 m0 -54.97 -26.15 34.62 Favored 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.494 1.121 . . . . 0.0 108.04 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.526 ' HB2' ' O ' ' A' ' 46' ' ' THR . . . -68.96 -9.64 53.21 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.591 1.182 . . . . 0.0 109.294 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 51' ' ' GLN . . . . . 0.413 ' HG2' ' O ' ' A' ' 48' ' ' LYS . 3.5 pt20 -111.71 -9.84 14.1 Favored 'General case' 0 C--N 1.326 -0.414 0 O-C-N 124.509 1.13 . . . . 0.0 110.317 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 52' ' ' ASP . . . . . 0.431 ' OD1' ' N ' ' A' ' 55' ' ' PHE . 0.8 OUTLIER -58.68 123.66 17.11 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.535 1.147 . . . . 0.0 109.359 179.969 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 53' ' ' ALA . . . . . 0.443 ' O ' ' N ' ' A' ' 56' ' ' SER . . . -55.3 -50.9 68.36 Favored 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.499 1.124 . . . . 0.0 109.23 -179.939 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 1.2 mmtm -48.65 -33.9 10.79 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.464 1.103 . . . . 0.0 109.35 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 55' ' ' PHE . . . . . 0.777 ' CZ ' HD12 ' A' ' 60' ' ' LEU . 0.1 OUTLIER -76.84 -28.04 55.33 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.526 1.141 . . . . 0.0 111.035 179.918 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 56' ' ' SER . . . . . 0.443 ' N ' ' O ' ' A' ' 53' ' ' ALA . 50.0 m -46.99 -40.84 15.25 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.509 1.13 . . . . 0.0 110.029 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 57' ' ' SER . . . . . 0.403 ' C ' ' O ' ' A' ' 56' ' ' SER . 0.3 OUTLIER -39.26 -33.29 0.14 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.482 1.114 . . . . 0.0 109.981 179.997 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 58' ' ' ALA . . . . . 0.4 ' O ' ' O ' ' A' ' 55' ' ' PHE . . . -132.35 164.63 26.04 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.534 1.146 . . . . 0.0 109.273 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 59' ' ' ASN . . . . . 0.549 ' HB2' HG23 ' A' ' 27' ' ' THR . 2.1 m120 -89.6 122.37 32.68 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.536 1.147 . . . . 0.0 109.337 179.93 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.787 ' C ' HD23 ' A' ' 60' ' ' LEU . 1.8 tt -105.87 125.42 50.97 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.496 1.123 . . . . 0.0 109.326 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.497 ' N ' HD23 ' A' ' 60' ' ' LEU . 0.9 OUTLIER -153.84 163.15 1.88 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.564 1.165 . . . . 0.0 109.305 179.977 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 62' ' ' THR . . . . . 0.467 ' HB ' ' CD1' ' A' ' 32' ' ' TRP . 30.4 p -115.57 154.7 28.93 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.525 1.141 . . . . 0.0 110.447 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 63' ' ' VAL . . . . . 0.562 HG22 ' HB ' ' A' ' 92' ' ' VAL . 3.0 t -126.55 145.11 34.63 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 O-C-N 124.557 1.161 . . . . 0.0 109.411 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 64' ' ' ALA . . . . . 0.565 ' CB ' ' CZ ' ' A' ' 77' ' ' PHE . . . -133.94 149.77 51.28 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.418 1.074 . . . . 0.0 109.228 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 65' ' ' SER . . . . . 0.401 ' CB ' ' HB3' ' A' ' 68' ' ' PHE . 3.3 t -123.15 108.52 32.11 Favored Pre-proline 0 C--N 1.326 -0.435 0 O-C-N 124.397 1.06 . . . . 0.0 109.958 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 66' ' ' PRO . . . . . 0.436 ' HA ' ' O ' ' A' ' 72' ' ' LYS . 18.5 Cg_endo -75.03 135.6 19.23 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.585 1.834 . . . . 0.0 111.032 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 69.78 6.97 57.8 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.54 1.15 . . . . 0.0 110.945 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 68' ' ' PHE . . . . . 0.476 ' CE1' HD13 ' A' ' 69' ' ' LEU . 39.8 t80 -125.09 128.81 49.05 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.483 0.755 . . . . 0.0 110.992 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 1.074 HD23 ' CE2' ' A' ' 108' ' ' TYR . 0.8 OUTLIER 77.08 21.44 1.11 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.511 1.132 . . . . 0.0 109.331 -179.955 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER 70.93 22.6 4.58 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.518 1.136 . . . . 0.0 109.549 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 71' ' ' GLU . . . . . 0.403 ' O ' ' C ' ' A' ' 72' ' ' LYS . 0.1 OUTLIER -85.9 145.02 27.35 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.432 1.083 . . . . 0.0 110.308 179.997 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 72' ' ' LYS . . . . . 0.436 ' O ' ' HA ' ' A' ' 66' ' ' PRO . 1.0 OUTLIER -39.65 142.44 0.31 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.497 1.123 . . . . 0.0 109.212 -179.969 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 4.5 tttp -70.45 159.22 34.63 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.571 1.169 . . . . 0.0 109.292 179.939 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 10.3 t0 -50.51 142.13 11.19 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.472 1.108 . . . . 0.0 109.318 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 89.35 -40.14 3.08 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.481 1.113 . . . . 0.0 111.066 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -78.09 -33.36 50.72 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.48 0.753 . . . . 0.0 109.354 179.936 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 77' ' ' PHE . . . . . 0.565 ' CZ ' ' CB ' ' A' ' 64' ' ' ALA . 32.6 t80 -69.09 -58.05 4.6 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.543 1.152 . . . . 0.0 111.007 179.91 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -54.19 -34.44 60.53 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.498 1.124 . . . . 0.0 110.264 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 11.5 mttt -62.24 -43.13 99.52 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.552 1.157 . . . . 0.0 109.281 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 80' ' ' TRP . . . . . . . . . . . . . 1.3 t90 . . . . . 0 C--N 1.324 -0.531 0 O-C-N 124.521 1.138 . . . . 0.0 108.013 -179.935 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 22.8 tttp . . . . . 0 N--CA 1.453 -0.302 0 N-CA-C 109.259 -0.645 . . . . 0.0 109.259 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 89' ' ' LEU . . . . . 0.963 HD23 ' HD2' ' A' ' 90' ' ' PRO . 0.7 OUTLIER -71.29 122.41 87.0 Favored Pre-proline 0 C--N 1.324 -0.518 0 O-C-N 124.543 1.152 . . . . 0.0 109.263 -179.936 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 90' ' ' PRO . . . . . 0.963 ' HD2' HD23 ' A' ' 89' ' ' LEU . 17.9 Cg_endo -74.96 128.41 11.49 Favored 'Trans proline' 0 C--N 1.361 1.209 0 O-C-N 124.525 1.803 . . . . 0.0 110.938 -179.949 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 91' ' ' VAL . . . . . 0.438 HG22 ' OG1' ' A' ' 62' ' ' THR . 55.2 t -147.41 125.23 3.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.48 1.113 . . . . 0.0 109.308 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 92' ' ' VAL . . . . . 0.571 HG22 HG22 ' A' ' 11' ' ' THR . 39.7 t -108.7 145.56 15.47 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.546 1.154 . . . . 0.0 109.32 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 93' ' ' THR . . . . . 0.498 ' CG2' ' CE1' ' A' ' 77' ' ' PHE . 2.2 p -123.19 114.27 20.05 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.428 1.08 . . . . 0.0 110.417 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 94' ' ' ASP . . . . . 0.589 ' CB ' HD11 ' A' ' 9' ' ' LEU . 67.7 t0 -114.93 110.34 19.49 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.563 1.164 . . . . 0.0 109.304 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 17.7 t-20 -60.55 110.38 1.26 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.467 1.104 . . . . 0.0 109.288 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 90.07 -26.69 9.41 Favored Glycine 0 CA--C 1.529 0.933 0 O-C-N 124.569 1.168 . . . . 0.0 111.024 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 72.33 74.11 0.79 Allowed Glycine 0 CA--C 1.528 0.901 0 N-CA-C 110.988 -0.845 . . . . 0.0 110.988 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 98' ' ' THR . . . . . 0.492 ' O ' ' CB ' ' A' ' 102' ' ' SER . 1.4 m -62.2 -37.45 85.36 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.466 0.745 . . . . 0.0 110.315 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 3.7 mt -81.59 -39.01 16.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.524 1.14 . . . . 0.0 109.311 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -63.81 -47.68 79.87 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.47 1.107 . . . . 0.0 109.261 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 8.3 pt20 -72.94 -32.35 65.21 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.505 1.128 . . . . 0.0 110.28 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 102' ' ' SER . . . . . 0.492 ' CB ' ' O ' ' A' ' 98' ' ' THR . 10.7 t -68.37 -21.57 64.71 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.549 1.156 . . . . 0.0 109.997 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 17.1 mt -106.08 -8.29 17.56 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.448 1.093 . . . . 0.0 109.261 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 7.0 t-20 70.96 47.02 0.44 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.451 1.094 . . . . 0.0 109.31 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 105' ' ' ILE . . . . . 0.699 ' CD1' ' CE1' ' A' ' 31' ' ' PHE . 14.6 mt -85.61 116.79 29.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.409 1.068 . . . . 0.0 109.28 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 6.3 p -145.42 26.6 1.29 Allowed 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.553 1.158 . . . . 0.0 109.954 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 1.5 p -146.66 132.85 13.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.572 1.17 . . . . 0.0 109.229 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 108' ' ' TYR . . . . . 1.074 ' CE2' HD23 ' A' ' 69' ' ' LEU . 20.7 m-30 -130.57 153.37 81.44 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.515 1.135 . . . . 0.0 111.055 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 109' ' ' PRO . . . . . 0.523 ' C ' ' HA ' ' A' ' 108' ' ' TYR . 18.5 Cg_endo -74.89 162.71 92.25 Favored 'Cis proline' 0 C--N 1.359 1.096 0 C-N-CA 121.083 -2.465 . . . . 0.0 111.021 -0.039 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -136.03 163.22 30.81 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.52 1.138 . . . . 0.0 110.009 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 111' ' ' TRP . . . . . 0.558 ' CE3' ' HB2' ' A' ' 30' ' ' LYS . 85.7 m95 -139.86 141.89 36.6 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.505 1.128 . . . . 0.0 108.043 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -135.47 131.7 36.46 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.493 1.12 . . . . 0.0 109.258 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 26.4 tp -108.61 123.7 49.35 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.548 1.155 . . . . 0.0 109.248 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 30.1 mm -112.38 120.45 62.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.527 1.142 . . . . 0.0 109.358 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 115' ' ' GLY . . . . . 0.42 ' N ' ' O ' ' A' ' 119' ' ' ASP . . . -45.87 171.53 0.02 OUTLIER Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.514 1.134 . . . . 0.0 111.0 -179.945 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -79.3 0.84 27.18 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.515 0.773 . . . . 0.0 109.271 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -103.02 -1.2 29.66 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.453 1.095 . . . . 0.0 109.324 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . 81.69 34.43 25.02 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.425 1.078 . . . . 0.0 110.982 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 119' ' ' ASP . . . . . 0.42 ' O ' ' N ' ' A' ' 115' ' ' GLY . 3.5 p-10 -124.65 159.78 30.01 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.572 0.807 . . . . 0.0 109.258 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 42.6 t -65.94 117.5 6.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.491 1.119 . . . . 0.0 109.27 -179.943 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 13.9 tt0 -92.4 -62.29 1.43 Allowed 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.544 1.153 . . . . 0.0 110.259 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 7.6 ttp85 -150.0 158.41 44.14 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.455 1.097 . . . . 0.0 110.244 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 123' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -123.27 141.57 43.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.539 1.149 . . . . 0.0 109.317 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 96.4 t -134.75 120.03 30.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.556 1.16 . . . . 0.0 109.304 179.892 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 54.4 mttt -104.31 110.66 22.97 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.543 1.152 . . . . 0.0 109.301 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . 136.32 -164.1 25.1 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.54 1.15 . . . . 0.0 111.073 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -112.34 139.09 48.19 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.553 0.796 . . . . 0.0 109.959 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 128' ' ' ILE . . . . . 0.47 HG22 ' NE2' ' A' ' 132' ' ' GLN . 7.7 pt -116.86 162.77 14.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.535 1.147 . . . . 0.0 109.276 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 129' ' ' ASN . . . . . . . . . . . . . 1.3 p30 -108.63 166.66 10.63 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.485 1.116 . . . . 0.0 109.318 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 130' ' ' GLU . . . . . 0.411 ' HB2' ' CZ2' ' A' ' 49' ' ' TRP . 1.6 tt0 -46.89 -46.04 20.87 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.482 1.114 . . . . 0.0 110.254 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -52.25 -52.57 51.8 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.489 1.118 . . . . 0.0 109.29 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 132' ' ' GLN . . . . . 0.47 ' NE2' HG22 ' A' ' 128' ' ' ILE . 1.3 mt-30 -51.07 -45.78 61.52 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.369 1.043 . . . . 0.0 110.308 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -54.08 -50.54 66.55 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.474 1.109 . . . . 0.0 109.284 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 10.9 mt . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.45 1.094 . . . . 0.0 109.388 179.927 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.51 HD11 ' HA ' ' A' ' 94' ' ' ASP . 0.5 OUTLIER . . . . . 0 N--CA 1.453 -0.277 0 N-CA-C 109.275 -0.639 . . . . 0.0 109.275 . . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 14.4 mttt -106.21 154.48 20.66 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.483 1.115 . . . . 0.0 109.245 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 11' ' ' THR . . . . . 0.489 HG22 HG22 ' A' ' 92' ' ' VAL . 39.8 p -89.79 175.56 7.18 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.54 1.15 . . . . 0.0 110.451 179.916 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -61.16 -15.25 31.74 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.575 1.172 . . . . 0.0 109.318 179.928 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -95.6 22.9 6.58 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.423 1.077 . . . . 0.0 109.244 -179.929 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 48.68 30.09 2.43 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.505 1.128 . . . . 0.0 109.333 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 5.2 mtm180 -102.11 148.17 35.0 Favored Pre-proline 0 C--N 1.326 -0.44 0 O-C-N 124.34 1.025 . . . . 0.0 110.28 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 16' ' ' PRO . . . . . 0.43 ' HG2' HG23 ' A' ' 19' ' ' VAL . 18.4 Cg_endo -74.95 130.16 13.07 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.545 1.813 . . . . 0.0 111.005 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -57.27 -23.73 50.22 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.567 1.167 . . . . 0.0 109.265 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 30.2 t -56.13 -30.74 62.55 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.502 1.126 . . . . 0.0 110.011 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.43 HG23 ' HG2' ' A' ' 16' ' ' PRO . 97.6 t -57.03 -31.98 38.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.471 1.107 . . . . 0.0 109.302 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 15.5 m-85 -116.77 24.16 11.45 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.487 1.117 . . . . 0.0 111.052 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -125.21 116.36 21.87 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.542 1.151 . . . . 0.0 109.365 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -100.96 124.13 46.19 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.517 1.135 . . . . 0.0 109.295 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.408 ' O ' ' CB ' ' A' ' 24' ' ' ASP . 21.8 mmtm -72.89 54.3 0.37 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.49 1.119 . . . . 0.0 109.298 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 24' ' ' ASP . . . . . 0.408 ' CB ' ' O ' ' A' ' 23' ' ' LYS . 1.2 p-10 162.54 39.7 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.512 1.132 . . . . 0.0 109.354 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 12.5 mmtm -153.27 151.43 25.78 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.583 1.177 . . . . 0.0 109.34 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.09 126.31 9.83 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.523 1.801 . . . . 0.0 110.985 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 64.0 m -109.32 139.41 44.3 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.464 1.103 . . . . 0.0 110.381 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.412 HD12 ' O ' ' A' ' 112' ' ' ALA . 13.6 tp -123.65 127.79 48.73 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.445 1.091 . . . . 0.0 109.332 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.603 ' HB ' ' HB3' ' A' ' 112' ' ' ALA . 4.0 mt -108.33 149.97 11.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.548 1.155 . . . . 0.0 109.251 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.563 ' HB2' ' CE3' ' A' ' 111' ' ' TRP . 6.2 tptp -137.21 117.29 13.39 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.523 1.139 . . . . 0.0 109.297 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 31' ' ' PHE . . . . . 0.696 ' CZ ' ' CD1' ' A' ' 105' ' ' ILE . 65.8 m-85 -88.29 140.46 29.46 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.521 1.138 . . . . 0.0 110.966 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 32' ' ' TRP . . . . . 0.772 ' CZ3' HD11 ' A' ' 43' ' ' LEU . 28.3 p-90 -151.21 170.67 18.91 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.568 1.168 . . . . 0.0 108.013 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 33' ' ' ALA . . . . . 0.503 ' HB1' ' CE2' ' A' ' 35' ' ' TRP . . . -132.46 154.79 49.53 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.563 1.164 . . . . 0.0 109.308 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 34' ' ' SER . . . . . 0.445 ' HB3' ' CZ3' ' A' ' 80' ' ' TRP . 0.4 OUTLIER -78.57 -30.53 46.83 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.506 1.129 . . . . 0.0 109.989 -179.945 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 35' ' ' TRP . . . . . 0.503 ' CE2' ' HB1' ' A' ' 33' ' ' ALA . 10.4 p-90 -73.41 -6.77 48.4 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.496 1.123 . . . . 0.0 108.039 179.934 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 49.1 t -96.33 111.43 56.68 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.5 1.125 . . . . 0.0 108.289 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 -33.93 4.21 Favored 'Trans proline' 0 C--N 1.361 1.213 0 O-C-N 124.446 1.761 . . . . 0.0 111.0 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.45 ' O ' HD22 ' A' ' 38' ' ' LEU . 1.5 tm? -63.53 -31.95 73.27 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.579 1.175 . . . . 0.0 109.271 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -78.52 -43.28 27.26 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.487 1.117 . . . . 0.0 108.372 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.533 HD23 ' CD1' ' A' ' 43' ' ' LEU . 16.5 mt -51.36 -47.91 62.66 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.571 1.17 . . . . 0.0 109.304 179.912 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 6.4 p -68.24 -24.94 64.96 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.482 1.114 . . . . 0.0 109.939 -179.927 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 21.3 tt0 -82.2 -23.8 35.25 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.498 1.124 . . . . 0.0 110.285 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.772 HD11 ' CZ3' ' A' ' 32' ' ' TRP . 79.7 mt -46.73 -54.48 9.61 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.449 1.093 . . . . 0.0 109.23 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -57.59 -51.18 59.41 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.46 1.1 . . . . 0.0 111.036 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 45' ' ' GLN . . . . . 0.482 ' HG2' ' CZ2' ' A' ' 49' ' ' TRP . 1.3 tt0 -54.78 -34.0 62.09 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.473 0.749 . . . . 0.0 110.26 -179.891 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 86.0 m -65.69 -42.58 91.06 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.513 1.133 . . . . 0.0 110.41 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 21.7 tt0 -59.3 -47.82 83.95 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.496 1.123 . . . . 0.0 110.302 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 3.5 ttmt -61.76 -32.49 72.74 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.466 1.104 . . . . 0.0 109.33 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 49' ' ' TRP . . . . . 0.482 ' CZ2' ' HG2' ' A' ' 45' ' ' GLN . 46.3 m0 -78.15 -31.26 49.68 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 107.975 -1.12 . . . . 0.0 107.975 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -79.12 -11.47 59.98 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.594 1.184 . . . . 0.0 109.199 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 1.2 pp0? -109.15 1.62 20.47 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.641 1.213 . . . . 0.0 110.343 179.939 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 52' ' ' ASP . . . . . 0.454 ' OD1' ' N ' ' A' ' 55' ' ' PHE . 3.0 t70 -76.0 134.16 40.21 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.494 1.121 . . . . 0.0 109.309 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -57.75 -53.82 53.83 Favored 'General case' 0 C--N 1.323 -0.55 0 O-C-N 124.49 1.119 . . . . 0.0 109.344 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 54' ' ' LYS . . . . . 0.52 ' HB3' HD22 ' A' ' 134' ' ' LEU . 3.3 mmtm -46.77 -41.44 15.32 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.467 1.105 . . . . 0.0 109.321 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 55' ' ' PHE . . . . . 0.957 ' CZ ' HD12 ' A' ' 60' ' ' LEU . 0.1 OUTLIER -77.53 -27.36 51.62 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.34 1.025 . . . . 0.0 111.069 179.933 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 56' ' ' SER . . . . . 0.403 ' O ' ' C ' ' A' ' 57' ' ' SER . 12.0 t -45.8 -40.93 10.32 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.565 1.166 . . . . 0.0 109.941 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 57' ' ' SER . . . . . 0.403 ' C ' ' O ' ' A' ' 56' ' ' SER . 16.9 t -38.78 -61.85 0.68 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.486 1.116 . . . . 0.0 109.958 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -98.45 165.65 11.74 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.591 1.182 . . . . 0.0 109.35 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 11.8 m-20 -89.09 133.57 34.32 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.413 1.071 . . . . 0.0 109.24 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.957 HD12 ' CZ ' ' A' ' 55' ' ' PHE . 3.1 tt -125.79 126.39 44.46 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.491 1.119 . . . . 0.0 109.282 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.783 ' N ' HD23 ' A' ' 60' ' ' LEU . 9.4 pt -151.92 162.3 2.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.472 1.107 . . . . 0.0 109.266 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 18.5 p -112.22 157.24 21.14 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.597 1.186 . . . . 0.0 110.398 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 63' ' ' VAL . . . . . 0.558 HG22 ' HB ' ' A' ' 92' ' ' VAL . 2.4 t -129.82 144.82 36.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 O-C-N 124.552 1.158 . . . . 0.0 109.318 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 64' ' ' ALA . . . . . 0.668 ' CB ' ' CZ ' ' A' ' 77' ' ' PHE . . . -133.45 149.41 51.77 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.542 1.151 . . . . 0.0 109.261 -179.939 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 65' ' ' SER . . . . . 0.47 ' HB3' ' CB ' ' A' ' 68' ' ' PHE . 74.6 m -120.23 108.63 37.89 Favored Pre-proline 0 C--N 1.324 -0.518 0 O-C-N 124.593 1.183 . . . . 0.0 109.96 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.01 131.25 14.07 Favored 'Trans proline' 0 C--N 1.359 1.108 0 O-C-N 124.504 1.792 . . . . 0.0 110.965 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 74.66 7.41 79.75 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.467 1.104 . . . . 0.0 110.979 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 68' ' ' PHE . . . . . 0.559 ' CD2' HD13 ' A' ' 69' ' ' LEU . 2.4 t80 -108.64 133.52 52.63 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.406 0.709 . . . . 0.0 110.994 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.559 HD13 ' CD2' ' A' ' 68' ' ' PHE . 9.9 mp 57.27 45.32 20.49 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.569 1.168 . . . . 0.0 109.36 -179.919 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER 57.49 41.25 26.29 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.586 1.179 . . . . 0.0 109.575 179.916 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 71' ' ' GLU . . . . . 0.418 ' HG3' ' N ' ' A' ' 72' ' ' LYS . 4.2 tp10 -100.32 148.92 24.15 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.461 1.101 . . . . 0.0 110.332 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 72' ' ' LYS . . . . . 0.418 ' N ' ' HG3' ' A' ' 71' ' ' GLU . 19.0 mttt -50.95 133.03 27.36 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.506 1.129 . . . . 0.0 109.324 -179.949 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 2.3 ttmt -65.46 163.2 16.32 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.439 1.087 . . . . 0.0 109.325 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -50.79 149.4 3.42 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.474 1.109 . . . . 0.0 109.359 179.946 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 82.53 -50.45 4.35 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.487 1.117 . . . . 0.0 111.013 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -71.8 -31.02 66.15 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.499 0.764 . . . . 0.0 109.269 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 77' ' ' PHE . . . . . 0.668 ' CZ ' ' CB ' ' A' ' 64' ' ' ALA . 21.1 t80 -77.52 -57.04 4.04 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.442 1.089 . . . . 0.0 111.035 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 17.9 pt20 -50.75 -27.56 7.4 Favored 'General case' 0 C--N 1.327 -0.397 0 O-C-N 124.502 1.126 . . . . 0.0 110.278 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 8.8 mtmt -67.24 -43.28 82.35 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.49 1.119 . . . . 0.0 109.31 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 80' ' ' TRP . . . . . 0.445 ' CZ3' ' HB3' ' A' ' 34' ' ' SER . 3.0 t90 . . . . . 0 C--N 1.325 -0.499 0 O-C-N 124.542 1.151 . . . . 0.0 107.99 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 45.1 mttt . . . . . 0 N--CA 1.453 -0.299 0 N-CA-C 109.269 -0.641 . . . . 0.0 109.269 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 89' ' ' LEU . . . . . 0.901 HD12 ' HD2' ' A' ' 90' ' ' PRO . 0.1 OUTLIER -76.81 136.87 66.57 Favored Pre-proline 0 C--N 1.324 -0.543 0 O-C-N 124.539 1.149 . . . . 0.0 109.232 179.99 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 90' ' ' PRO . . . . . 0.901 ' HD2' HD12 ' A' ' 89' ' ' LEU . 18.1 Cg_endo -74.99 127.55 10.78 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.426 1.75 . . . . 0.0 110.973 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 91' ' ' VAL . . . . . 0.406 ' O ' ' HB ' ' A' ' 11' ' ' THR . 17.2 t -143.38 119.78 5.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 O-C-N 124.514 1.134 . . . . 0.0 109.339 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 92' ' ' VAL . . . . . 0.686 HG21 HD12 ' A' ' 61' ' ' ILE . 61.6 t -109.23 138.15 37.93 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 O-C-N 124.577 1.173 . . . . 0.0 109.241 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 93' ' ' THR . . . . . 0.492 HG22 ' CE1' ' A' ' 77' ' ' PHE . 3.9 p -118.77 117.17 28.16 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.536 1.147 . . . . 0.0 110.396 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 94' ' ' ASP . . . . . 0.715 ' OD2' HD12 ' A' ' 99' ' ' ILE . 60.6 t0 -114.76 111.63 21.55 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.5 1.125 . . . . 0.0 109.372 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 2.7 m120 -60.45 115.92 3.92 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.422 1.076 . . . . 0.0 109.297 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 87.8 -19.77 31.72 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.408 1.068 . . . . 0.0 110.991 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 64.31 71.76 0.81 Allowed Glycine 0 CA--C 1.53 0.989 0 N-CA-C 110.977 -0.849 . . . . 0.0 110.977 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 1.8 m -67.27 -35.36 79.35 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.478 0.752 . . . . 0.0 110.379 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 99' ' ' ILE . . . . . 0.715 HD12 ' OD2' ' A' ' 94' ' ' ASP . 2.7 mp -74.21 -33.6 35.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.454 1.096 . . . . 0.0 109.292 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 100' ' ' ALA . . . . . 0.585 ' HA ' HD12 ' A' ' 105' ' ' ILE . . . -71.45 -38.85 71.27 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.598 1.187 . . . . 0.0 109.316 -179.947 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 1.9 mt-30 -80.46 -35.16 35.29 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.446 1.091 . . . . 0.0 110.256 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 3.5 m -64.98 -37.55 88.04 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.445 1.09 . . . . 0.0 109.957 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 103' ' ' LEU . . . . . 0.798 ' HB3' HD13 ' A' ' 123' ' ' ILE . 44.4 mt -91.45 -2.43 57.26 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 0.0 109.277 -179.909 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 15.9 t-20 57.31 57.66 4.33 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.494 1.121 . . . . 0.0 109.326 -179.894 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 105' ' ' ILE . . . . . 0.783 HG22 ' H ' ' A' ' 107' ' ' VAL . 88.3 mt -89.58 -82.43 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.528 1.142 . . . . 0.0 109.233 -179.945 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 106' ' ' SER . . . . . 0.411 ' OG ' ' O ' ' A' ' 105' ' ' ILE . 12.6 p 53.9 26.13 5.94 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.551 1.157 . . . . 0.0 110.0 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 107' ' ' VAL . . . . . 0.783 ' H ' HG22 ' A' ' 105' ' ' ILE . 7.4 p -148.7 132.22 7.97 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 O-C-N 124.408 1.067 . . . . 0.0 109.289 179.941 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 108' ' ' TYR . . . . . 0.588 ' CE1' ' HB3' ' A' ' 31' ' ' PHE . 14.5 m-85 -131.34 152.44 80.54 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.497 1.123 . . . . 0.0 110.969 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 109' ' ' PRO . . . . . 0.527 ' C ' ' HA ' ' A' ' 108' ' ' TYR . 18.3 Cg_endo -74.96 165.06 86.92 Favored 'Cis proline' 0 C--N 1.36 1.176 0 C-N-CA 120.99 -2.504 . . . . 0.0 111.023 -0.077 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -145.18 160.86 40.79 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.589 1.181 . . . . 0.0 110.026 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 111' ' ' TRP . . . . . 0.563 ' CE3' ' HB2' ' A' ' 30' ' ' LYS . 91.2 m95 -134.82 139.88 45.42 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.497 1.123 . . . . 0.0 107.97 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 112' ' ' ALA . . . . . 0.603 ' HB3' ' HB ' ' A' ' 29' ' ' ILE . . . -129.15 134.09 47.89 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.481 1.113 . . . . 0.0 109.313 179.881 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 28.0 tp -108.89 123.95 49.89 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.567 1.167 . . . . 0.0 109.27 179.919 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 45.4 mm -112.19 125.39 69.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.428 1.08 . . . . 0.0 109.271 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -49.72 166.8 0.35 Allowed Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.525 1.141 . . . . 0.0 110.996 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -68.98 -11.68 60.96 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.43 0.724 . . . . 0.0 109.278 -179.95 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -86.56 -21.03 27.11 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.506 1.129 . . . . 0.0 109.333 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . 99.78 29.02 7.12 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.487 1.117 . . . . 0.0 110.971 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 1.6 p-10 -119.52 159.0 25.15 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.427 0.722 . . . . 0.0 109.236 -179.939 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 55.6 t -58.49 116.02 1.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.533 1.146 . . . . 0.0 109.305 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 32.5 tt0 -92.89 -61.77 1.52 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.588 1.18 . . . . 0.0 110.294 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -156.33 153.16 28.57 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.532 1.145 . . . . 0.0 110.299 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 123' ' ' ILE . . . . . 0.798 HD13 ' HB3' ' A' ' 103' ' ' LEU . 1.8 tp -106.75 137.35 37.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.479 1.112 . . . . 0.0 109.264 -179.949 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 80.2 t -127.84 111.28 24.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.502 1.126 . . . . 0.0 109.329 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -98.77 127.0 44.56 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.521 1.138 . . . . 0.0 109.314 179.922 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . 129.01 -156.75 21.34 Favored Glycine 0 CA--C 1.529 0.913 0 O-C-N 124.487 1.117 . . . . 0.0 111.008 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -128.46 147.13 50.65 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.455 0.738 . . . . 0.0 110.014 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 128' ' ' ILE . . . . . 0.408 ' HA ' ' OE1' ' A' ' 132' ' ' GLN . 5.2 pt -127.47 162.38 33.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.482 1.114 . . . . 0.0 109.332 -179.922 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 129' ' ' ASN . . . . . . . . . . . . . 2.8 p30 -110.36 167.54 10.12 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.5 1.125 . . . . 0.0 109.32 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 130' ' ' GLU . . . . . 0.406 ' OE2' ' HB3' ' A' ' 133' ' ' ALA . 7.0 tp10 -48.76 -43.48 37.85 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.513 1.133 . . . . 0.0 110.326 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -51.23 -55.59 17.33 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.509 1.131 . . . . 0.0 109.257 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 132' ' ' GLN . . . . . 0.408 ' OE1' ' HA ' ' A' ' 128' ' ' ILE . 4.2 mt-30 -50.91 -47.34 60.86 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.455 1.097 . . . . 0.0 110.3 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 133' ' ' ALA . . . . . 0.406 ' HB3' ' OE2' ' A' ' 130' ' ' GLU . . . -51.84 -46.83 64.53 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.418 1.074 . . . . 0.0 109.341 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 134' ' ' LEU . . . . . 0.52 HD22 ' HB3' ' A' ' 54' ' ' LYS . 16.1 mt . . . . . 0 C--N 1.325 -0.5 0 O-C-N 124.59 1.181 . . . . 0.0 109.3 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.698 HD11 ' CB ' ' A' ' 94' ' ' ASP . 4.0 mm? . . . . . 0 N--CA 1.454 -0.232 0 N-CA-C 109.317 -0.623 . . . . 0.0 109.317 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 10' ' ' LYS . . . . . 0.417 ' HA ' ' O ' ' A' ' 15' ' ' ARG . 6.6 mttt -112.95 140.54 47.68 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.466 1.104 . . . . 0.0 109.29 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 11' ' ' THR . . . . . 0.533 HG22 HG22 ' A' ' 92' ' ' VAL . 20.9 p -78.37 178.13 7.93 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.578 1.173 . . . . 0.0 110.394 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -72.27 -5.86 39.01 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.545 1.153 . . . . 0.0 109.226 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 13' ' ' ASP . . . . . 0.407 ' OD2' ' N ' ' A' ' 13' ' ' ASP . 0.0 OUTLIER -102.66 23.72 11.6 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.522 1.139 . . . . 0.0 109.29 -179.997 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER 48.64 42.83 19.96 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.563 1.164 . . . . 0.0 109.322 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 15' ' ' ARG . . . . . 0.417 ' O ' ' HA ' ' A' ' 10' ' ' LYS . 5.6 mtt-85 -122.33 159.53 51.94 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.571 1.169 . . . . 0.0 110.273 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.84 132.26 15.44 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.484 1.781 . . . . 0.0 111.039 179.881 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 17' ' ' ALA . . . . . 0.491 ' HB1' ' OH ' ' A' ' 20' ' ' TYR . . . -54.45 -27.43 37.3 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.498 1.124 . . . . 0.0 109.301 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 18' ' ' SER . . . . . 0.422 ' HA ' ' CB ' ' A' ' 21' ' ' LEU . 57.6 p -56.45 -26.59 54.28 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.454 1.096 . . . . 0.0 109.983 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 2.6 t -40.14 -47.8 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 O-C-N 124.557 1.16 . . . . 0.0 109.299 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 20' ' ' TYR . . . . . 0.621 ' OH ' HG21 ' A' ' 92' ' ' VAL . 17.6 p90 -104.16 -17.29 14.95 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.437 1.086 . . . . 0.0 110.978 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.478 HD12 ' CE1' ' A' ' 20' ' ' TYR . 0.1 OUTLIER -75.79 119.79 20.28 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.451 1.094 . . . . 0.0 109.331 179.963 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 22' ' ' LYS . . . . . 0.415 ' O ' ' N ' ' A' ' 24' ' ' ASP . 5.6 mttm -124.59 110.42 14.4 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.564 1.165 . . . . 0.0 109.361 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 1.2 tttt -70.55 54.97 0.16 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.563 1.164 . . . . 0.0 109.294 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 24' ' ' ASP . . . . . 0.415 ' N ' ' O ' ' A' ' 22' ' ' LYS . 34.6 t70 -175.55 31.28 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.46 1.1 . . . . 0.0 109.317 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.486 ' CE ' ' OD1' ' A' ' 59' ' ' ASN . 0.1 OUTLIER -171.8 162.07 4.74 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.509 1.131 . . . . 0.0 109.267 -179.974 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.06 149.15 36.03 Favored 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.402 1.738 . . . . 0.0 110.997 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 27' ' ' THR . . . . . 0.873 HG23 ' HB2' ' A' ' 59' ' ' ASN . 54.6 m -133.26 132.65 41.67 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.437 1.086 . . . . 0.0 110.409 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.662 HD21 ' CE3' ' A' ' 111' ' ' TRP . 7.5 tp -112.8 129.43 56.44 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.47 1.106 . . . . 0.0 109.255 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.527 HD11 HG13 ' A' ' 114' ' ' ILE . 1.5 mp -110.24 150.82 12.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.466 1.104 . . . . 0.0 109.348 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.94 ' HZ1' HD12 ' A' ' 60' ' ' LEU . 1.1 mppt? -139.05 117.0 11.63 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.594 1.184 . . . . 0.0 109.288 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 31' ' ' PHE . . . . . 0.58 ' HB3' ' CE1' ' A' ' 108' ' ' TYR . 71.1 m-85 -86.89 131.36 34.13 Favored 'General case' 0 C--N 1.323 -0.545 0 O-C-N 124.557 1.16 . . . . 0.0 111.075 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 32' ' ' TRP . . . . . 1.083 ' CZ3' HD11 ' A' ' 43' ' ' LEU . 10.6 p-90 -139.51 167.91 21.03 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.473 1.108 . . . . 0.0 108.01 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -132.45 156.42 46.75 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.522 1.139 . . . . 0.0 109.236 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 32.5 t -80.16 -25.03 39.98 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.506 1.129 . . . . 0.0 109.98 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 35' ' ' TRP . . . . . 0.454 ' CD1' ' HG2' ' A' ' 71' ' ' GLU . 14.0 p-90 -84.97 -2.25 57.71 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 108.006 -1.109 . . . . 0.0 108.006 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 36' ' ' CYS . . . . . 0.676 ' O ' HD12 ' A' ' 40' ' ' LEU . 48.8 t -99.21 115.33 65.8 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.521 1.138 . . . . 0.0 108.254 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.04 -54.39 0.09 OUTLIER 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.472 1.775 . . . . 0.0 110.991 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 3.0 tt -48.11 -27.27 2.25 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.546 1.154 . . . . 0.0 109.325 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 6.3 m -78.63 -54.45 6.11 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.483 1.114 . . . . 0.0 108.345 179.938 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.676 HD12 ' O ' ' A' ' 36' ' ' CYS . 0.3 OUTLIER -51.92 -37.39 52.43 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.435 1.084 . . . . 0.0 109.33 179.955 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 2.9 p -72.76 -25.46 61.19 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.487 1.117 . . . . 0.0 109.981 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 2.3 tp10 -84.38 -17.94 37.73 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.55 1.156 . . . . 0.0 110.321 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 1.083 HD11 ' CZ3' ' A' ' 32' ' ' TRP . 20.4 mt -55.3 -55.06 35.76 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.532 1.145 . . . . 0.0 109.311 -179.905 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -53.14 -52.56 39.37 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.464 1.103 . . . . 0.0 111.03 179.911 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 45' ' ' GLN . . . . . 0.563 ' HG2' ' CZ2' ' A' ' 49' ' ' TRP . 1.0 OUTLIER -61.74 -35.28 77.64 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.473 0.749 . . . . 0.0 110.232 179.999 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 91.0 m -70.73 -39.21 73.48 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.583 1.177 . . . . 0.0 110.336 -179.926 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 9.9 tt0 -58.64 -38.82 78.92 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.464 1.103 . . . . 0.0 110.287 -179.907 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 14.1 ttpt -78.48 -31.48 47.83 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.52 1.137 . . . . 0.0 109.324 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 49' ' ' TRP . . . . . 0.563 ' CZ2' ' HG2' ' A' ' 45' ' ' GLN . 40.7 m0 -63.17 -29.01 70.45 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.571 1.17 . . . . 0.0 108.042 179.943 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.493 ' HB2' HD22 ' A' ' 60' ' ' LEU . . . -75.23 -11.43 60.07 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.394 1.059 . . . . 0.0 109.278 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 1.8 mm-40 -95.42 -12.24 26.28 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.536 1.148 . . . . 0.0 110.243 -179.925 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 48.4 t0 -70.87 130.2 41.02 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.466 1.103 . . . . 0.0 109.285 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -60.27 -43.62 96.04 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.543 1.152 . . . . 0.0 109.31 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 54' ' ' LYS . . . . . 0.645 ' CD ' HD22 ' A' ' 134' ' ' LEU . 10.2 mttt -50.0 -38.55 37.87 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.539 1.149 . . . . 0.0 109.257 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 55' ' ' PHE . . . . . 0.48 ' CE2' ' HB3' ' A' ' 49' ' ' TRP . 0.2 OUTLIER -76.7 -27.89 55.67 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.567 1.167 . . . . 0.0 110.94 179.979 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 56' ' ' SER . . . . . 0.414 ' O ' ' C ' ' A' ' 57' ' ' SER . 13.6 p -47.39 -36.93 10.39 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.581 1.176 . . . . 0.0 109.923 -179.958 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 57' ' ' SER . . . . . 0.414 ' C ' ' O ' ' A' ' 56' ' ' SER . 0.5 OUTLIER -38.58 -57.1 1.21 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.503 1.127 . . . . 0.0 109.979 -179.971 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -110.11 165.94 11.35 Favored 'General case' 0 C--N 1.323 -0.554 0 O-C-N 124.604 1.19 . . . . 0.0 109.244 -179.945 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 59' ' ' ASN . . . . . 0.873 ' HB2' HG23 ' A' ' 27' ' ' THR . 2.3 m-20 -88.4 120.89 30.2 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.512 1.133 . . . . 0.0 109.33 179.926 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.94 HD12 ' HZ1' ' A' ' 30' ' ' LYS . 0.8 OUTLIER -104.25 127.22 51.85 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.49 1.119 . . . . 0.0 109.385 179.951 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.505 HD13 ' O ' ' A' ' 28' ' ' LEU . 0.2 OUTLIER -152.95 160.27 3.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.478 1.111 . . . . 0.0 109.248 -179.939 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 62' ' ' THR . . . . . 0.481 ' HB ' ' CD1' ' A' ' 32' ' ' TRP . 25.7 p -109.43 154.57 22.42 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.517 1.136 . . . . 0.0 110.288 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 2.6 t -126.52 139.06 52.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.548 1.155 . . . . 0.0 109.303 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -134.71 134.41 41.02 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.442 1.089 . . . . 0.0 109.389 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 65' ' ' SER . . . . . 0.442 ' CB ' ' HB3' ' A' ' 68' ' ' PHE . 5.8 m -108.06 107.46 60.26 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.493 1.121 . . . . 0.0 109.995 -179.874 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 66' ' ' PRO . . . . . 0.437 ' HA ' ' O ' ' A' ' 72' ' ' LYS . 18.3 Cg_endo -75.01 137.65 21.97 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.518 1.799 . . . . 0.0 110.958 -179.928 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 66.85 8.23 47.1 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.391 1.057 . . . . 0.0 110.996 179.945 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 68' ' ' PHE . . . . . 0.519 ' CE2' HD23 ' A' ' 69' ' ' LEU . 53.6 t80 -123.58 131.94 53.75 Favored 'General case' 0 C--N 1.327 -0.401 0 O-C-N 124.454 0.738 . . . . 0.0 110.965 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.519 HD23 ' CE2' ' A' ' 68' ' ' PHE . 0.3 OUTLIER 75.89 29.5 0.8 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.417 1.073 . . . . 0.0 109.255 179.923 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER 61.59 22.8 13.21 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.51 1.131 . . . . 0.0 109.62 -179.938 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 71' ' ' GLU . . . . . 0.454 ' HG2' ' CD1' ' A' ' 35' ' ' TRP . 0.0 OUTLIER -88.96 155.93 19.2 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.55 1.156 . . . . 0.0 110.309 179.95 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 72' ' ' LYS . . . . . 0.437 ' O ' ' HA ' ' A' ' 66' ' ' PRO . 48.9 mmtt -41.62 135.81 2.05 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.513 1.133 . . . . 0.0 109.314 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 1.4 tttt -75.54 164.57 26.21 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.481 1.113 . . . . 0.0 109.231 -179.929 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -51.49 146.2 7.68 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.549 1.156 . . . . 0.0 109.297 179.938 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 84.48 -44.91 3.41 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.543 1.152 . . . . 0.0 110.998 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -68.28 -55.7 11.22 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.469 0.746 . . . . 0.0 109.41 179.92 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 57.0 t80 -56.45 -26.98 55.48 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.509 1.131 . . . . 0.0 110.972 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 7.6 mt-30 -74.09 -29.73 62.0 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.529 1.143 . . . . 0.0 110.266 -179.942 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.97 -32.69 57.45 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.547 1.155 . . . . 0.0 109.363 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 80' ' ' TRP . . . . . . . . . . . . . 2.0 t90 . . . . . 0 C--N 1.325 -0.464 0 O-C-N 124.502 1.126 . . . . 0.0 108.025 179.958 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 48.2 mmtt . . . . . 0 N--CA 1.454 -0.247 0 N-CA-C 109.303 -0.629 . . . . 0.0 109.303 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 89' ' ' LEU . . . . . 0.737 HD12 ' HD2' ' A' ' 90' ' ' PRO . 8.8 tp -127.4 120.57 22.17 Favored Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.388 1.055 . . . . 0.0 109.276 179.935 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 90' ' ' PRO . . . . . 0.737 ' HD2' HD12 ' A' ' 89' ' ' LEU . 18.2 Cg_endo -75.09 127.43 10.61 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.543 1.812 . . . . 0.0 111.035 179.918 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 91' ' ' VAL . . . . . 0.425 ' O ' ' HB ' ' A' ' 11' ' ' THR . 73.1 t -135.84 124.66 38.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.485 1.116 . . . . 0.0 109.296 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 92' ' ' VAL . . . . . 0.621 HG21 ' OH ' ' A' ' 20' ' ' TYR . 45.6 t -121.85 131.76 72.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.492 1.12 . . . . 0.0 109.248 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 2.9 p -117.17 117.88 30.8 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.531 1.145 . . . . 0.0 110.434 179.941 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 94' ' ' ASP . . . . . 0.698 ' CB ' HD11 ' A' ' 9' ' ' LEU . 60.0 t0 -114.86 111.23 20.89 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.56 1.162 . . . . 0.0 109.329 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 32.5 t-20 -60.68 120.89 10.93 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.586 1.178 . . . . 0.0 109.266 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 86.68 -16.65 44.69 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.536 1.147 . . . . 0.0 110.981 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 63.82 60.6 7.1 Favored Glycine 0 CA--C 1.53 1.002 0 N-CA-C 111.001 -0.84 . . . . 0.0 111.001 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 1.9 m -56.74 -42.42 79.24 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.512 0.772 . . . . 0.0 110.414 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 99' ' ' ILE . . . . . 0.543 HD12 ' OD2' ' A' ' 94' ' ' ASP . 3.1 mt -69.43 -37.07 74.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.46 1.1 . . . . 0.0 109.317 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -68.09 -38.29 82.18 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.525 1.141 . . . . 0.0 109.288 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 6.1 mt-30 -80.58 -36.44 32.89 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.514 1.134 . . . . 0.0 110.319 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -60.53 -41.53 94.61 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.538 1.149 . . . . 0.0 109.949 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 18.5 mt -85.11 -20.07 30.9 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.555 1.159 . . . . 0.0 109.281 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 104' ' ' ASN . . . . . 0.438 ' ND2' ' O ' ' A' ' 104' ' ' ASN . 8.2 t30 67.37 53.24 0.76 Allowed 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.562 1.164 . . . . 0.0 109.305 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 105' ' ' ILE . . . . . 0.556 ' CD1' ' CE1' ' A' ' 31' ' ' PHE . 3.7 mt -87.24 -75.91 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.462 1.101 . . . . 0.0 109.258 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 1.2 m 58.98 26.63 15.28 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.547 1.155 . . . . 0.0 110.029 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 107' ' ' VAL . . . . . 0.522 HG12 ' O ' ' A' ' 105' ' ' ILE . 2.4 p -147.65 131.74 9.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.507 1.129 . . . . 0.0 109.292 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 108' ' ' TYR . . . . . 0.58 ' CE1' ' HB3' ' A' ' 31' ' ' PHE . 14.6 m-85 -131.55 151.87 79.44 Favored Pre-proline 0 C--N 1.324 -0.528 0 O-C-N 124.521 1.138 . . . . 0.0 110.98 -179.923 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 109' ' ' PRO . . . . . 0.525 ' C ' ' HA ' ' A' ' 108' ' ' TYR . 18.2 Cg_endo -75.05 171.33 68.68 Favored 'Cis proline' 0 C--N 1.362 1.24 0 C-N-CA 120.954 -2.519 . . . . 0.0 111.013 0.077 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -153.18 160.34 42.82 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.49 1.119 . . . . 0.0 109.96 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 111' ' ' TRP . . . . . 0.824 ' CE3' HD11 ' A' ' 128' ' ' ILE . 17.8 m95 -131.35 139.42 49.51 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 108.018 -1.104 . . . . 0.0 108.018 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 112' ' ' ALA . . . . . 0.429 ' O ' HD12 ' A' ' 29' ' ' ILE . . . -136.26 129.65 31.84 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.441 1.088 . . . . 0.0 109.286 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 113' ' ' LEU . . . . . 0.505 HD23 ' HB3' ' A' ' 121' ' ' GLN . 12.0 tp -110.24 134.06 52.61 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.504 1.128 . . . . 0.0 109.334 179.942 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 114' ' ' ILE . . . . . 0.527 HG13 HD11 ' A' ' 29' ' ' ILE . 4.9 mm -118.29 121.81 68.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.552 1.157 . . . . 0.0 109.305 -179.939 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -47.51 167.77 0.1 OUTLIER Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.478 1.111 . . . . 0.0 110.961 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.17 -5.41 39.06 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.432 0.725 . . . . 0.0 109.324 179.953 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -93.98 -19.82 20.55 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.423 1.077 . . . . 0.0 109.254 -179.937 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . 99.27 27.68 8.04 Favored Glycine 0 CA--C 1.532 1.11 0 O-C-N 124.486 1.117 . . . . 0.0 110.995 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 3.8 p-10 -119.6 151.47 38.61 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.585 0.814 . . . . 0.0 109.301 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 42.6 t -52.79 116.4 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.535 1.147 . . . . 0.0 109.255 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 121' ' ' GLN . . . . . 0.505 ' HB3' HD23 ' A' ' 113' ' ' LEU . 3.1 mm-40 -89.83 -61.43 1.69 Allowed 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.496 1.122 . . . . 0.0 110.353 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -158.34 140.02 13.69 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.444 1.09 . . . . 0.0 110.372 179.906 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 123' ' ' ILE . . . . . . . . . . . . . 15.0 tt -106.55 140.65 23.97 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.471 1.107 . . . . 0.0 109.303 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 3.8 t -129.52 133.11 65.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.505 1.128 . . . . 0.0 109.255 -179.933 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -109.26 116.58 32.16 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.488 1.118 . . . . 0.0 109.255 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . 119.27 164.62 12.8 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.555 1.159 . . . . 0.0 111.005 179.938 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -82.11 162.54 22.47 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.56 0.8 . . . . 0.0 109.912 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 128' ' ' ILE . . . . . 0.824 HD11 ' CE3' ' A' ' 111' ' ' TRP . 28.7 pt -139.37 168.25 18.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.469 1.106 . . . . 0.0 109.266 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 129' ' ' ASN . . . . . . . . . . . . . 3.8 p30 -106.19 169.22 8.63 Favored 'General case' 0 C--N 1.327 -0.406 0 O-C-N 124.53 1.144 . . . . 0.0 109.293 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 32.0 tt0 -50.4 -40.72 50.74 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.494 1.121 . . . . 0.0 110.219 -179.919 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -57.13 -51.72 68.16 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.52 1.137 . . . . 0.0 109.244 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 132' ' ' GLN . . . . . 0.463 ' CB ' ' HB ' ' A' ' 128' ' ' ILE . 0.0 OUTLIER -50.93 -45.87 60.68 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.489 1.118 . . . . 0.0 110.314 179.958 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 133' ' ' ALA . . . . . 0.419 ' HB1' ' CZ ' ' A' ' 55' ' ' PHE . . . -55.37 -48.1 74.79 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.503 1.127 . . . . 0.0 109.231 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 134' ' ' LEU . . . . . 0.645 HD22 ' CD ' ' A' ' 54' ' ' LYS . 16.1 mt . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.549 1.156 . . . . 0.0 109.267 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 3.9 mm? . . . . . 0 N--CA 1.451 -0.4 0 N-CA-C 109.342 -0.614 . . . . 0.0 109.342 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 24.1 mttt -110.93 156.83 20.63 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.471 1.107 . . . . 0.0 109.253 -179.917 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 11' ' ' THR . . . . . 0.411 ' HA ' ' O ' ' A' ' 91' ' ' VAL . 7.1 p -86.98 170.77 11.29 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.422 1.076 . . . . 0.0 110.41 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -60.04 -16.33 30.32 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.451 1.094 . . . . 0.0 109.257 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -93.22 21.03 6.31 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.499 1.124 . . . . 0.0 109.245 -179.932 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 51.71 31.71 8.38 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.529 1.143 . . . . 0.0 109.189 179.936 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -103.93 148.51 35.98 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.456 1.098 . . . . 0.0 110.236 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 16' ' ' PRO . . . . . 0.499 ' HG2' HG23 ' A' ' 19' ' ' VAL . 18.4 Cg_endo -75.02 133.7 16.88 Favored 'Trans proline' 0 C--N 1.361 1.205 0 O-C-N 124.39 1.732 . . . . 0.0 111.009 179.931 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -66.29 -13.81 61.04 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.477 1.111 . . . . 0.0 109.308 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 18' ' ' SER . . . . . 0.76 ' HA ' HD23 ' A' ' 21' ' ' LEU . 7.3 t -70.95 -18.72 62.62 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.507 1.129 . . . . 0.0 109.952 -179.904 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.499 HG23 ' HG2' ' A' ' 16' ' ' PRO . 42.7 t -56.5 -32.85 37.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.522 1.139 . . . . 0.0 109.274 179.922 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 20' ' ' TYR . . . . . 0.48 ' CD1' HG12 ' A' ' 19' ' ' VAL . 42.7 m-85 -120.85 25.78 9.48 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.429 1.08 . . . . 0.0 111.007 -179.953 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.76 HD23 ' HA ' ' A' ' 18' ' ' SER . 0.2 OUTLIER -58.6 109.67 0.84 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.415 1.072 . . . . 0.0 109.215 -179.9 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 22' ' ' LYS . . . . . 0.54 ' CG ' ' O ' ' A' ' 25' ' ' LYS . 0.0 OUTLIER -51.48 92.8 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.456 1.098 . . . . 0.0 109.355 179.951 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.504 ' O ' ' CB ' ' A' ' 24' ' ' ASP . 1.6 mttt -66.57 70.15 0.07 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.496 1.123 . . . . 0.0 109.289 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 24' ' ' ASP . . . . . 0.504 ' CB ' ' O ' ' A' ' 23' ' ' LYS . 1.5 t70 82.51 38.69 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.441 1.088 . . . . 0.0 109.197 179.894 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.54 ' O ' ' CG ' ' A' ' 22' ' ' LYS . 4.1 mtpt -131.55 162.47 55.96 Favored Pre-proline 0 C--N 1.324 -0.532 0 O-C-N 124.581 1.176 . . . . 0.0 109.269 179.954 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 129.7 12.57 Favored 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.462 1.77 . . . . 0.0 111.023 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 24.0 m -112.32 141.41 46.07 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.478 1.111 . . . . 0.0 110.405 -179.934 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.784 HD12 ' O ' ' A' ' 112' ' ' ALA . 33.1 tp -125.92 126.23 44.05 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.44 1.088 . . . . 0.0 109.326 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.731 ' HB ' ' HB3' ' A' ' 112' ' ' ALA . 9.2 mm -107.9 149.38 11.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.513 1.133 . . . . 0.0 109.34 179.943 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.565 ' HB2' ' CE3' ' A' ' 111' ' ' TRP . 0.4 OUTLIER -139.05 118.93 13.24 Favored 'General case' 0 C--N 1.326 -0.414 0 O-C-N 124.478 1.111 . . . . 0.0 109.274 -179.947 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 31' ' ' PHE . . . . . 0.561 ' HB3' ' CE1' ' A' ' 108' ' ' TYR . 45.4 m-85 -92.42 134.23 35.14 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.513 1.133 . . . . 0.0 111.102 179.885 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 32' ' ' TRP . . . . . 0.958 ' CH2' HD11 ' A' ' 43' ' ' LEU . 9.0 p-90 -143.49 166.62 24.28 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.529 1.143 . . . . 0.0 108.031 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -130.13 153.86 48.08 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.537 1.148 . . . . 0.0 109.26 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 34' ' ' SER . . . . . 0.689 ' O ' HD11 ' A' ' 40' ' ' LEU . 5.7 m -71.52 -33.4 69.15 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.423 1.077 . . . . 0.0 110.023 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 25.1 p-90 -71.87 -12.2 61.16 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 107.957 -1.127 . . . . 0.0 107.957 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 46.6 t -88.46 113.83 57.06 Favored Pre-proline 0 C--N 1.324 -0.514 0 O-C-N 124.511 1.132 . . . . 0.0 108.33 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.08 -51.76 0.11 Allowed 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.503 1.791 . . . . 0.0 111.028 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -49.68 -32.66 13.77 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.575 1.172 . . . . 0.0 109.305 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 1.8 m -74.97 -49.02 21.41 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.559 1.162 . . . . 0.0 108.343 179.946 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.689 HD11 ' O ' ' A' ' 34' ' ' SER . 6.1 mt -51.46 -42.89 61.92 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.634 1.209 . . . . 0.0 109.339 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.1 p -76.16 -25.46 55.28 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.538 1.149 . . . . 0.0 110.087 179.914 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 16.1 tt0 -81.27 -11.38 59.38 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.514 1.134 . . . . 0.0 110.316 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.958 HD11 ' CH2' ' A' ' 32' ' ' TRP . 15.6 mt -55.92 -53.35 57.84 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.514 1.134 . . . . 0.0 109.282 -179.924 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -55.07 -45.99 79.73 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.484 1.115 . . . . 0.0 110.983 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -61.64 -33.51 74.07 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.519 0.776 . . . . 0.0 110.367 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 50.2 m -69.1 -36.75 77.89 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.469 1.106 . . . . 0.0 110.407 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 21.4 tt0 -68.45 -42.3 79.01 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.503 1.127 . . . . 0.0 110.228 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 7.8 tttp -64.57 -33.37 75.77 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.461 1.101 . . . . 0.0 109.322 -179.915 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 49' ' ' TRP . . . . . 0.503 ' CE3' ' CZ ' ' A' ' 55' ' ' PHE . 28.3 m0 -70.86 -34.3 71.5 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 107.976 -1.12 . . . . 0.0 107.976 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -77.45 -11.74 59.88 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.539 1.149 . . . . 0.0 109.337 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 1.6 mt-30 -101.72 -12.54 18.29 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.574 1.171 . . . . 0.0 110.365 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 53.3 t0 -73.1 130.11 39.57 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.561 1.163 . . . . 0.0 109.308 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -62.1 -34.64 76.71 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.572 1.17 . . . . 0.0 109.272 -179.944 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 54' ' ' LYS . . . . . 0.426 ' HD2' HD13 ' A' ' 134' ' ' LEU . 0.0 OUTLIER -58.09 -39.91 79.77 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.458 1.099 . . . . 0.0 109.317 179.987 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 55' ' ' PHE . . . . . 0.508 ' CE1' HD12 ' A' ' 60' ' ' LEU . 1.6 m-85 -75.81 -27.37 57.91 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.535 1.147 . . . . 0.0 111.045 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 56' ' ' SER . . . . . 0.402 ' O ' ' C ' ' A' ' 57' ' ' SER . 0.2 OUTLIER -45.78 -43.03 12.78 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.541 1.151 . . . . 0.0 110.1 179.931 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 57' ' ' SER . . . . . 0.402 ' C ' ' O ' ' A' ' 56' ' ' SER . 2.7 m -38.9 -32.85 0.09 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.487 1.117 . . . . 0.0 109.92 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 58' ' ' ALA . . . . . 0.402 ' O ' ' O ' ' A' ' 55' ' ' PHE . . . -130.71 165.71 22.31 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.496 1.122 . . . . 0.0 109.347 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 59' ' ' ASN . . . . . 0.452 ' ND2' ' O ' ' A' ' 20' ' ' TYR . 3.1 m-20 -89.11 133.75 34.26 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.441 1.088 . . . . 0.0 109.33 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.772 HD23 ' N ' ' A' ' 61' ' ' ILE . 3.3 tt -124.87 125.76 44.47 Favored 'General case' 0 C--N 1.323 -0.568 0 O-C-N 124.584 1.178 . . . . 0.0 109.298 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.772 ' N ' HD23 ' A' ' 60' ' ' LEU . 26.2 pt -153.75 160.35 2.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.462 1.101 . . . . 0.0 109.318 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 17.8 p -109.93 157.15 19.55 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.519 1.137 . . . . 0.0 110.455 179.935 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 2.8 t -128.37 144.24 38.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.522 1.139 . . . . 0.0 109.338 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 64' ' ' ALA . . . . . 0.653 ' CB ' ' CZ ' ' A' ' 77' ' ' PHE . . . -134.07 141.45 47.18 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.526 1.141 . . . . 0.0 109.276 179.924 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 65' ' ' SER . . . . . 0.409 ' CB ' ' HB3' ' A' ' 68' ' ' PHE . 77.6 p -117.95 108.74 42.06 Favored Pre-proline 0 C--N 1.326 -0.443 0 O-C-N 124.534 1.146 . . . . 0.0 109.923 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 66' ' ' PRO . . . . . 0.467 ' HA ' ' O ' ' A' ' 72' ' ' LYS . 18.0 Cg_endo -75.0 137.84 22.25 Favored 'Trans proline' 0 C--N 1.361 1.209 0 O-C-N 124.448 1.762 . . . . 0.0 111.012 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 68.16 10.87 60.33 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.478 1.111 . . . . 0.0 111.077 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 68' ' ' PHE . . . . . 0.681 ' CE1' HD23 ' A' ' 69' ' ' LEU . 47.9 t80 -122.39 124.94 44.82 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.608 0.828 . . . . 0.0 111.052 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.681 HD23 ' CE1' ' A' ' 68' ' ' PHE . 0.4 OUTLIER 76.23 33.71 0.54 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.43 1.081 . . . . 0.0 109.292 -179.979 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 28.0 m170 65.73 12.75 8.52 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.418 1.074 . . . . 0.0 109.598 179.908 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 71' ' ' GLU . . . . . 0.411 ' HA ' ' OE1' ' A' ' 71' ' ' GLU . 14.9 tp10 -75.96 151.22 37.31 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.493 1.12 . . . . 0.0 110.29 -179.938 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 72' ' ' LYS . . . . . 0.467 ' O ' ' HA ' ' A' ' 66' ' ' PRO . 9.1 mmtm -43.52 165.25 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.493 1.12 . . . . 0.0 109.313 179.922 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -96.53 155.44 16.77 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.5 1.125 . . . . 0.0 109.275 179.941 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -46.9 144.73 2.31 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.468 1.105 . . . . 0.0 109.32 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 87.54 -50.11 3.98 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.456 1.097 . . . . 0.0 111.051 -179.942 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -72.27 -32.0 66.26 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.552 0.795 . . . . 0.0 109.324 179.946 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 77' ' ' PHE . . . . . 0.653 ' CZ ' ' CB ' ' A' ' 64' ' ' ALA . 42.3 t80 -76.26 -57.25 3.98 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.486 1.116 . . . . 0.0 110.975 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 17.8 pt20 -50.97 -28.8 10.65 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.528 1.142 . . . . 0.0 110.282 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 2.2 mttt -74.45 -39.7 62.38 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.51 1.131 . . . . 0.0 109.295 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 80' ' ' TRP . . . . . . . . . . . . . 2.4 t90 . . . . . 0 C--N 1.324 -0.502 0 O-C-N 124.499 1.124 . . . . 0.0 107.97 179.999 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.355 0 N-CA-C 109.334 -0.617 . . . . 0.0 109.334 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 89' ' ' LEU . . . . . 0.937 HD12 ' HD2' ' A' ' 90' ' ' PRO . 0.1 OUTLIER -99.1 135.73 20.73 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.535 1.147 . . . . 0.0 109.288 -179.939 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 90' ' ' PRO . . . . . 0.937 ' HD2' HD12 ' A' ' 89' ' ' LEU . 18.1 Cg_endo -75.1 126.86 10.18 Favored 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.41 1.742 . . . . 0.0 110.929 -179.94 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 91' ' ' VAL . . . . . 0.411 ' O ' ' HA ' ' A' ' 11' ' ' THR . 13.9 t -141.69 118.39 7.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.52 1.138 . . . . 0.0 109.302 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 92' ' ' VAL . . . . . 0.494 HG21 HD12 ' A' ' 61' ' ' ILE . 44.8 t -111.58 137.82 42.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.557 1.16 . . . . 0.0 109.317 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 93' ' ' THR . . . . . 0.527 HG22 ' CE1' ' A' ' 77' ' ' PHE . 5.7 p -117.53 119.17 34.21 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.5 1.125 . . . . 0.0 110.406 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 94' ' ' ASP . . . . . 0.4 ' OD2' HD12 ' A' ' 99' ' ' ILE . 62.7 t0 -114.77 111.02 20.6 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.481 1.113 . . . . 0.0 109.286 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 5.6 m120 -60.94 115.94 4.09 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.602 1.189 . . . . 0.0 109.237 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 87.0 -18.44 35.78 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.423 1.077 . . . . 0.0 110.954 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 97' ' ' GLY . . . . . 0.415 ' O ' ' N ' ' A' ' 101' ' ' GLN . . . 64.44 71.61 0.83 Allowed Glycine 0 CA--C 1.53 1.004 0 N-CA-C 110.955 -0.858 . . . . 0.0 110.955 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 1.4 m -62.04 -51.87 66.26 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.49 0.759 . . . . 0.0 110.353 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 99' ' ' ILE . . . . . 0.4 HD12 ' OD2' ' A' ' 94' ' ' ASP . 2.7 mp -64.43 -33.39 62.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.463 1.102 . . . . 0.0 109.316 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -74.29 -34.11 63.43 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.424 1.077 . . . . 0.0 109.32 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 101' ' ' GLN . . . . . 0.415 ' N ' ' O ' ' A' ' 97' ' ' GLY . 0.0 OUTLIER -80.1 -40.19 28.03 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.5 1.125 . . . . 0.0 110.345 179.947 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -60.59 -31.3 70.46 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.511 1.132 . . . . 0.0 110.008 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 103' ' ' LEU . . . . . 0.618 HD13 HD12 ' A' ' 123' ' ' ILE . 20.3 mt -98.66 -11.42 22.05 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.552 1.158 . . . . 0.0 109.309 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 51.1 t30 62.93 58.02 1.57 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.51 1.131 . . . . 0.0 109.297 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 105' ' ' ILE . . . . . 0.552 HG12 HD11 ' A' ' 123' ' ' ILE . 4.5 mt -100.04 104.9 16.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.482 1.114 . . . . 0.0 109.37 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -121.6 24.2 9.91 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.483 1.115 . . . . 0.0 109.966 -179.881 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 2.0 p -135.4 132.61 52.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.422 1.076 . . . . 0.0 109.273 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 108' ' ' TYR . . . . . 0.561 ' CE1' ' HB3' ' A' ' 31' ' ' PHE . 20.7 m-85 -130.61 152.31 80.2 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.505 1.128 . . . . 0.0 111.052 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 109' ' ' PRO . . . . . 0.53 ' C ' ' HA ' ' A' ' 108' ' ' TYR . 18.4 Cg_endo -74.98 161.25 95.23 Favored 'Cis proline' 0 C--N 1.359 1.112 0 C-N-CA 120.978 -2.509 . . . . 0.0 110.957 0.002 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 110' ' ' SER . . . . . 0.402 ' O ' ' HA ' ' A' ' 30' ' ' LYS . 1.0 OUTLIER -133.88 158.05 44.4 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.459 1.099 . . . . 0.0 110.037 180.0 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 111' ' ' TRP . . . . . 0.565 ' CE3' ' HB2' ' A' ' 30' ' ' LYS . 94.5 m95 -132.43 140.6 48.5 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.572 1.17 . . . . 0.0 108.055 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 112' ' ' ALA . . . . . 0.784 ' O ' HD12 ' A' ' 28' ' ' LEU . . . -126.21 135.46 51.64 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.531 1.145 . . . . 0.0 109.251 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 113' ' ' LEU . . . . . 0.736 HD23 ' HG2' ' A' ' 121' ' ' GLN . 20.0 tp -109.18 130.45 55.49 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.545 1.153 . . . . 0.0 109.324 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 114' ' ' ILE . . . . . 0.66 HD13 ' HA ' ' A' ' 120' ' ' VAL . 7.4 mm -122.63 113.97 40.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.453 1.096 . . . . 0.0 109.309 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 115' ' ' GLY . . . . . 0.432 ' N ' ' O ' ' A' ' 119' ' ' ASP . . . -41.82 164.35 0.02 OUTLIER Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.518 1.136 . . . . 0.0 111.02 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -67.5 -26.59 66.42 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.526 0.78 . . . . 0.0 109.34 179.949 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -71.68 -9.63 58.56 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.467 1.104 . . . . 0.0 109.254 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . 86.52 35.83 10.14 Favored Glycine 0 CA--C 1.529 0.945 0 O-C-N 124.539 1.149 . . . . 0.0 110.994 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 119' ' ' ASP . . . . . 0.432 ' O ' ' N ' ' A' ' 115' ' ' GLY . 1.9 p30 -127.65 148.26 50.38 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.547 0.792 . . . . 0.0 109.385 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 120' ' ' VAL . . . . . 0.66 ' HA ' HD13 ' A' ' 114' ' ' ILE . 92.7 t -50.08 118.98 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 O-C-N 124.444 1.09 . . . . 0.0 109.239 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 121' ' ' GLN . . . . . 0.736 ' HG2' HD23 ' A' ' 113' ' ' LEU . 0.7 OUTLIER -93.14 -62.26 1.41 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.567 1.167 . . . . 0.0 110.372 179.866 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -158.33 158.27 34.02 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.457 1.098 . . . . 0.0 110.323 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 123' ' ' ILE . . . . . 0.618 HD12 HD13 ' A' ' 103' ' ' LEU . 5.3 tt -110.65 134.37 53.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.507 1.129 . . . . 0.0 109.262 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 79.6 t -123.91 115.93 46.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.484 1.115 . . . . 0.0 109.259 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 21.8 mtmt -107.05 114.73 28.98 Favored 'General case' 0 C--N 1.327 -0.412 0 O-C-N 124.541 1.151 . . . . 0.0 109.318 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . 141.56 -154.07 24.48 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.539 1.149 . . . . 0.0 110.939 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -123.39 144.36 49.53 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.527 0.78 . . . . 0.0 109.987 -179.945 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 128' ' ' ILE . . . . . . . . . . . . . 12.7 pt -129.18 162.2 37.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.463 1.102 . . . . 0.0 109.278 -179.933 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 129' ' ' ASN . . . . . 0.448 ' OD1' ' HB3' ' A' ' 131' ' ' ALA . 2.2 p30 -110.29 168.42 9.46 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.484 1.115 . . . . 0.0 109.358 179.887 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 130' ' ' GLU . . . . . 0.502 ' N ' ' CZ2' ' A' ' 49' ' ' TRP . 20.1 tt0 -57.59 -22.93 48.03 Favored 'General case' 0 C--N 1.327 -0.406 0 O-C-N 124.473 1.108 . . . . 0.0 110.353 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 131' ' ' ALA . . . . . 0.448 ' HB3' ' OD1' ' A' ' 129' ' ' ASN . . . -68.87 -54.16 17.22 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.545 1.153 . . . . 0.0 109.284 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 4.6 mt-30 -50.67 -48.62 58.36 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.485 1.115 . . . . 0.0 110.288 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -50.2 -52.66 33.87 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.476 1.11 . . . . 0.0 109.324 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 134' ' ' LEU . . . . . 0.426 HD13 ' HD2' ' A' ' 54' ' ' LYS . 3.6 mt . . . . . 0 C--N 1.326 -0.425 0 O-C-N 124.471 1.107 . . . . 0.0 109.364 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.69 HD11 ' CB ' ' A' ' 94' ' ' ASP . 3.9 mm? . . . . . 0 N--CA 1.453 -0.311 0 N-CA-C 109.22 -0.659 . . . . 0.0 109.22 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 10' ' ' LYS . . . . . 0.418 ' HA ' ' O ' ' A' ' 15' ' ' ARG . 0.1 OUTLIER -122.54 142.55 50.49 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.48 1.113 . . . . 0.0 109.249 179.975 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 11' ' ' THR . . . . . 0.779 HG22 HG22 ' A' ' 92' ' ' VAL . 76.6 p -84.57 168.26 15.54 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.406 1.066 . . . . 0.0 110.465 179.939 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -56.49 -18.76 12.53 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.521 1.138 . . . . 0.0 109.276 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -91.92 13.35 18.8 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.399 1.062 . . . . 0.0 109.314 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 58.83 27.87 16.68 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.533 1.146 . . . . 0.0 109.234 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 15' ' ' ARG . . . . . 0.418 ' O ' ' HA ' ' A' ' 10' ' ' LYS . 0.3 OUTLIER -98.25 155.85 36.47 Favored Pre-proline 0 C--N 1.326 -0.444 0 O-C-N 124.543 1.152 . . . . 0.0 110.304 179.92 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 16' ' ' PRO . . . . . 0.899 ' O ' HG22 ' A' ' 19' ' ' VAL . 18.1 Cg_endo -75.09 127.22 10.45 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.554 1.818 . . . . 0.0 111.005 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -47.55 -28.01 2.07 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 0.0 109.262 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -55.75 -18.95 9.47 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.554 1.159 . . . . 0.0 110.004 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.899 HG22 ' O ' ' A' ' 16' ' ' PRO . 3.6 m -48.33 -45.24 13.54 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.396 1.06 . . . . 0.0 109.269 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 11.8 m-85 -112.53 24.32 12.62 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.577 1.173 . . . . 0.0 110.958 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.521 ' HG ' HG21 ' A' ' 27' ' ' THR . 0.2 OUTLIER -134.64 102.66 5.36 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.434 1.084 . . . . 0.0 109.318 179.996 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 22' ' ' LYS . . . . . 0.511 ' CB ' ' O ' ' A' ' 21' ' ' LEU . 0.1 OUTLIER 163.39 -171.64 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.512 1.133 . . . . 0.0 109.309 179.946 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 66.88 25.73 9.44 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.437 1.086 . . . . 0.0 109.353 -179.936 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 43.16 36.54 1.01 Allowed 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.466 1.104 . . . . 0.0 109.302 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 1.9 mttt -105.96 162.19 20.47 Favored Pre-proline 0 C--N 1.324 -0.519 0 O-C-N 124.471 1.107 . . . . 0.0 109.244 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 145.49 31.43 Favored 'Trans proline' 0 C--N 1.361 1.205 0 O-C-N 124.378 1.725 . . . . 0.0 110.979 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 27' ' ' THR . . . . . 0.521 HG21 ' HG ' ' A' ' 21' ' ' LEU . 20.3 m -117.18 142.47 46.99 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.456 1.098 . . . . 0.0 110.364 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.497 HD12 ' HA ' ' A' ' 113' ' ' LEU . 10.9 tp -124.34 127.69 47.98 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.506 1.128 . . . . 0.0 109.366 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.622 HD12 HD13 ' A' ' 114' ' ' ILE . 2.0 mt -108.94 149.83 11.97 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.543 1.152 . . . . 0.0 109.304 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.448 ' HG3' ' CZ2' ' A' ' 111' ' ' TRP . 2.6 tmtt? -138.77 110.73 7.24 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.456 1.097 . . . . 0.0 109.265 -179.955 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 31' ' ' PHE . . . . . 0.572 ' HB3' ' CE1' ' A' ' 108' ' ' TYR . 55.3 m-85 -82.49 126.01 31.75 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.465 1.103 . . . . 0.0 110.982 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 32' ' ' TRP . . . . . 0.53 ' CE3' HD21 ' A' ' 43' ' ' LEU . 5.1 p-90 -130.21 167.48 18.35 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.564 1.165 . . . . 0.0 107.917 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 33' ' ' ALA . . . . . 0.634 ' HB1' ' NE1' ' A' ' 35' ' ' TRP . . . -136.49 126.77 26.47 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.467 1.104 . . . . 0.0 109.254 179.945 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -54.46 -27.39 37.14 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.464 1.102 . . . . 0.0 110.061 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 35' ' ' TRP . . . . . 0.634 ' NE1' ' HB1' ' A' ' 33' ' ' ALA . 21.9 p-90 -77.37 -23.8 50.73 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 107.979 -1.119 . . . . 0.0 107.979 179.943 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 36' ' ' CYS . . . . . 0.415 ' N ' ' O ' ' A' ' 33' ' ' ALA . 42.8 t -75.5 115.03 41.82 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.483 1.115 . . . . 0.0 108.336 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -33.62 4.45 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.519 1.799 . . . . 0.0 111.01 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -65.49 -35.08 79.84 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.511 1.132 . . . . 0.0 109.269 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 39' ' ' CYS . . . . . 0.444 ' O ' ' N ' ' A' ' 43' ' ' LEU . 47.2 m -69.11 -48.31 62.87 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.59 1.181 . . . . 0.0 108.269 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 73.8 mt -51.46 -47.88 62.98 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.533 1.146 . . . . 0.0 109.385 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.1 p -68.52 -25.23 64.84 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.536 1.148 . . . . 0.0 110.013 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -82.56 -26.5 32.35 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.493 1.121 . . . . 0.0 110.238 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.641 ' O ' HD11 ' A' ' 89' ' ' LEU . 48.9 mt -44.08 -52.89 6.83 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.454 1.096 . . . . 0.0 109.364 179.899 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -57.87 -48.63 80.97 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.425 1.078 . . . . 0.0 110.967 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 45' ' ' GLN . . . . . 0.424 ' CD ' ' CZ2' ' A' ' 49' ' ' TRP . 36.4 tt0 -61.75 -31.22 71.39 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.454 0.738 . . . . 0.0 110.28 -179.944 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 28.0 m -69.43 -34.6 74.68 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.469 1.106 . . . . 0.0 110.384 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -68.25 -41.84 80.56 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.122 . . . . 0.0 110.279 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 7.1 tttm -68.9 -35.37 76.77 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.464 1.103 . . . . 0.0 109.391 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 49' ' ' TRP . . . . . 0.424 ' CZ2' ' CD ' ' A' ' 45' ' ' GLN . 44.2 m0 -72.19 -31.98 66.39 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.464 1.102 . . . . 0.0 108.086 179.849 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -76.75 -9.4 58.65 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.485 1.115 . . . . 0.0 109.29 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 2.1 mm-40 -104.91 -14.59 15.42 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.48 1.112 . . . . 0.0 110.211 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 52' ' ' ASP . . . . . 0.426 ' OD1' ' N ' ' A' ' 54' ' ' LYS . 24.1 t0 -65.18 128.59 36.43 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.482 1.114 . . . . 0.0 109.383 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -54.4 -47.87 72.23 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.458 1.099 . . . . 0.0 109.346 -179.918 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 54' ' ' LYS . . . . . 0.426 ' N ' ' OD1' ' A' ' 52' ' ' ASP . 3.3 mmmt -48.94 -38.42 22.84 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.467 1.105 . . . . 0.0 109.341 179.947 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 55' ' ' PHE . . . . . 0.996 ' CE1' HD12 ' A' ' 60' ' ' LEU . 1.1 m-85 -76.53 -30.41 57.12 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.484 1.115 . . . . 0.0 111.061 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 1.4 t -46.53 -40.0 11.87 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.455 1.097 . . . . 0.0 109.983 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 70.0 m -39.43 -60.23 0.97 Allowed 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.427 1.079 . . . . 0.0 109.97 -179.95 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -102.87 165.6 10.95 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.535 1.147 . . . . 0.0 109.364 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 67.8 m-20 -89.13 130.85 35.5 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.452 1.095 . . . . 0.0 109.281 179.936 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.996 HD12 ' CE1' ' A' ' 55' ' ' PHE . 3.5 tt -119.69 126.04 50.14 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.461 1.101 . . . . 0.0 109.333 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.74 ' N ' HD23 ' A' ' 60' ' ' LEU . 9.4 pt -152.77 160.25 3.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.528 1.142 . . . . 0.0 109.404 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 62' ' ' THR . . . . . 0.507 ' HB ' ' CD1' ' A' ' 32' ' ' TRP . 30.4 p -109.61 153.55 24.03 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.493 1.121 . . . . 0.0 110.376 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 63' ' ' VAL . . . . . 0.45 ' HB ' ' CG2' ' A' ' 29' ' ' ILE . 1.2 t -125.13 144.73 34.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.554 1.159 . . . . 0.0 109.294 -179.953 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 64' ' ' ALA . . . . . 0.591 ' CB ' ' CZ ' ' A' ' 77' ' ' PHE . . . -134.53 138.22 44.48 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.562 1.164 . . . . 0.0 109.317 -179.933 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 65' ' ' SER . . . . . 0.405 ' CB ' ' HB3' ' A' ' 68' ' ' PHE . 1.8 m -110.89 107.83 57.8 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.478 1.111 . . . . 0.0 109.976 -179.909 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 66' ' ' PRO . . . . . 0.457 ' HA ' ' O ' ' A' ' 72' ' ' LYS . 18.1 Cg_endo -74.95 134.03 17.39 Favored 'Trans proline' 0 C--N 1.358 1.074 0 O-C-N 124.529 1.805 . . . . 0.0 111.014 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 69.31 5.84 50.99 Favored Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.509 1.131 . . . . 0.0 110.941 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 68' ' ' PHE . . . . . 0.711 ' CE2' HD23 ' A' ' 69' ' ' LEU . 73.1 t80 -127.94 135.01 49.36 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.55 0.794 . . . . 0.0 110.975 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.711 HD23 ' CE2' ' A' ' 68' ' ' PHE . 0.2 OUTLIER 74.79 25.76 1.44 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.374 1.046 . . . . 0.0 109.288 179.995 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 28.5 m170 63.26 22.41 13.32 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.438 1.086 . . . . 0.0 109.547 179.908 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 71' ' ' GLU . . . . . 0.411 ' OE2' ' CD1' ' A' ' 35' ' ' TRP . 0.2 OUTLIER -86.83 149.6 24.72 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.461 1.101 . . . . 0.0 110.303 -179.99 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 72' ' ' LYS . . . . . 0.457 ' O ' ' HA ' ' A' ' 66' ' ' PRO . 3.2 mmpt? -39.78 153.97 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.482 1.114 . . . . 0.0 109.314 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 5.1 tttt -83.04 152.79 25.23 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.46 1.1 . . . . 0.0 109.304 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -48.54 152.32 0.96 Allowed 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.531 1.145 . . . . 0.0 109.35 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 79.83 -51.8 4.1 Favored Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.543 1.152 . . . . 0.0 110.98 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -71.52 -29.19 64.5 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.483 0.755 . . . . 0.0 109.301 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 77' ' ' PHE . . . . . 0.596 ' CE1' ' CG2' ' A' ' 93' ' ' THR . 16.8 t80 -77.66 -57.05 4.02 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.525 1.141 . . . . 0.0 110.957 -179.948 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 16.2 pt20 -51.0 -27.99 8.96 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.485 1.116 . . . . 0.0 110.294 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 3.4 mtmt -74.89 -39.46 61.47 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.556 1.16 . . . . 0.0 109.294 -179.919 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 80' ' ' TRP . . . . . . . . . . . . . 2.5 t90 . . . . . 0 C--N 1.326 -0.432 0 O-C-N 124.554 1.159 . . . . 0.0 107.947 179.994 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.452 -0.332 0 N-CA-C 109.273 -0.64 . . . . 0.0 109.273 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 89' ' ' LEU . . . . . 0.724 HD23 ' HD2' ' A' ' 90' ' ' PRO . 0.3 OUTLIER -91.21 120.57 68.45 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.562 1.164 . . . . 0.0 109.335 179.988 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 90' ' ' PRO . . . . . 0.724 ' HD2' HD23 ' A' ' 89' ' ' LEU . 18.4 Cg_endo -74.95 127.0 10.37 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.484 1.781 . . . . 0.0 111.007 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 91' ' ' VAL . . . . . 0.425 ' O ' ' HB ' ' A' ' 11' ' ' THR . 38.2 t -140.32 125.06 19.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.513 1.133 . . . . 0.0 109.297 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 92' ' ' VAL . . . . . 0.779 HG22 HG22 ' A' ' 11' ' ' THR . 30.4 t -123.16 134.98 64.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.467 1.105 . . . . 0.0 109.3 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 93' ' ' THR . . . . . 0.596 ' CG2' ' CE1' ' A' ' 77' ' ' PHE . 2.0 p -112.69 117.54 32.52 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.463 1.102 . . . . 0.0 110.468 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 94' ' ' ASP . . . . . 0.69 ' CB ' HD11 ' A' ' 9' ' ' LEU . 62.3 t0 -115.0 111.52 21.26 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.561 1.163 . . . . 0.0 109.312 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 11.8 t-20 -58.91 118.8 6.18 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.429 1.081 . . . . 0.0 109.331 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 86.7 -16.56 45.32 Favored Glycine 0 CA--C 1.529 0.93 0 O-C-N 124.484 1.115 . . . . 0.0 111.081 -179.947 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 67.12 58.96 7.37 Favored Glycine 0 CA--C 1.53 1.026 0 N-CA-C 110.991 -0.844 . . . . 0.0 110.991 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 98' ' ' THR . . . . . 0.432 ' O ' ' CB ' ' A' ' 102' ' ' SER . 15.6 m -53.05 -32.09 45.03 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.491 0.76 . . . . 0.0 110.351 -179.951 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 99' ' ' ILE . . . . . 0.753 ' N ' HD13 ' A' ' 99' ' ' ILE . 1.1 mm -73.55 -36.45 47.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.616 1.198 . . . . 0.0 109.258 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 100' ' ' ALA . . . . . 0.404 ' O ' ' N ' ' A' ' 105' ' ' ILE . . . -77.05 -40.21 47.15 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.571 1.169 . . . . 0.0 109.297 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 2.6 tt0 -73.36 -32.55 64.58 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.485 1.116 . . . . 0.0 110.226 -179.94 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 102' ' ' SER . . . . . 0.432 ' CB ' ' O ' ' A' ' 98' ' ' THR . 30.6 t -68.04 -34.6 76.78 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.435 1.085 . . . . 0.0 109.956 -179.95 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 103' ' ' LEU . . . . . 1.049 HD21 HG11 ' A' ' 120' ' ' VAL . 15.2 mt -109.37 13.39 24.21 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.545 1.153 . . . . 0.0 109.265 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 12.3 t30 40.92 73.12 0.13 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.453 1.096 . . . . 0.0 109.304 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 105' ' ' ILE . . . . . 0.954 HD11 HD11 ' A' ' 123' ' ' ILE . 61.6 mt -110.65 133.05 57.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.4 1.062 . . . . 0.0 109.371 179.919 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 106' ' ' SER . . . . . 0.41 ' HA ' HD21 ' A' ' 69' ' ' LEU . 13.1 p -146.43 33.91 0.96 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.46 1.1 . . . . 0.0 110.011 -179.924 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 2.0 p -147.17 132.33 11.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.548 1.155 . . . . 0.0 109.357 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 108' ' ' TYR . . . . . 0.572 ' CE1' ' HB3' ' A' ' 31' ' ' PHE . 23.0 m-85 -131.03 152.73 81.19 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.499 1.124 . . . . 0.0 111.016 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 109' ' ' PRO . . . . . 0.523 ' C ' ' HA ' ' A' ' 108' ' ' TYR . 18.3 Cg_endo -75.09 157.98 99.18 Favored 'Cis proline' 0 C--N 1.359 1.115 0 C-N-CA 121.04 -2.483 . . . . 0.0 110.979 0.104 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 110' ' ' SER . . . . . 0.414 ' O ' ' HA ' ' A' ' 30' ' ' LYS . 0.4 OUTLIER -130.71 161.0 32.63 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.54 1.15 . . . . 0.0 110.055 -180.0 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 111' ' ' TRP . . . . . 0.448 ' CZ2' ' HG3' ' A' ' 30' ' ' LYS . 76.1 m95 -135.64 139.65 43.93 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 108.016 -1.105 . . . . 0.0 108.016 179.941 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 112' ' ' ALA . . . . . 0.498 ' HB3' ' HB ' ' A' ' 29' ' ' ILE . . . -131.19 132.23 44.56 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.379 1.049 . . . . 0.0 109.236 -179.947 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 113' ' ' LEU . . . . . 0.681 ' C ' HD12 ' A' ' 114' ' ' ILE . 16.6 tp -108.3 126.83 53.28 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.52 1.138 . . . . 0.0 109.285 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 114' ' ' ILE . . . . . 0.681 HD12 ' C ' ' A' ' 113' ' ' LEU . 1.7 mp -113.72 132.8 61.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.508 1.13 . . . . 0.0 109.278 179.941 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 115' ' ' GLY . . . . . 0.416 ' N ' ' HB2' ' A' ' 121' ' ' GLN . . . -52.41 169.67 0.62 Allowed Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.489 1.118 . . . . 0.0 111.016 179.961 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.18 -13.76 62.6 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.565 0.803 . . . . 0.0 109.309 -179.944 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -85.85 -17.57 35.25 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.511 1.132 . . . . 0.0 109.28 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 118' ' ' GLY . . . . . 0.428 ' HA2' ' CG2' ' A' ' 114' ' ' ILE . . . 96.89 32.7 6.38 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.606 1.191 . . . . 0.0 110.982 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 119' ' ' ASP . . . . . 0.514 ' N ' HG23 ' A' ' 114' ' ' ILE . 0.9 OUTLIER -124.72 142.37 51.44 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.557 0.798 . . . . 0.0 109.367 179.922 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 120' ' ' VAL . . . . . 1.049 HG11 HD21 ' A' ' 103' ' ' LEU . 75.1 t -44.69 118.56 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.444 1.09 . . . . 0.0 109.353 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 121' ' ' GLN . . . . . 0.416 ' HB2' ' N ' ' A' ' 115' ' ' GLY . 3.0 tt0 -98.98 -57.54 2.15 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.534 1.147 . . . . 0.0 110.237 -179.912 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -147.83 140.68 24.81 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.533 1.146 . . . . 0.0 110.337 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 123' ' ' ILE . . . . . 0.954 HD11 HD11 ' A' ' 105' ' ' ILE . 0.9 OUTLIER -105.38 134.0 48.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.479 1.112 . . . . 0.0 109.261 -179.928 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 97.5 t -124.47 130.39 73.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.411 1.069 . . . . 0.0 109.275 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 28.6 mttt -117.17 119.4 35.11 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.535 1.147 . . . . 0.0 109.227 -179.945 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . 126.33 -171.77 18.07 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.484 1.115 . . . . 0.0 110.972 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 3.6 m -103.1 135.92 43.87 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.562 0.801 . . . . 0.0 110.045 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 128' ' ' ILE . . . . . . . . . . . . . 18.5 pt -114.96 162.83 12.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.463 1.102 . . . . 0.0 109.331 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 129' ' ' ASN . . . . . . . . . . . . . 3.0 p30 -108.16 168.62 9.17 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.57 1.168 . . . . 0.0 109.33 179.938 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 27.0 tt0 -49.82 -41.64 45.35 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.545 1.153 . . . . 0.0 110.254 -179.919 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -55.43 -53.46 56.04 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.528 1.143 . . . . 0.0 109.278 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -50.91 -45.5 60.31 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.449 1.093 . . . . 0.0 110.354 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -51.38 -45.71 62.53 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.567 1.167 . . . . 0.0 109.332 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 134' ' ' LEU . . . . . 0.402 ' CD2' ' HB3' ' A' ' 54' ' ' LYS . 25.5 mt . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.447 1.092 . . . . 0.0 109.236 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.35 0 CA-C-O 120.446 0.165 . . . . 0.0 110.967 . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 3.5 m -52.95 154.55 5.01 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.462 1.101 . . . . 0.0 109.195 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.92 -13.58 21.56 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.556 1.819 . . . . 0.0 110.942 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 2.5 t-160 -76.74 -30.0 56.39 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.45 1.094 . . . . 0.0 109.635 -179.915 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 20.6 m -82.0 -43.62 17.75 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.602 1.189 . . . . 0.0 110.378 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.4 HD12 HD12 ' A' ' 9' ' ' LEU . 16.7 tp -61.96 -43.08 99.58 Favored 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.423 1.077 . . . . 0.0 109.288 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 89.3 p -72.05 -22.88 61.31 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.495 1.122 . . . . 0.0 110.005 -179.904 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 1.3 m -71.89 -28.15 63.32 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.581 1.176 . . . . 0.0 110.397 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.71 HD11 ' CD1' ' A' ' 99' ' ' ILE . 20.8 mt -46.55 165.16 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.414 0 O-C-N 124.501 1.126 . . . . 0.0 109.372 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.412 ' HA ' ' O ' ' A' ' 15' ' ' ARG . 0.4 OUTLIER -133.96 149.02 51.23 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.472 1.108 . . . . 0.0 109.26 -179.921 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 11' ' ' THR . . . . . 0.565 HG22 HG22 ' A' ' 92' ' ' VAL . 10.1 p -92.68 177.47 6.09 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.57 1.168 . . . . 0.0 110.454 179.932 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -66.26 -11.44 50.31 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.486 1.116 . . . . 0.0 109.302 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -98.77 20.47 13.0 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.456 1.098 . . . . 0.0 109.309 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 51.57 30.05 6.11 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.48 1.113 . . . . 0.0 109.291 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 15' ' ' ARG . . . . . 0.412 ' O ' ' HA ' ' A' ' 10' ' ' LYS . 19.7 mtp180 -102.07 153.64 37.89 Favored Pre-proline 0 C--N 1.324 -0.525 0 O-C-N 124.56 1.163 . . . . 0.0 110.247 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.92 130.07 13.01 Favored 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.474 1.776 . . . . 0.0 111.037 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -65.01 -14.51 60.59 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.543 1.152 . . . . 0.0 109.277 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' SER . . . . . 0.401 ' O ' ' N ' ' A' ' 21' ' ' LEU . 55.6 p -61.39 -40.32 93.91 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.481 1.113 . . . . 0.0 110.035 -179.947 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 27.2 t -53.33 -23.06 6.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.561 1.163 . . . . 0.0 109.321 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' TYR . . . . . 0.416 ' CZ ' ' HB3' ' A' ' 90' ' ' PRO . 14.8 m-85 -101.88 23.0 12.04 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.373 1.045 . . . . 0.0 110.979 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.496 ' O ' ' CB ' ' A' ' 22' ' ' LYS . 0.2 OUTLIER -151.53 115.24 4.89 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.44 1.087 . . . . 0.0 109.312 179.975 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 22' ' ' LYS . . . . . 0.496 ' CB ' ' O ' ' A' ' 21' ' ' LEU . 0.0 OUTLIER 164.27 -178.14 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.518 1.136 . . . . 0.0 109.31 -179.974 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 66.06 26.31 10.77 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.451 1.095 . . . . 0.0 109.244 179.948 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 67.6 m-20 40.43 39.19 0.67 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.608 1.193 . . . . 0.0 109.3 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 1.2 mttp -103.34 160.61 25.61 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.461 1.101 . . . . 0.0 109.346 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 154.45 42.81 Favored 'Trans proline' 0 C--N 1.361 1.217 0 O-C-N 124.423 1.749 . . . . 0.0 110.967 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' THR . . . . . 0.545 HG23 ' HB2' ' A' ' 59' ' ' ASN . 40.2 m -129.8 141.12 50.9 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.46 1.1 . . . . 0.0 110.353 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.475 HD13 HD21 ' A' ' 136' ' ' LEU . 16.5 tp -125.32 129.99 51.07 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.425 1.078 . . . . 0.0 109.272 179.949 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.443 HG23 HG23 ' A' ' 63' ' ' VAL . 12.5 mt -110.4 148.22 14.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.473 1.108 . . . . 0.0 109.279 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.563 ' HB2' ' CE3' ' A' ' 111' ' ' TRP . 3.6 tptp -138.35 115.44 10.94 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.55 1.157 . . . . 0.0 109.306 179.943 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 31' ' ' PHE . . . . . 0.593 ' HB3' ' CE1' ' A' ' 108' ' ' TYR . 61.4 m-85 -86.21 137.3 32.74 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.541 1.15 . . . . 0.0 110.993 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 32' ' ' TRP . . . . . 0.565 ' CZ3' HD11 ' A' ' 43' ' ' LEU . 16.7 p-90 -141.07 171.54 13.92 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.519 1.137 . . . . 0.0 108.025 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 33' ' ' ALA . . . . . 0.439 ' HB1' ' CE2' ' A' ' 35' ' ' TRP . . . -138.88 146.02 40.65 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.544 1.152 . . . . 0.0 109.265 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 34' ' ' SER . . . . . 0.568 ' HB3' ' CZ3' ' A' ' 80' ' ' TRP . 0.3 OUTLIER -69.06 -38.7 79.22 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.5 1.125 . . . . 0.0 110.023 -179.949 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 35' ' ' TRP . . . . . 0.439 ' CE2' ' HB1' ' A' ' 33' ' ' ALA . 14.0 p-90 -69.13 -10.09 55.97 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.526 1.141 . . . . 0.0 107.971 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 43.1 t -94.55 114.99 64.79 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.447 1.092 . . . . 0.0 108.195 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.0 -50.61 0.13 Allowed 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.428 1.751 . . . . 0.0 110.986 179.933 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.422 ' HG ' ' N ' ' A' ' 39' ' ' CYS . 0.3 OUTLIER -50.34 -35.08 26.22 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.57 1.169 . . . . 0.0 109.289 179.973 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 39' ' ' CYS . . . . . 0.422 ' N ' ' HG ' ' A' ' 38' ' ' LEU . 1.0 OUTLIER -70.54 -50.91 32.58 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.503 1.127 . . . . 0.0 108.311 -179.977 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 43.0 mt -51.13 -47.14 62.1 Favored 'General case' 0 C--N 1.327 -0.41 0 O-C-N 124.463 1.102 . . . . 0.0 109.277 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 9.3 p -67.74 -24.89 65.41 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.526 1.141 . . . . 0.0 110.027 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' GLU . . . . . 0.41 ' O ' ' N ' ' A' ' 46' ' ' THR . 0.8 OUTLIER -75.87 -28.92 58.35 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.454 1.096 . . . . 0.0 110.294 179.981 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.565 HD11 ' CZ3' ' A' ' 32' ' ' TRP . 13.8 mt -47.94 -54.68 12.0 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.546 1.154 . . . . 0.0 109.343 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -51.62 -44.6 54.26 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.454 1.096 . . . . 0.0 111.05 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' GLN . . . . . 0.411 ' O ' ' CG ' ' A' ' 49' ' ' TRP . 1.1 tt0 -71.36 -32.0 68.01 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.562 0.801 . . . . 0.0 110.288 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 46' ' ' THR . . . . . 0.41 ' N ' ' O ' ' A' ' 42' ' ' GLU . 3.3 m -76.74 -29.14 56.04 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.524 1.14 . . . . 0.0 110.349 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 47' ' ' GLU . . . . . 0.436 ' N ' ' O ' ' A' ' 43' ' ' LEU . 23.5 tt0 -70.66 -40.15 73.18 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.488 1.118 . . . . 0.0 110.309 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.36 -32.31 48.97 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.459 1.099 . . . . 0.0 109.294 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 49' ' ' TRP . . . . . 0.411 ' CG ' ' O ' ' A' ' 45' ' ' GLN . 30.3 m0 -64.69 -30.45 71.47 Favored 'General case' 0 C--N 1.323 -0.576 0 O-C-N 124.55 1.157 . . . . 0.0 107.969 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -76.37 -9.09 58.38 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.473 1.108 . . . . 0.0 109.359 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 15.4 mt-30 -104.5 -3.37 24.03 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.566 1.166 . . . . 0.0 110.352 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' ASP . . . . . 0.43 ' OD1' ' N ' ' A' ' 54' ' ' LYS . 4.1 t0 -76.69 131.81 39.0 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.514 1.133 . . . . 0.0 109.221 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -53.59 -48.94 68.78 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.467 1.105 . . . . 0.0 109.209 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' LYS . . . . . 0.43 ' N ' ' OD1' ' A' ' 52' ' ' ASP . 0.1 OUTLIER -50.38 -43.03 54.24 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.549 1.156 . . . . 0.0 109.286 179.968 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 55' ' ' PHE . . . . . 0.577 ' CD1' HD12 ' A' ' 60' ' ' LEU . 1.3 m-85 -77.26 -36.2 54.62 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.459 1.099 . . . . 0.0 110.959 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 56' ' ' SER . . . . . 0.408 ' O ' ' C ' ' A' ' 57' ' ' SER . 20.5 m -46.71 -44.65 18.92 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.475 1.109 . . . . 0.0 109.979 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 57' ' ' SER . . . . . 0.408 ' C ' ' O ' ' A' ' 56' ' ' SER . 0.2 OUTLIER -38.97 -44.95 1.14 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.5 1.125 . . . . 0.0 109.995 -179.983 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -110.86 166.24 11.19 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.434 1.084 . . . . 0.0 109.232 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 59' ' ' ASN . . . . . 0.545 ' HB2' HG23 ' A' ' 27' ' ' THR . 16.9 m-20 -88.39 127.51 35.5 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.568 1.168 . . . . 0.0 109.221 -179.899 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.577 HD12 ' CD1' ' A' ' 55' ' ' PHE . 6.8 tt -116.97 126.13 52.45 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.487 1.117 . . . . 0.0 109.332 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.933 HD12 HG21 ' A' ' 92' ' ' VAL . 9.5 pt -151.67 160.38 3.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.39 1.057 . . . . 0.0 109.226 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 62' ' ' THR . . . . . 0.4 ' OG1' ' HA ' ' A' ' 91' ' ' VAL . 27.4 p -112.14 156.69 21.86 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.444 1.09 . . . . 0.0 110.37 -179.916 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 63' ' ' VAL . . . . . 0.443 HG23 HG23 ' A' ' 29' ' ' ILE . 3.0 t -129.0 140.95 47.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.508 1.13 . . . . 0.0 109.284 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -134.72 143.56 47.25 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.454 1.096 . . . . 0.0 109.262 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 65' ' ' SER . . . . . 0.436 ' CB ' ' HB3' ' A' ' 68' ' ' PHE . 1.6 m -114.13 107.63 51.64 Favored Pre-proline 0 C--N 1.326 -0.423 0 O-C-N 124.535 1.147 . . . . 0.0 110.025 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 66' ' ' PRO . . . . . 0.487 ' HA ' ' O ' ' A' ' 72' ' ' LYS . 18.2 Cg_endo -75.05 135.51 19.08 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.528 1.804 . . . . 0.0 111.077 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 66.96 8.0 46.5 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.541 1.151 . . . . 0.0 110.913 -179.935 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 68' ' ' PHE . . . . . 0.504 ' CD1' ' HB2' ' A' ' 69' ' ' LEU . 3.4 t80 -120.05 127.21 52.36 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.454 0.738 . . . . 0.0 111.005 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.749 HD23 ' CE2' ' A' ' 108' ' ' TYR . 5.7 tp 77.38 31.35 0.48 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.539 1.149 . . . . 0.0 109.263 179.944 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 57.3 m80 65.33 14.23 9.3 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.534 1.146 . . . . 0.0 109.668 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 71' ' ' GLU . . . . . 0.442 ' HB2' ' O ' ' A' ' 68' ' ' PHE . 0.1 OUTLIER -81.04 145.16 31.27 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.459 1.099 . . . . 0.0 110.335 -179.96 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 72' ' ' LYS . . . . . 0.487 ' O ' ' HA ' ' A' ' 66' ' ' PRO . 0.7 OUTLIER -39.85 152.04 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.443 1.09 . . . . 0.0 109.32 179.997 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 3.7 ttpt -77.92 165.86 23.58 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.437 1.085 . . . . 0.0 109.349 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 74' ' ' ASP . . . . . 0.419 ' N ' ' HB2' ' A' ' 66' ' ' PRO . 0.0 OUTLIER -65.94 147.04 53.98 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.46 1.1 . . . . 0.0 109.31 179.953 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 86.77 -48.29 3.85 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.514 1.134 . . . . 0.0 110.991 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 78.5 m-20 -76.75 -28.71 55.84 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.536 0.786 . . . . 0.0 109.303 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 4.8 t80 -77.67 -54.95 5.77 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.509 1.13 . . . . 0.0 111.019 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 78' ' ' GLN . . . . . 0.632 ' O ' ' HB2' ' A' ' 82' ' ' ALA . 16.1 pt20 -52.46 -34.93 51.25 Favored 'General case' 0 C--N 1.323 -0.548 0 O-C-N 124.426 1.078 . . . . 0.0 110.344 179.859 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -72.0 -39.58 69.13 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.577 1.173 . . . . 0.0 109.324 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 80' ' ' TRP . . . . . 0.568 ' CZ3' ' HB3' ' A' ' 34' ' ' SER . 7.0 t90 -64.71 -54.15 36.06 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 108.02 -1.104 . . . . 0.0 108.02 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 81' ' ' TYR . . . . . 0.741 ' CZ ' HG21 ' A' ' 91' ' ' VAL . 6.3 t80 -65.72 -28.25 68.92 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.494 1.121 . . . . 0.0 111.108 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 82' ' ' ALA . . . . . 0.632 ' HB2' ' O ' ' A' ' 78' ' ' GLN . . . -55.27 -23.78 24.78 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.459 1.099 . . . . 0.0 109.362 179.95 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -103.18 18.66 48.39 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.443 1.089 . . . . 0.0 111.053 179.923 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.503 HD11 ' NE1' ' A' ' 80' ' ' TRP . 24.6 mt -130.4 159.96 35.46 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.537 0.787 . . . . 0.0 109.316 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 85' ' ' ASN . . . . . 0.551 ' OD1' HD13 ' A' ' 43' ' ' LEU . 10.7 m120 51.09 -171.02 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.131 . . . . 0.0 109.255 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 40.4 m-85 -113.45 163.05 19.4 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.486 1.116 . . . . 0.0 111.049 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.1 46.31 1.53 Allowed 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.447 1.762 . . . . 0.0 110.956 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 2.5 mtmm -140.6 11.71 2.29 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.536 1.148 . . . . 0.0 109.299 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 0.919 HD12 ' HD2' ' A' ' 90' ' ' PRO . 0.5 OUTLIER -113.72 132.37 22.62 Favored Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.429 1.081 . . . . 0.0 109.294 179.928 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 90' ' ' PRO . . . . . 0.919 ' HD2' HD12 ' A' ' 89' ' ' LEU . 18.3 Cg_endo -74.95 126.88 10.29 Favored 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.46 1.768 . . . . 0.0 111.003 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 91' ' ' VAL . . . . . 0.741 HG21 ' CZ ' ' A' ' 81' ' ' TYR . 3.7 t -137.81 122.53 23.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 O-C-N 124.512 1.132 . . . . 0.0 109.327 179.939 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 92' ' ' VAL . . . . . 0.933 HG21 HD12 ' A' ' 61' ' ' ILE . 28.2 t -116.58 134.19 60.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.546 1.154 . . . . 0.0 109.298 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 4.7 p -118.88 118.59 31.94 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.392 1.058 . . . . 0.0 110.377 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 58.6 t0 -114.88 111.18 20.79 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.528 1.142 . . . . 0.0 109.328 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 22.3 t-20 -58.43 113.48 2.0 Allowed 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.511 1.132 . . . . 0.0 109.302 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 87.37 -19.71 30.37 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.482 1.114 . . . . 0.0 111.073 -179.939 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 63.98 71.48 0.84 Allowed Glycine 0 CA--C 1.53 0.976 0 N-CA-C 110.973 -0.851 . . . . 0.0 110.973 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 2.5 m -61.95 -36.77 82.4 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.483 0.754 . . . . 0.0 110.399 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 99' ' ' ILE . . . . . 0.71 ' CD1' HD11 ' A' ' 9' ' ' LEU . 3.1 mt -74.47 -37.74 44.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.545 1.153 . . . . 0.0 109.32 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -70.55 -37.23 74.0 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.452 1.095 . . . . 0.0 109.233 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -79.68 -34.88 39.9 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.517 1.136 . . . . 0.0 110.303 -179.952 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 34.2 t -63.56 -39.16 93.68 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.556 1.16 . . . . 0.0 109.969 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 103' ' ' LEU . . . . . 0.82 HD13 HD12 ' A' ' 123' ' ' ILE . 58.8 mt -88.93 -1.45 58.1 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.495 1.122 . . . . 0.0 109.324 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 16.5 t-20 54.55 49.88 17.25 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.54 1.15 . . . . 0.0 109.352 -179.906 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 105' ' ' ILE . . . . . 0.5 HG22 ' H ' ' A' ' 107' ' ' VAL . 18.7 mt -83.84 -79.09 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.4 1.063 . . . . 0.0 109.323 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 22.5 p 53.73 32.1 14.1 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.524 1.14 . . . . 0.0 109.983 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 107' ' ' VAL . . . . . 0.5 ' H ' HG22 ' A' ' 105' ' ' ILE . 7.7 p -148.66 132.05 7.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.627 1.204 . . . . 0.0 109.3 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 108' ' ' TYR . . . . . 0.749 ' CE2' HD23 ' A' ' 69' ' ' LEU . 17.4 m-85 -130.76 153.17 81.53 Favored Pre-proline 0 C--N 1.324 -0.538 0 O-C-N 124.603 1.19 . . . . 0.0 111.027 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 109' ' ' PRO . . . . . 0.523 ' C ' ' HA ' ' A' ' 108' ' ' TYR . 18.5 Cg_endo -75.03 173.03 60.03 Favored 'Cis proline' 0 C--N 1.36 1.175 0 C-N-CA 120.982 -2.507 . . . . 0.0 111.006 0.059 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 110' ' ' SER . . . . . 0.404 ' O ' ' HA ' ' A' ' 30' ' ' LYS . 5.1 m -158.18 149.54 21.17 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.536 1.147 . . . . 0.0 109.912 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 111' ' ' TRP . . . . . 0.563 ' CE3' ' HB2' ' A' ' 30' ' ' LYS . 83.5 m95 -123.36 141.59 51.83 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.611 1.194 . . . . 0.0 108.013 179.942 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -133.8 138.14 45.52 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.502 1.126 . . . . 0.0 109.291 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 49.5 tp -108.58 133.45 52.69 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.455 1.097 . . . . 0.0 109.297 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 114' ' ' ILE . . . . . 0.549 HD13 ' HA ' ' A' ' 120' ' ' VAL . 48.7 mm -120.55 115.23 46.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.515 1.135 . . . . 0.0 109.286 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -43.04 166.71 0.01 OUTLIER Glycine 0 CA--C 1.531 1.064 0 O-C-N 124.563 1.165 . . . . 0.0 110.979 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.34 -10.32 49.82 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.534 0.785 . . . . 0.0 109.305 -179.947 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -85.8 -22.12 27.8 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.511 1.132 . . . . 0.0 109.303 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . 99.49 30.28 6.63 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.561 1.163 . . . . 0.0 110.948 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 1.1 p30 -124.07 159.74 29.26 Favored 'General case' 0 C--N 1.323 -0.557 0 O-C-N 124.556 0.798 . . . . 0.0 109.294 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 120' ' ' VAL . . . . . 0.549 ' HA ' HD13 ' A' ' 114' ' ' ILE . 84.1 t -59.64 117.86 2.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.533 1.146 . . . . 0.0 109.286 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -101.46 -55.51 2.51 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.438 1.086 . . . . 0.0 110.337 179.938 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -148.34 142.31 25.86 Favored 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.528 1.142 . . . . 0.0 110.292 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 123' ' ' ILE . . . . . 0.82 HD12 HD13 ' A' ' 103' ' ' LEU . 12.3 tt -114.29 136.83 49.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.509 1.131 . . . . 0.0 109.333 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 73.5 t -122.15 137.21 56.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.545 1.153 . . . . 0.0 109.241 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 9.9 pttt -113.98 119.95 38.95 Favored 'General case' 0 C--N 1.326 -0.415 0 O-C-N 124.477 1.111 . . . . 0.0 109.281 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . 119.67 -146.37 18.04 Favored Glycine 0 CA--C 1.529 0.911 0 O-C-N 124.448 1.093 . . . . 0.0 111.034 -179.931 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -125.99 161.48 27.42 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.382 0.695 . . . . 0.0 109.984 -179.927 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 128' ' ' ILE . . . . . . . . . . . . . 13.9 pt -136.41 166.77 25.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.532 1.145 . . . . 0.0 109.316 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 129' ' ' ASN . . . . . 0.677 ' ND2' ' HB3' ' A' ' 131' ' ' ALA . 1.6 p-10 -106.57 169.17 8.68 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.61 1.194 . . . . 0.0 109.249 -179.929 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 10.4 tt0 -56.57 -36.8 69.73 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.509 1.131 . . . . 0.0 110.318 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 131' ' ' ALA . . . . . 0.677 ' HB3' ' ND2' ' A' ' 129' ' ' ASN . . . -63.16 -50.09 71.76 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.493 1.12 . . . . 0.0 109.282 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 1.3 tt0 -50.95 -44.88 60.56 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.577 1.173 . . . . 0.0 110.315 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 133' ' ' ALA . . . . . 0.486 ' CB ' ' CZ ' ' A' ' 55' ' ' PHE . . . -52.79 -45.64 67.28 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.487 1.117 . . . . 0.0 109.3 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 23.2 mt -57.37 -50.42 73.04 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.486 1.116 . . . . 0.0 109.304 -179.93 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -60.9 -30.29 70.09 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.476 1.11 . . . . 0.0 109.379 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 136' ' ' LEU . . . . . 0.475 HD21 HD13 ' A' ' 28' ' ' LEU . 32.0 tp -69.69 -47.19 64.11 Favored 'General case' 0 C--N 1.327 -0.397 0 O-C-N 124.451 1.094 . . . . 0.0 109.307 179.947 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 137' ' ' ILE . . . . . . . . . . . . . 5.5 mt -70.59 -23.27 24.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.465 1.103 . . . . 0.0 109.258 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -80.36 -47.55 14.29 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.473 1.108 . . . . 0.0 110.291 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 139' ' ' ASP . . . . . 0.434 ' OD1' ' ND2' ' A' ' 141' ' ' ASN . 1.9 t70 -170.14 135.2 1.19 Allowed Pre-proline 0 C--N 1.327 -0.402 0 O-C-N 124.475 1.109 . . . . 0.0 109.213 -179.942 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.05 -21.24 15.96 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.53 1.805 . . . . 0.0 111.006 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 141' ' ' ASN . . . . . 0.434 ' ND2' ' OD1' ' A' ' 139' ' ' ASP . 83.5 m-20 -67.57 -23.71 65.44 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.497 1.123 . . . . 0.0 109.301 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -50.7 121.63 6.12 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.39 1.056 . . . . 0.0 109.249 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 143' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -166.35 135.4 3.04 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.449 1.093 . . . . 0.0 109.248 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.326 -0.455 0 O-C-N 124.476 1.11 . . . . 0.0 109.284 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.7 tmm? . . . . . 0 N--CA 1.453 -0.318 0 CA-C-O 120.52 0.2 . . . . 0.0 111.042 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' VAL . . . . . 0.468 HG22 HG23 ' A' ' 5' ' ' THR . 3.6 m -122.18 160.57 47.11 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.487 1.117 . . . . 0.0 109.256 -179.914 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 3' ' ' PRO . . . . . 0.483 ' HA ' ' HB3' ' A' ' 6' ' ' LEU . 18.6 Cg_endo -74.91 -17.39 19.81 Favored 'Trans proline' 0 C--N 1.361 1.231 0 O-C-N 124.477 1.778 . . . . 0.0 111.072 179.948 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 8.0 t60 -59.96 -39.15 84.62 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.515 1.134 . . . . 0.0 109.561 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.468 HG23 HG22 ' A' ' 2' ' ' VAL . 30.9 p -82.88 -40.72 19.86 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.486 1.116 . . . . 0.0 110.338 -179.935 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.624 HD23 HD21 ' A' ' 21' ' ' LEU . 7.1 tp -46.56 -33.23 3.95 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.458 1.099 . . . . 0.0 109.273 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 2.8 t -51.27 -21.74 2.32 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.551 1.157 . . . . 0.0 109.958 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 99.7 m -68.46 -38.56 81.19 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.443 1.09 . . . . 0.0 110.406 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.422 ' HB2' ' O ' ' A' ' 6' ' ' LEU . 3.9 mm? -41.62 150.1 0.11 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.47 1.106 . . . . 0.0 109.211 -179.946 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.406 ' HA ' ' O ' ' A' ' 15' ' ' ARG . 4.5 mmmt -116.37 141.07 48.64 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.486 1.116 . . . . 0.0 109.368 179.933 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 11' ' ' THR . . . . . 0.632 HG22 HG22 ' A' ' 92' ' ' VAL . 13.4 p -82.36 -177.38 6.64 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.474 1.109 . . . . 0.0 110.435 -179.923 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 12' ' ' ALA . . . . . 0.592 ' CB ' ' CE1' ' A' ' 81' ' ' TYR . . . -73.69 -3.98 31.57 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.571 1.169 . . . . 0.0 109.348 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -109.04 26.65 10.37 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.54 1.15 . . . . 0.0 109.326 179.876 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 47.22 36.26 4.42 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.509 1.131 . . . . 0.0 109.309 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 15' ' ' ARG . . . . . 0.406 ' O ' ' HA ' ' A' ' 10' ' ' LYS . 5.3 mtt180 -111.03 157.35 38.97 Favored Pre-proline 0 C--N 1.326 -0.433 0 O-C-N 124.451 1.094 . . . . 0.0 110.254 -179.948 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 16' ' ' PRO . . . . . 0.823 ' O ' HG22 ' A' ' 19' ' ' VAL . 18.4 Cg_endo -75.04 128.66 11.63 Favored 'Trans proline' 0 C--N 1.361 1.23 0 O-C-N 124.496 1.787 . . . . 0.0 110.987 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -49.36 -30.91 8.39 Favored 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.507 1.129 . . . . 0.0 109.224 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -55.04 -19.22 6.58 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.49 1.119 . . . . 0.0 109.971 -179.884 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.823 HG22 ' O ' ' A' ' 16' ' ' PRO . 12.2 m -48.05 -48.01 12.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.503 1.127 . . . . 0.0 109.31 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 18.5 m-85 -117.72 24.51 11.01 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.534 1.146 . . . . 0.0 110.995 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.624 HD21 HD23 ' A' ' 6' ' ' LEU . 0.0 OUTLIER -112.83 111.06 21.57 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.527 1.142 . . . . 0.0 109.292 179.978 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -112.38 127.77 56.11 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.397 1.061 . . . . 0.0 109.3 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.9 16.54 2.76 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.474 1.109 . . . . 0.0 109.242 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -144.06 16.74 1.74 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.533 1.145 . . . . 0.0 109.314 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 6.9 mmmt -145.32 154.71 53.83 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.542 1.151 . . . . 0.0 109.23 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.93 128.55 11.63 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.571 1.827 . . . . 0.0 111.012 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 24.8 m -112.1 130.43 55.89 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.551 1.157 . . . . 0.0 110.48 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.785 HD12 ' O ' ' A' ' 112' ' ' ALA . 53.1 tp -111.45 129.57 55.99 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.471 1.107 . . . . 0.0 109.298 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.733 ' HB ' ' HB3' ' A' ' 112' ' ' ALA . 4.4 mt -108.98 149.38 12.24 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 O-C-N 124.555 1.16 . . . . 0.0 109.321 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.558 ' HD2' ' CZ2' ' A' ' 111' ' ' TRP . 12.6 tttt -139.18 117.09 11.62 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.547 1.154 . . . . 0.0 109.285 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 31' ' ' PHE . . . . . 0.631 ' CZ ' HD12 ' A' ' 105' ' ' ILE . 41.7 m-85 -89.61 120.4 30.86 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.459 1.1 . . . . 0.0 111.027 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 32' ' ' TRP . . . . . 0.768 ' CE3' HD21 ' A' ' 43' ' ' LEU . 6.4 p-90 -127.15 168.34 14.8 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 108.074 -1.084 . . . . 0.0 108.074 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 33' ' ' ALA . . . . . 0.484 ' HB3' ' HB2' ' A' ' 36' ' ' CYS . . . -132.23 135.65 46.44 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.562 1.164 . . . . 0.0 109.26 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 34' ' ' SER . . . . . 0.6 ' O ' HD11 ' A' ' 40' ' ' LEU . 0.5 OUTLIER -63.79 -35.73 81.58 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.497 1.123 . . . . 0.0 110.041 179.986 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 23.6 p-90 -71.46 -19.44 62.22 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.479 1.112 . . . . 0.0 108.041 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' CYS . . . . . 0.484 ' HB2' ' HB3' ' A' ' 33' ' ' ALA . 37.3 t -81.13 116.54 63.3 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.508 1.13 . . . . 0.0 108.284 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 37' ' ' PRO . . . . . 0.492 ' HA ' HD12 ' A' ' 40' ' ' LEU . 18.3 Cg_endo -75.06 -46.93 0.21 Allowed 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.483 1.781 . . . . 0.0 110.955 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.561 HD23 ' O ' ' A' ' 38' ' ' LEU . 3.2 tt -52.69 -32.26 41.67 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.477 1.11 . . . . 0.0 109.332 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 36.1 m -77.38 -45.02 27.31 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.482 1.114 . . . . 0.0 108.35 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.6 HD11 ' O ' ' A' ' 34' ' ' SER . 23.2 mt -51.38 -45.3 62.39 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.456 1.097 . . . . 0.0 109.338 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.4 p -70.53 -24.91 62.9 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.479 1.112 . . . . 0.0 109.972 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 2.8 tp10 -78.54 -24.46 45.64 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.572 1.17 . . . . 0.0 110.26 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.768 HD21 ' CE3' ' A' ' 32' ' ' TRP . 70.7 mt -46.33 -54.35 9.14 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.545 1.153 . . . . 0.0 109.24 -179.94 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -55.49 -52.67 46.36 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.409 1.068 . . . . 0.0 110.934 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 7.5 tt0 -56.72 -33.07 66.14 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.547 0.793 . . . . 0.0 110.212 -179.853 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 87.9 m -69.89 -42.63 73.16 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.518 1.137 . . . . 0.0 110.433 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 20.3 tt0 -65.81 -33.06 75.0 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.495 1.122 . . . . 0.0 110.256 -179.932 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 11.3 tptt -77.92 -38.7 44.97 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.464 1.103 . . . . 0.0 109.356 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 49' ' ' TRP . . . . . 0.501 ' HB3' ' CE2' ' A' ' 55' ' ' PHE . 40.8 m0 -69.57 -27.89 65.51 Favored 'General case' 0 C--N 1.327 -0.401 0 O-C-N 124.476 1.11 . . . . 0.0 108.01 -179.941 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -75.02 -9.14 58.25 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.485 1.116 . . . . 0.0 109.288 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 4.7 mm-40 -106.14 -16.03 14.71 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.488 1.118 . . . . 0.0 110.318 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 44.6 t0 -63.83 125.19 23.56 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.543 1.152 . . . . 0.0 109.306 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -50.02 -45.51 52.03 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.447 1.092 . . . . 0.0 109.3 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 60.4 mmtt -49.39 -45.06 45.58 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.495 1.122 . . . . 0.0 109.313 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 55' ' ' PHE . . . . . 0.645 ' CE1' HD12 ' A' ' 60' ' ' LEU . 2.2 m-85 -73.99 -30.78 62.66 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.508 1.13 . . . . 0.0 110.992 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 5.2 t -46.4 -39.03 9.78 Favored 'General case' 0 C--N 1.323 -0.568 0 O-C-N 124.51 1.131 . . . . 0.0 109.935 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 11.8 t -40.71 -56.72 2.08 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.526 1.142 . . . . 0.0 110.052 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -105.96 165.83 10.93 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.459 1.099 . . . . 0.0 109.232 -179.93 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 59' ' ' ASN . . . . . 0.408 ' N ' ' OD1' ' A' ' 59' ' ' ASN . 0.3 OUTLIER -88.95 123.62 33.47 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.557 1.161 . . . . 0.0 109.263 -179.978 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.741 ' C ' HD23 ' A' ' 60' ' ' LEU . 2.9 tt -109.83 127.57 54.77 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.505 1.128 . . . . 0.0 109.281 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.551 ' N ' HD23 ' A' ' 60' ' ' LEU . 1.0 OUTLIER -151.21 161.48 3.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.511 1.132 . . . . 0.0 109.278 179.995 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 62' ' ' THR . . . . . 0.478 ' HB ' ' CD1' ' A' ' 32' ' ' TRP . 34.9 p -116.06 150.92 36.53 Favored 'General case' 0 C--N 1.327 -0.407 0 O-C-N 124.464 1.102 . . . . 0.0 110.395 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 63' ' ' VAL . . . . . 0.447 HG23 HG23 ' A' ' 29' ' ' ILE . 2.2 t -122.92 144.16 33.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.597 1.185 . . . . 0.0 109.286 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 64' ' ' ALA . . . . . 0.446 ' N ' ' O ' ' A' ' 92' ' ' VAL . . . -134.59 139.13 45.12 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.531 1.144 . . . . 0.0 109.262 -179.932 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 65' ' ' SER . . . . . 0.438 ' CB ' ' HB3' ' A' ' 68' ' ' PHE . 10.0 m -113.18 108.16 53.13 Favored Pre-proline 0 C--N 1.326 -0.416 0 O-C-N 124.445 1.091 . . . . 0.0 109.98 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.91 135.12 18.83 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.525 1.803 . . . . 0.0 111.045 179.936 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 72.32 3.26 56.93 Favored Glycine 0 CA--C 1.531 1.061 0 O-C-N 124.436 1.085 . . . . 0.0 110.99 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 68' ' ' PHE . . . . . 0.438 ' HB3' ' CB ' ' A' ' 65' ' ' SER . 70.8 t80 -120.97 131.96 54.63 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.475 0.75 . . . . 0.0 111.017 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.423 HD23 ' CE2' ' A' ' 68' ' ' PHE . 0.2 OUTLIER 75.62 20.04 1.95 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.375 1.047 . . . . 0.0 109.297 -179.977 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER 71.09 27.38 3.31 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.472 1.107 . . . . 0.0 109.607 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -90.56 144.09 26.11 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.538 1.149 . . . . 0.0 110.28 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 72' ' ' LYS . . . . . 0.422 ' HE2' ' CE3' ' A' ' 80' ' ' TRP . 0.9 OUTLIER -40.71 148.85 0.09 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.575 1.172 . . . . 0.0 109.372 179.957 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 13.8 ptmt -74.81 163.11 28.02 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.513 1.133 . . . . 0.0 109.291 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -58.82 139.65 56.12 Favored 'General case' 0 C--N 1.327 -0.408 0 O-C-N 124.528 1.143 . . . . 0.0 109.307 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 90.49 -43.82 2.91 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.413 1.071 . . . . 0.0 110.993 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -74.1 -32.29 63.16 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.55 0.794 . . . . 0.0 109.354 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 77' ' ' PHE . . . . . 0.42 ' CD2' ' N ' ' A' ' 78' ' ' GLN . 5.1 t80 -77.53 -57.69 3.68 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.45 1.094 . . . . 0.0 111.049 179.903 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 78' ' ' GLN . . . . . 0.42 ' N ' ' CD2' ' A' ' 77' ' ' PHE . 16.2 pt20 -51.12 -28.64 11.26 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.514 1.134 . . . . 0.0 110.3 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 79' ' ' LYS . . . . . 0.547 ' O ' ' HB3' ' A' ' 82' ' ' ALA . 0.2 OUTLIER -68.28 -50.55 52.92 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.54 1.15 . . . . 0.0 109.372 179.984 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 80' ' ' TRP . . . . . 0.665 ' NE1' HD11 ' A' ' 84' ' ' LEU . 5.5 t90 -65.73 -54.39 27.92 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 108.003 -1.11 . . . . 0.0 108.003 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 81' ' ' TYR . . . . . 0.592 ' CE1' ' CB ' ' A' ' 12' ' ' ALA . 0.4 OUTLIER -49.58 -27.81 4.94 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.546 1.154 . . . . 0.0 111.001 -179.987 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 82' ' ' ALA . . . . . 0.547 ' HB3' ' O ' ' A' ' 79' ' ' LYS . . . -58.94 -25.09 63.17 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.422 1.076 . . . . 0.0 109.309 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -105.76 18.17 41.0 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.479 1.112 . . . . 0.0 110.995 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.665 HD11 ' NE1' ' A' ' 80' ' ' TRP . 93.7 mt -119.48 128.48 54.02 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.454 0.737 . . . . 0.0 109.371 179.917 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 85' ' ' ASN . . . . . 0.421 ' OD1' HD22 ' A' ' 89' ' ' LEU . 0.5 OUTLIER 59.02 -174.41 0.1 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.576 1.173 . . . . 0.0 109.279 179.97 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -102.22 172.49 4.31 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.526 1.141 . . . . 0.0 110.963 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 46.73 1.59 Allowed 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.498 1.788 . . . . 0.0 111.03 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 11.1 mttt -140.79 11.72 2.25 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.451 1.094 . . . . 0.0 109.269 179.92 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 0.608 HD12 ' HD2' ' A' ' 90' ' ' PRO . 2.5 tp -108.04 126.08 30.57 Favored Pre-proline 0 C--N 1.323 -0.546 0 O-C-N 124.498 1.124 . . . . 0.0 109.28 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 90' ' ' PRO . . . . . 0.608 ' HD2' HD12 ' A' ' 89' ' ' LEU . 18.5 Cg_endo -74.96 128.14 11.28 Favored 'Trans proline' 0 C--N 1.361 1.22 0 O-C-N 124.518 1.799 . . . . 0.0 111.055 179.927 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 91' ' ' VAL . . . . . 0.42 ' O ' ' HB ' ' A' ' 11' ' ' THR . 57.9 t -146.47 122.63 3.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.479 1.112 . . . . 0.0 109.296 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 92' ' ' VAL . . . . . 0.632 HG22 HG22 ' A' ' 11' ' ' THR . 59.6 t -113.59 137.97 44.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.512 1.132 . . . . 0.0 109.292 179.943 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 2.4 p -119.4 115.86 24.96 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.508 1.13 . . . . 0.0 110.348 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 94' ' ' ASP . . . . . 0.797 ' OD2' HD12 ' A' ' 99' ' ' ILE . 54.5 t0 -114.92 111.77 21.68 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.469 1.106 . . . . 0.0 109.314 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 18.0 t-20 -58.04 119.03 6.06 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.505 1.128 . . . . 0.0 109.302 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 84.98 -12.76 57.0 Favored Glycine 0 CA--C 1.531 1.068 0 O-C-N 124.52 1.137 . . . . 0.0 111.031 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 58.9 64.31 4.41 Favored Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.609 0.829 . . . . 0.0 111.08 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 98' ' ' THR . . . . . 0.466 ' O ' ' CB ' ' A' ' 102' ' ' SER . 2.8 m -62.19 -28.64 69.81 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.528 0.781 . . . . 0.0 110.393 -179.929 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 99' ' ' ILE . . . . . 0.797 HD12 ' OD2' ' A' ' 94' ' ' ASP . 3.0 mt -80.34 -36.88 16.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.491 1.119 . . . . 0.0 109.223 -179.911 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -73.52 -35.89 65.64 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.441 1.088 . . . . 0.0 109.358 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 3.7 tt0 -80.67 -34.55 34.66 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.5 1.125 . . . . 0.0 110.288 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 102' ' ' SER . . . . . 0.466 ' CB ' ' O ' ' A' ' 98' ' ' THR . 5.0 m -64.38 -28.06 69.43 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.539 1.15 . . . . 0.0 110.04 179.94 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 8.8 mt -103.08 -14.35 16.46 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.454 1.096 . . . . 0.0 109.28 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 8.2 t30 69.91 58.68 0.28 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.411 1.069 . . . . 0.0 109.318 -179.902 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 105' ' ' ILE . . . . . 0.631 HD12 ' CZ ' ' A' ' 31' ' ' PHE . 9.9 mt -106.24 112.44 39.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.452 1.095 . . . . 0.0 109.28 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 5.3 p -129.77 36.7 4.04 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.503 1.127 . . . . 0.0 109.962 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 1.8 p -148.37 132.71 9.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.539 1.15 . . . . 0.0 109.202 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 108' ' ' TYR . . . . . 0.572 ' CE1' ' HB3' ' A' ' 31' ' ' PHE . 22.6 m-85 -130.52 152.27 80.07 Favored Pre-proline 0 C--N 1.326 -0.446 0 O-C-N 124.538 1.149 . . . . 0.0 111.071 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 109' ' ' PRO . . . . . 0.528 ' C ' ' HA ' ' A' ' 108' ' ' TYR . 18.4 Cg_endo -75.05 161.53 94.63 Favored 'Cis proline' 0 C--N 1.359 1.087 0 C-N-CA 121.023 -2.49 . . . . 0.0 110.976 0.031 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 110' ' ' SER . . . . . 0.411 ' O ' ' HA ' ' A' ' 30' ' ' LYS . 0.4 OUTLIER -136.71 159.18 42.61 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.56 1.163 . . . . 0.0 109.976 -179.923 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 111' ' ' TRP . . . . . 0.558 ' CZ2' ' HD2' ' A' ' 30' ' ' LYS . 62.3 m95 -133.28 140.27 47.37 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 108.002 -1.11 . . . . 0.0 108.002 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 112' ' ' ALA . . . . . 0.785 ' O ' HD12 ' A' ' 28' ' ' LEU . . . -130.33 128.96 42.55 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.489 1.118 . . . . 0.0 109.254 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 113' ' ' LEU . . . . . 0.483 ' O ' HD13 ' A' ' 114' ' ' ILE . 36.5 tp -108.64 133.05 53.28 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.534 1.146 . . . . 0.0 109.295 -179.932 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 114' ' ' ILE . . . . . 0.483 HD13 ' O ' ' A' ' 113' ' ' LEU . 43.8 mm -121.16 117.31 52.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.362 1.038 . . . . 0.0 109.358 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -42.48 165.96 0.02 OUTLIER Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.452 1.095 . . . . 0.0 110.996 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -68.95 -15.37 63.47 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.487 0.757 . . . . 0.0 109.256 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -89.03 -19.89 25.08 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.463 1.102 . . . . 0.0 109.357 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 118' ' ' GLY . . . . . 0.466 ' CA ' ' HG3' ' A' ' 3' ' ' PRO . . . 102.81 24.22 8.26 Favored Glycine 0 CA--C 1.529 0.942 0 O-C-N 124.545 1.153 . . . . 0.0 110.98 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 6.4 p-10 -112.75 135.94 52.91 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.518 0.775 . . . . 0.0 109.278 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 62.8 t -41.11 113.93 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.469 1.106 . . . . 0.0 109.365 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -88.52 -58.99 2.35 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.527 1.142 . . . . 0.0 110.266 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -157.62 136.11 11.23 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.491 1.12 . . . . 0.0 110.327 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 123' ' ' ILE . . . . . . . . . . . . . 13.0 tt -109.27 123.78 65.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.524 1.14 . . . . 0.0 109.272 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 24.9 t -114.71 137.47 48.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.506 1.129 . . . . 0.0 109.256 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 2.5 mtmp? -120.3 115.54 23.76 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.428 1.08 . . . . 0.0 109.307 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . 131.64 -156.73 22.03 Favored Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.619 1.2 . . . . 0.0 111.028 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 5.0 m -115.51 136.91 52.6 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.513 0.773 . . . . 0.0 109.943 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 128' ' ' ILE . . . . . . . . . . . . . 13.3 pt -117.81 166.68 11.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.492 1.12 . . . . 0.0 109.32 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 129' ' ' ASN . . . . . 0.717 ' ND2' ' HB3' ' A' ' 131' ' ' ALA . 1.7 p-10 -106.55 168.53 9.11 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.481 1.113 . . . . 0.0 109.246 -179.913 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -53.75 -42.31 68.07 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.547 1.154 . . . . 0.0 110.385 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 131' ' ' ALA . . . . . 0.717 ' HB3' ' ND2' ' A' ' 129' ' ' ASN . . . -57.27 -51.74 68.16 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.491 1.12 . . . . 0.0 109.306 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 9.9 mt-30 -50.91 -45.4 60.32 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.471 1.107 . . . . 0.0 110.337 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 133' ' ' ALA . . . . . 0.454 ' CB ' ' CZ ' ' A' ' 55' ' ' PHE . . . -52.36 -45.04 65.56 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.413 1.07 . . . . 0.0 109.254 179.944 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 38.9 mt -57.12 -51.2 70.25 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.527 1.142 . . . . 0.0 109.34 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -66.28 -25.53 66.91 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.506 1.129 . . . . 0.0 109.263 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 16.2 tp -73.75 -39.29 64.34 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.456 1.097 . . . . 0.0 109.265 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 137' ' ' ILE . . . . . . . . . . . . . 6.8 mt -81.07 -23.2 10.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 O-C-N 124.502 1.126 . . . . 0.0 109.327 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -73.88 -47.57 37.19 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.471 1.107 . . . . 0.0 110.316 179.94 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -174.8 136.85 0.57 Allowed Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.54 1.15 . . . . 0.0 109.296 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 -15.99 20.56 Favored 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.41 1.742 . . . . 0.0 111.035 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 141' ' ' ASN . . . . . . . . . . . . . 82.2 m-20 -75.63 -17.83 59.87 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.422 1.076 . . . . 0.0 109.351 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -45.42 99.4 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.45 1.094 . . . . 0.0 109.309 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 143' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -68.56 102.69 1.52 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.517 1.135 . . . . 0.0 109.297 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 2.6 pp . . . . . 0 C--N 1.326 -0.451 0 O-C-N 124.516 1.135 . . . . 0.0 109.302 179.993 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.9 ptt? . . . . . 0 N--CA 1.452 -0.362 0 CA-C-O 120.543 0.211 . . . . 0.0 110.992 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' VAL . . . . . 0.433 ' O ' HG23 ' A' ' 2' ' ' VAL . 16.3 m -125.92 80.11 67.87 Favored Pre-proline 0 C--N 1.326 -0.423 0 O-C-N 124.43 1.081 . . . . 0.0 109.217 -179.945 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.0 -24.11 13.13 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.409 1.741 . . . . 0.0 110.971 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -68.72 -46.7 68.26 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.471 1.107 . . . . 0.0 109.591 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.675 ' O ' HD23 ' A' ' 9' ' ' LEU . 64.5 p -63.06 -52.44 62.75 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.538 1.149 . . . . 0.0 110.352 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 32.8 tp -56.94 -46.24 82.2 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.529 1.143 . . . . 0.0 109.271 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 77.9 p -69.6 -22.87 63.47 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.545 1.153 . . . . 0.0 109.968 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 2.0 m -84.52 -26.07 28.35 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.533 1.146 . . . . 0.0 110.439 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.675 HD23 ' O ' ' A' ' 5' ' ' THR . 3.2 mm? -52.2 158.1 1.22 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.468 1.105 . . . . 0.0 109.301 179.945 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.408 ' HA ' ' O ' ' A' ' 15' ' ' ARG . 17.8 mttt -127.25 156.43 41.91 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.475 1.11 . . . . 0.0 109.274 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 11' ' ' THR . . . . . 0.416 ' HA ' ' O ' ' A' ' 91' ' ' VAL . 6.6 p -87.19 176.46 7.56 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.407 1.067 . . . . 0.0 110.474 179.927 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -71.86 -12.04 61.09 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.589 1.181 . . . . 0.0 109.345 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 4.0 p-10 -101.14 27.1 6.38 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.536 1.147 . . . . 0.0 109.29 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 46.38 62.82 2.12 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.48 1.113 . . . . 0.0 109.307 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 15' ' ' ARG . . . . . 0.408 ' O ' ' HA ' ' A' ' 10' ' ' LYS . 0.1 OUTLIER -136.0 149.82 69.56 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.555 1.159 . . . . 0.0 110.248 179.973 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.01 120.96 6.28 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.47 1.774 . . . . 0.0 110.992 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -63.72 -23.2 67.27 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.474 1.109 . . . . 0.0 109.255 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 12.2 p -64.12 -26.34 68.49 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.561 1.163 . . . . 0.0 110.062 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -58.32 -38.56 69.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.545 1.153 . . . . 0.0 109.323 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 18.1 m-85 -85.71 3.91 38.99 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.457 1.098 . . . . 0.0 110.971 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.481 HD21 HG21 ' A' ' 27' ' ' THR . 0.1 OUTLIER -115.88 114.32 24.55 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.46 1.1 . . . . 0.0 109.319 179.941 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 22' ' ' LYS . . . . . 0.463 ' CG ' ' O ' ' A' ' 21' ' ' LEU . 0.1 OUTLIER 169.3 -176.79 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.494 1.121 . . . . 0.0 109.284 -179.987 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.421 ' O ' ' C ' ' A' ' 24' ' ' ASP . 0.2 OUTLIER 65.56 23.71 11.76 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.386 1.053 . . . . 0.0 109.281 179.968 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 24' ' ' ASP . . . . . 0.421 ' C ' ' O ' ' A' ' 23' ' ' LYS . 15.0 m-20 39.18 40.05 0.47 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.563 1.165 . . . . 0.0 109.294 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 8.1 mttp -101.8 162.55 20.04 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.568 1.167 . . . . 0.0 109.287 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.07 156.56 42.71 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.442 1.759 . . . . 0.0 110.992 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' THR . . . . . 0.583 HG23 ' HB2' ' A' ' 59' ' ' ASN . 33.8 m -130.22 141.81 50.61 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.608 1.193 . . . . 0.0 110.464 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.534 HD21 ' CE3' ' A' ' 111' ' ' TRP . 12.0 tp -126.28 130.51 51.01 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.582 1.176 . . . . 0.0 109.259 -179.908 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.77 ' HB ' ' HB3' ' A' ' 112' ' ' ALA . 5.4 mp -110.27 149.65 13.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.482 1.114 . . . . 0.0 109.249 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.533 ' HB2' ' CE3' ' A' ' 111' ' ' TRP . 0.7 OUTLIER -138.61 119.2 13.95 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.518 1.136 . . . . 0.0 109.326 179.98 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 31' ' ' PHE . . . . . 0.581 ' HB3' ' CE1' ' A' ' 108' ' ' TYR . 25.6 m-85 -91.45 131.31 37.0 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.507 1.129 . . . . 0.0 110.967 -179.937 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 32' ' ' TRP . . . . . 0.63 ' CE3' HD21 ' A' ' 43' ' ' LEU . 8.7 p-90 -134.77 167.61 20.55 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.518 1.136 . . . . 0.0 107.981 179.933 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 33' ' ' ALA . . . . . 0.601 ' HB1' ' CE2' ' A' ' 35' ' ' TRP . . . -131.84 133.1 44.29 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.432 1.083 . . . . 0.0 109.277 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 28.0 t -59.56 -17.64 34.32 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.452 1.095 . . . . 0.0 110.062 179.929 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' TRP . . . . . 0.601 ' CE2' ' HB1' ' A' ' 33' ' ' ALA . 16.9 p-90 -92.29 -15.64 27.14 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.519 1.137 . . . . 0.0 108.022 179.919 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 36' ' ' CYS . . . . . 0.447 ' HB2' ' HB3' ' A' ' 33' ' ' ALA . 42.0 t -77.45 115.27 48.01 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.508 1.13 . . . . 0.0 108.245 -179.929 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 37' ' ' PRO . . . . . 0.454 ' HA ' HD12 ' A' ' 40' ' ' LEU . 18.2 Cg_endo -74.95 -33.72 4.44 Favored 'Trans proline' 0 C--N 1.359 1.097 0 O-C-N 124.505 1.792 . . . . 0.0 110.994 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.456 ' O ' HD22 ' A' ' 38' ' ' LEU . 1.6 tm? -65.66 -31.23 72.14 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.483 1.114 . . . . 0.0 109.352 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 39' ' ' CYS . . . . . 0.449 ' O ' ' N ' ' A' ' 43' ' ' LEU . 52.2 m -78.03 -42.95 30.78 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.53 1.144 . . . . 0.0 108.354 179.884 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.454 HD12 ' HA ' ' A' ' 37' ' ' PRO . 2.3 mt -51.27 -41.86 60.7 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.569 1.168 . . . . 0.0 109.304 179.929 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 83.8 p -75.36 -25.28 57.6 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.449 1.093 . . . . 0.0 110.042 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' GLU . . . . . 0.419 ' O ' ' N ' ' A' ' 46' ' ' THR . 1.8 tp10 -87.56 -10.9 50.31 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.54 1.15 . . . . 0.0 110.27 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.63 HD21 ' CE3' ' A' ' 32' ' ' TRP . 26.1 mt -53.84 -49.98 67.23 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.539 1.149 . . . . 0.0 109.291 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -67.96 -43.83 80.82 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.405 1.066 . . . . 0.0 110.979 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 45' ' ' GLN . . . . . 0.46 ' CG ' ' CE2' ' A' ' 49' ' ' TRP . 0.1 OUTLIER -64.06 -30.8 71.84 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.575 0.809 . . . . 0.0 110.27 -179.96 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 46' ' ' THR . . . . . 0.419 ' N ' ' O ' ' A' ' 42' ' ' GLU . 89.5 m -74.47 -39.22 62.63 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.472 1.108 . . . . 0.0 110.468 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 34.6 tt0 -69.0 -31.12 69.72 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.565 1.165 . . . . 0.0 110.357 179.904 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.413 ' O ' ' HG3' ' A' ' 51' ' ' GLN . 7.4 tptm -78.32 -54.44 6.2 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.506 1.129 . . . . 0.0 109.373 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 49' ' ' TRP . . . . . 0.522 ' CE2' ' HB2' ' A' ' 130' ' ' GLU . 47.9 m0 -56.75 -26.37 57.19 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 108.027 -1.101 . . . . 0.0 108.027 179.929 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -74.81 -10.6 59.67 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.622 1.201 . . . . 0.0 109.273 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 51' ' ' GLN . . . . . 0.413 ' HG3' ' O ' ' A' ' 48' ' ' LYS . 0.3 OUTLIER -109.95 -8.86 14.8 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.433 1.083 . . . . 0.0 110.267 -179.96 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 52' ' ' ASP . . . . . 0.43 ' OD1' ' N ' ' A' ' 54' ' ' LYS . 3.7 t0 -61.44 127.94 33.89 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.475 1.109 . . . . 0.0 109.311 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -55.38 -49.61 71.85 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.447 1.092 . . . . 0.0 109.311 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 54' ' ' LYS . . . . . 0.54 ' O ' HD13 ' A' ' 137' ' ' ILE . 14.3 mmtt -48.92 -37.82 20.99 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.545 1.153 . . . . 0.0 109.301 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 55' ' ' PHE . . . . . 0.834 ' CE1' HD12 ' A' ' 60' ' ' LEU . 0.1 OUTLIER -76.91 -27.79 55.05 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.482 1.114 . . . . 0.0 110.96 -179.986 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 9.3 t -46.54 -31.16 2.6 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.468 1.105 . . . . 0.0 110.006 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 1.4 m -45.9 -53.23 10.18 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.469 1.106 . . . . 0.0 110.022 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -111.02 165.61 11.74 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.47 1.106 . . . . 0.0 109.341 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 59' ' ' ASN . . . . . 0.583 ' HB2' HG23 ' A' ' 27' ' ' THR . 3.9 m-20 -89.18 125.21 34.97 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.494 1.121 . . . . 0.0 109.221 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.834 HD12 ' CE1' ' A' ' 55' ' ' PHE . 3.2 tt -115.69 127.11 54.91 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.503 1.127 . . . . 0.0 109.301 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.744 ' N ' HD23 ' A' ' 60' ' ' LEU . 0.2 OUTLIER -149.88 160.81 4.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.498 1.124 . . . . 0.0 109.3 -179.967 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 62' ' ' THR . . . . . 0.518 ' HB ' ' CD1' ' A' ' 32' ' ' TRP . 61.6 p -112.11 152.31 28.42 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.529 1.143 . . . . 0.0 110.348 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 63' ' ' VAL . . . . . 0.425 HG23 HG23 ' A' ' 29' ' ' ILE . 2.3 t -123.63 142.29 40.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.461 1.101 . . . . 0.0 109.26 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 64' ' ' ALA . . . . . 0.443 ' HB3' HG22 ' A' ' 93' ' ' THR . . . -134.45 140.06 45.97 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.565 1.166 . . . . 0.0 109.351 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 65' ' ' SER . . . . . 0.445 ' CB ' ' HB3' ' A' ' 68' ' ' PHE . 15.8 m -112.37 107.66 55.21 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.562 1.164 . . . . 0.0 109.961 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 66' ' ' PRO . . . . . 0.423 ' HB2' ' N ' ' A' ' 74' ' ' ASP . 18.3 Cg_endo -75.01 137.96 22.38 Favored 'Trans proline' 0 C--N 1.359 1.11 0 O-C-N 124.646 1.866 . . . . 0.0 110.993 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 66.76 8.21 46.39 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.59 1.181 . . . . 0.0 110.991 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 68' ' ' PHE . . . . . 0.647 ' CD2' HD13 ' A' ' 69' ' ' LEU . 8.6 t80 -121.08 138.72 54.05 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.528 0.781 . . . . 0.0 110.958 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.677 HD22 ' CE2' ' A' ' 108' ' ' TYR . 8.7 mp 68.56 20.11 8.48 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.529 1.143 . . . . 0.0 109.285 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER 70.28 37.54 1.58 Allowed 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.563 1.164 . . . . 0.0 109.514 179.902 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 71' ' ' GLU . . . . . 0.43 ' HA ' ' OE2' ' A' ' 71' ' ' GLU . 0.2 OUTLIER -103.85 149.89 24.64 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.429 1.081 . . . . 0.0 110.298 179.991 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 72' ' ' LYS . . . . . 0.419 ' C ' ' O ' ' A' ' 71' ' ' GLU . 3.3 mmtm -39.24 135.94 0.94 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.456 1.097 . . . . 0.0 109.337 179.889 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -63.79 166.26 7.42 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.51 1.132 . . . . 0.0 109.346 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 74' ' ' ASP . . . . . 0.423 ' N ' ' HB2' ' A' ' 66' ' ' PRO . 4.8 t70 -66.67 147.25 53.53 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.483 1.115 . . . . 0.0 109.326 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 88.83 -48.91 3.55 Favored Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.583 1.177 . . . . 0.0 111.015 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -76.01 -32.65 59.5 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.461 0.742 . . . . 0.0 109.29 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 57.6 t80 -72.05 -53.36 13.11 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.51 1.131 . . . . 0.0 111.082 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 16.6 pt20 -55.13 -32.99 62.51 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.477 1.111 . . . . 0.0 110.306 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.87 -39.3 72.96 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.5 1.125 . . . . 0.0 109.294 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 80' ' ' TRP . . . . . 0.594 ' CE2' HD11 ' A' ' 84' ' ' LEU . 39.7 t90 -58.72 -49.89 75.93 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.593 1.183 . . . . 0.0 107.997 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 3.3 t80 -66.31 -27.78 68.17 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.471 1.107 . . . . 0.0 110.937 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -77.85 0.21 24.82 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 0.0 109.32 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 83' ' ' GLY . . . . . 0.414 ' C ' HD23 ' A' ' 84' ' ' LEU . . . -117.33 6.39 16.87 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.412 1.07 . . . . 0.0 110.965 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.594 HD11 ' CE2' ' A' ' 80' ' ' TRP . 0.1 OUTLIER -159.56 174.44 14.61 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.501 0.765 . . . . 0.0 109.335 179.972 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER 60.47 168.08 0.08 Allowed 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.49 1.119 . . . . 0.0 109.298 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 86' ' ' TYR . . . . . 0.42 ' C ' ' H ' ' A' ' 88' ' ' LYS . 0.1 OUTLIER -99.46 143.62 26.77 Favored Pre-proline 0 C--N 1.326 -0.434 0 O-C-N 124.461 1.101 . . . . 0.0 110.961 -179.994 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 17.9 Cg_endo -75.06 44.9 1.26 Allowed 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.606 1.845 . . . . 0.0 110.946 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 88' ' ' LYS . . . . . 0.42 ' H ' ' C ' ' A' ' 86' ' ' TYR . 0.0 OUTLIER -127.77 0.96 6.07 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.596 1.185 . . . . 0.0 109.296 -179.999 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 0.403 ' HA ' ' HD3' ' A' ' 90' ' ' PRO . 0.1 OUTLIER -105.6 137.27 19.26 Favored Pre-proline 0 C--N 1.324 -0.525 0 O-C-N 124.573 1.171 . . . . 0.0 109.309 179.977 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 90' ' ' PRO . . . . . 0.448 ' CB ' HG22 ' A' ' 61' ' ' ILE . 18.5 Cg_endo -74.94 127.32 10.64 Favored 'Trans proline' 0 C--N 1.359 1.115 0 O-C-N 124.501 1.79 . . . . 0.0 111.088 179.853 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 91' ' ' VAL . . . . . 0.416 ' O ' ' HA ' ' A' ' 11' ' ' THR . 88.8 t -142.73 118.13 5.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.477 1.111 . . . . 0.0 109.389 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 43.4 t -109.65 136.92 44.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.477 1.111 . . . . 0.0 109.347 -179.906 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 93' ' ' THR . . . . . 0.443 HG22 ' HB3' ' A' ' 64' ' ' ALA . 2.3 p -124.78 118.59 26.74 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.42 1.075 . . . . 0.0 110.377 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 94' ' ' ASP . . . . . 0.42 ' OD2' HD12 ' A' ' 99' ' ' ILE . 56.2 t0 -114.71 112.1 22.32 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.575 1.172 . . . . 0.0 109.275 -179.903 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -54.77 115.21 2.04 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.477 1.11 . . . . 0.0 109.282 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 88.23 -22.11 21.07 Favored Glycine 0 CA--C 1.529 0.921 0 O-C-N 124.498 1.124 . . . . 0.0 111.031 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 73.19 61.72 3.35 Favored Glycine 0 CA--C 1.531 1.034 0 N-CA-C 110.916 -0.874 . . . . 0.0 110.916 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 98' ' ' THR . . . . . 0.514 ' O ' ' CB ' ' A' ' 102' ' ' SER . 1.4 m -58.19 -37.53 74.93 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.526 0.78 . . . . 0.0 110.373 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 99' ' ' ILE . . . . . 0.539 ' O ' HD12 ' A' ' 103' ' ' LEU . 2.4 mt -72.9 -30.26 31.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.593 1.183 . . . . 0.0 109.343 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -76.62 -49.26 16.7 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.43 1.082 . . . . 0.0 109.295 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 5.6 pt20 -70.31 -29.06 65.69 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.475 1.109 . . . . 0.0 110.276 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 102' ' ' SER . . . . . 0.514 ' CB ' ' O ' ' A' ' 98' ' ' THR . 12.6 t -67.81 -34.61 77.09 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.599 1.187 . . . . 0.0 110.104 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 103' ' ' LEU . . . . . 0.539 HD12 ' O ' ' A' ' 99' ' ' ILE . 2.6 mt -107.7 9.9 29.04 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.501 1.125 . . . . 0.0 109.314 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 15.9 t-20 50.28 68.57 0.74 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.4 1.062 . . . . 0.0 109.258 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 105' ' ' ILE . . . . . 0.614 HD11 HD11 ' A' ' 123' ' ' ILE . 48.9 mt -112.49 106.44 20.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.446 1.091 . . . . 0.0 109.311 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 106' ' ' SER . . . . . 0.571 ' HA ' HD21 ' A' ' 69' ' ' LEU . 11.5 p -131.17 34.16 4.05 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.554 1.159 . . . . 0.0 110.062 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 2.4 p -145.83 132.91 14.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.428 1.08 . . . . 0.0 109.325 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 108' ' ' TYR . . . . . 0.677 ' CE2' HD22 ' A' ' 69' ' ' LEU . 21.9 m-30 -130.52 152.67 80.76 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.552 1.158 . . . . 0.0 110.957 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 109' ' ' PRO . . . . . 0.535 ' C ' ' HA ' ' A' ' 108' ' ' TYR . 18.2 Cg_endo -75.05 166.89 82.05 Favored 'Cis proline' 0 C--N 1.361 1.22 0 C-N-CA 121.04 -2.483 . . . . 0.0 111.02 0.015 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 1.4 m -145.51 155.79 43.31 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.483 1.114 . . . . 0.0 109.984 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 111' ' ' TRP . . . . . 0.534 ' CE3' HD21 ' A' ' 28' ' ' LEU . 88.6 m95 -129.28 142.1 50.93 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 107.991 -1.114 . . . . 0.0 107.991 -179.949 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 112' ' ' ALA . . . . . 0.77 ' HB3' ' HB ' ' A' ' 29' ' ' ILE . . . -127.29 138.58 53.09 Favored 'General case' 0 C--N 1.323 -0.557 0 O-C-N 124.592 1.182 . . . . 0.0 109.355 179.909 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 22.3 tp -109.1 127.61 54.29 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.527 1.142 . . . . 0.0 109.3 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 114' ' ' ILE . . . . . 0.595 HD13 ' HA ' ' A' ' 120' ' ' VAL . 43.1 mm -119.78 115.76 48.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 O-C-N 124.555 1.16 . . . . 0.0 109.285 -179.956 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -43.54 167.49 0.02 OUTLIER Glycine 0 CA--C 1.529 0.946 0 O-C-N 124.445 1.091 . . . . 0.0 111.037 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 6.8 pttt -69.43 -13.64 62.47 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.487 0.757 . . . . 0.0 109.295 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -87.3 -21.65 25.62 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.547 1.154 . . . . 0.0 109.322 179.946 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . 103.2 25.02 7.63 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.508 1.13 . . . . 0.0 111.087 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 4.7 p-10 -112.21 152.61 28.19 Favored 'General case' 0 C--N 1.327 -0.394 0 O-C-N 124.492 0.76 . . . . 0.0 109.272 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 120' ' ' VAL . . . . . 0.595 ' HA ' HD13 ' A' ' 114' ' ' ILE . 55.9 t -58.13 113.18 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.554 1.159 . . . . 0.0 109.299 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 3.2 mt-30 -86.49 -57.6 2.94 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.446 1.091 . . . . 0.0 110.341 179.931 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 122' ' ' ARG . . . . . 0.415 ' HB2' HD21 ' A' ' 144' ' ' LEU . 2.1 ttt180 -158.22 158.16 33.98 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.537 1.148 . . . . 0.0 110.187 -179.935 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 123' ' ' ILE . . . . . 0.614 HD11 HD11 ' A' ' 105' ' ' ILE . 1.0 OUTLIER -115.01 135.38 55.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.491 1.119 . . . . 0.0 109.302 179.914 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 62.7 t -129.69 131.66 66.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.516 1.135 . . . . 0.0 109.368 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 14.9 ptmt -114.19 135.43 54.06 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.642 1.213 . . . . 0.0 109.226 -179.923 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . 123.55 -134.14 9.23 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.493 1.121 . . . . 0.0 110.948 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -152.84 153.78 33.79 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.458 0.74 . . . . 0.0 109.951 -179.93 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 128' ' ' ILE . . . . . . . . . . . . . 5.3 pt -129.63 163.52 34.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.602 1.189 . . . . 0.0 109.317 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 129' ' ' ASN . . . . . . . . . . . . . 3.1 p30 -108.58 167.97 9.66 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.573 1.171 . . . . 0.0 109.242 -179.942 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 130' ' ' GLU . . . . . 0.522 ' HB2' ' CE2' ' A' ' 49' ' ' TRP . 16.5 tt0 -50.7 -38.19 45.63 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.572 1.17 . . . . 0.0 110.279 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -57.73 -51.86 67.84 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.505 1.128 . . . . 0.0 109.293 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -51.82 -45.44 63.93 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.507 1.129 . . . . 0.0 110.275 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 133' ' ' ALA . . . . . 0.44 ' HB1' ' CZ ' ' A' ' 55' ' ' PHE . . . -64.59 -35.79 82.13 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.597 1.186 . . . . 0.0 109.291 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 2.8 mt -71.38 -52.63 17.59 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.415 1.072 . . . . 0.0 109.319 179.933 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -53.38 -21.58 6.08 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.473 1.108 . . . . 0.0 109.333 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 136' ' ' LEU . . . . . 0.697 HD11 ' OD1' ' A' ' 143' ' ' ASP . 0.3 OUTLIER -76.65 -41.89 44.06 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.445 1.091 . . . . 0.0 109.305 -179.976 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 137' ' ' ILE . . . . . 0.54 HD13 ' O ' ' A' ' 54' ' ' LYS . 1.4 mt -81.83 -30.15 10.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 O-C-N 124.497 1.123 . . . . 0.0 109.307 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.46 -47.86 18.61 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.535 1.147 . . . . 0.0 110.276 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 139' ' ' ASP . . . . . 0.442 ' HB3' ' CB ' ' A' ' 142' ' ' ALA . 13.4 t0 -91.7 115.63 64.9 Favored Pre-proline 0 C--N 1.324 -0.525 0 O-C-N 124.54 1.15 . . . . 0.0 109.393 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -74.98 -12.97 21.58 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.555 1.819 . . . . 0.0 110.997 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 141' ' ' ASN . . . . . . . . . . . . . 71.2 m-80 -91.66 -15.62 28.22 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.405 1.065 . . . . 0.0 109.261 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 142' ' ' ALA . . . . . 0.442 ' CB ' ' HB3' ' A' ' 139' ' ' ASP . . . -84.49 62.56 7.34 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.542 1.151 . . . . 0.0 109.35 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 143' ' ' ASP . . . . . 0.697 ' OD1' HD11 ' A' ' 136' ' ' LEU . 0.6 OUTLIER 174.91 160.32 0.2 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.536 1.147 . . . . 0.0 109.315 -179.974 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 144' ' ' LEU . . . . . 0.415 HD21 ' HB2' ' A' ' 122' ' ' ARG . 0.6 OUTLIER . . . . . 0 C--N 1.324 -0.51 0 O-C-N 124.496 1.122 . . . . 0.0 109.276 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.455 ' C ' ' CG2' ' A' ' 2' ' ' VAL . 3.4 mtt . . . . . 0 N--CA 1.452 -0.345 0 CA-C-O 120.498 0.19 . . . . 0.0 111.072 . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 2' ' ' VAL . . . . . 0.455 ' CG2' ' C ' ' A' ' 1' ' ' MET . 2.0 t -151.94 64.13 5.61 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.527 1.142 . . . . 0.0 109.293 -179.945 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 3' ' ' PRO . . . . . 0.413 ' HD3' ' N ' ' A' ' 2' ' ' VAL . 18.2 Cg_endo -75.0 -29.58 8.07 Favored 'Trans proline' 0 C--N 1.358 1.064 0 O-C-N 124.527 1.804 . . . . 0.0 111.019 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 4' ' ' HIS . . . . . 0.453 ' O ' ' CB ' ' A' ' 8' ' ' THR . 38.2 t-80 -59.28 -59.03 6.11 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.434 1.084 . . . . 0.0 109.562 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.534 ' O ' HD23 ' A' ' 9' ' ' LEU . 21.3 m -57.31 -53.18 61.07 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.465 1.103 . . . . 0.0 110.403 -179.95 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 1.053 HD11 HD13 ' A' ' 21' ' ' LEU . 2.9 tm? -56.17 -59.14 5.36 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.521 1.138 . . . . 0.0 109.313 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 7' ' ' SER . . . . . 0.405 ' CB ' ' O ' ' A' ' 3' ' ' PRO . 39.3 p -57.93 -23.85 55.28 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.4 1.062 . . . . 0.0 110.027 179.943 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 8' ' ' THR . . . . . 0.453 ' CB ' ' O ' ' A' ' 4' ' ' HIS . 1.7 m -79.91 -15.29 57.63 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.591 1.182 . . . . 0.0 110.346 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.645 HD11 ' CB ' ' A' ' 94' ' ' ASP . 3.3 mm? -82.88 115.35 21.72 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.391 1.057 . . . . 0.0 109.206 -179.903 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 3.7 mmmt -101.14 149.89 23.51 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.564 1.165 . . . . 0.0 109.329 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' THR . . . . . 0.472 ' HG1' ' HB2' ' A' ' 15' ' ' ARG . 33.4 p -80.85 172.53 13.63 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.541 1.151 . . . . 0.0 110.412 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -70.73 -6.61 38.72 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.467 1.104 . . . . 0.0 109.276 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -99.56 16.55 22.98 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.479 1.112 . . . . 0.0 109.311 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER 56.76 40.74 28.93 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.494 1.121 . . . . 0.0 109.284 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 15' ' ' ARG . . . . . 0.472 ' HB2' ' HG1' ' A' ' 11' ' ' THR . 12.2 mmt180 -120.23 151.9 53.93 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.485 1.116 . . . . 0.0 110.301 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 16' ' ' PRO . . . . . 0.509 ' HG2' HG23 ' A' ' 19' ' ' VAL . 18.3 Cg_endo -75.07 121.7 6.71 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.473 1.776 . . . . 0.0 110.95 -179.942 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.42 ' HB2' ' O ' ' A' ' 9' ' ' LEU . . . -53.44 -27.94 27.46 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.509 1.13 . . . . 0.0 109.276 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -55.43 -18.76 7.55 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.551 1.157 . . . . 0.0 110.015 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.509 HG23 ' HG2' ' A' ' 16' ' ' PRO . 40.8 t -69.6 -25.01 27.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.533 1.145 . . . . 0.0 109.183 -179.903 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 9.9 m-85 -109.9 23.71 14.01 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.492 1.12 . . . . 0.0 110.919 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 1.053 HD13 HD11 ' A' ' 6' ' ' LEU . 0.2 OUTLIER -142.78 119.78 11.35 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.517 1.136 . . . . 0.0 109.339 179.948 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 22' ' ' LYS . . . . . 0.495 ' CG ' ' O ' ' A' ' 21' ' ' LEU . 0.0 OUTLIER 163.95 -172.42 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.402 1.064 . . . . 0.0 109.355 -179.945 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.406 ' O ' ' C ' ' A' ' 24' ' ' ASP . 0.0 OUTLIER 65.63 27.26 11.45 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.545 1.153 . . . . 0.0 109.297 -179.985 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 24' ' ' ASP . . . . . 0.406 ' C ' ' O ' ' A' ' 23' ' ' LYS . 23.7 m-20 40.16 39.23 0.61 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.431 1.082 . . . . 0.0 109.293 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.415 ' CE ' ' O ' ' A' ' 57' ' ' SER . 6.4 mttp -103.57 162.25 20.58 Favored Pre-proline 0 C--N 1.323 -0.555 0 O-C-N 124.539 1.149 . . . . 0.0 109.343 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.7 Cg_endo -74.97 146.58 32.94 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.464 1.771 . . . . 0.0 111.057 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' THR . . . . . 0.621 HG23 ' HB2' ' A' ' 59' ' ' ASN . 3.4 m -120.97 133.26 55.27 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.564 1.165 . . . . 0.0 110.434 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.747 HD21 ' CE3' ' A' ' 111' ' ' TRP . 8.6 tt -110.98 142.92 42.47 Favored 'General case' 0 C--N 1.323 -0.565 0 O-C-N 124.455 1.097 . . . . 0.0 109.337 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.514 ' HB ' ' HB3' ' A' ' 112' ' ' ALA . 4.0 mm -118.39 147.44 21.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.504 1.127 . . . . 0.0 109.27 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.524 ' HG3' ' CD2' ' A' ' 111' ' ' TRP . 0.0 OUTLIER -138.87 113.35 8.93 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.5 1.125 . . . . 0.0 109.365 -179.971 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 31' ' ' PHE . . . . . 0.564 ' HB3' ' CE1' ' A' ' 108' ' ' TYR . 35.7 m-85 -90.18 126.44 35.81 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.444 1.09 . . . . 0.0 110.956 -179.933 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 32' ' ' TRP . . . . . 0.857 ' CZ3' HD11 ' A' ' 43' ' ' LEU . 5.7 p-90 -132.42 166.6 21.63 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.577 1.173 . . . . 0.0 108.022 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -133.73 156.02 48.7 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.421 1.076 . . . . 0.0 109.302 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' SER . . . . . 0.55 ' OG ' ' CH2' ' A' ' 80' ' ' TRP . 6.3 t -78.68 -24.79 44.87 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.5 1.125 . . . . 0.0 110.027 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 20.1 p-90 -81.31 -6.86 59.35 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.474 1.109 . . . . 0.0 108.016 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 48.3 t -97.45 110.6 55.42 Favored Pre-proline 0 C--N 1.326 -0.428 0 O-C-N 124.458 1.099 . . . . 0.0 108.307 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.09 -37.46 1.98 Allowed 'Trans proline' 0 C--N 1.359 1.094 0 O-C-N 124.534 1.808 . . . . 0.0 110.996 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.492 HD23 ' O ' ' A' ' 38' ' ' LEU . 1.7 tt -62.41 -27.99 69.47 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 0.0 109.267 179.926 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 19.5 m -78.44 -50.13 12.22 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.527 1.142 . . . . 0.0 108.293 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.622 ' HA ' HD12 ' A' ' 43' ' ' LEU . 13.2 mt -51.81 -46.89 64.45 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.471 1.107 . . . . 0.0 109.189 -179.895 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 10.5 p -69.34 -25.4 64.18 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.595 1.184 . . . . 0.0 109.974 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -80.8 -24.96 38.17 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.434 1.084 . . . . 0.0 110.302 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.857 HD11 ' CZ3' ' A' ' 32' ' ' TRP . 78.7 mt -49.2 -52.79 24.67 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.555 1.159 . . . . 0.0 109.28 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -52.6 -49.22 53.73 Favored Glycine 0 CA--C 1.529 0.915 0 O-C-N 124.53 1.143 . . . . 0.0 111.007 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' GLN . . . . . 0.492 ' HG2' ' CZ2' ' A' ' 49' ' ' TRP . 1.2 tt0 -63.84 -36.42 83.86 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.429 0.723 . . . . 0.0 110.258 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 8.3 m -67.72 -30.18 69.61 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.415 1.072 . . . . 0.0 110.397 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 47' ' ' GLU . . . . . 0.401 ' OE2' ' C ' ' A' ' 88' ' ' LYS . 22.2 tt0 -67.42 -36.93 82.23 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.377 1.048 . . . . 0.0 110.216 -179.897 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 3.6 tttt -78.51 -30.15 47.01 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.496 1.123 . . . . 0.0 109.227 -179.913 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 49' ' ' TRP . . . . . 0.492 ' CZ2' ' HG2' ' A' ' 45' ' ' GLN . 46.6 m0 -77.47 -30.16 53.04 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.494 1.121 . . . . 0.0 108.03 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -76.59 -15.86 59.73 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.571 1.169 . . . . 0.0 109.273 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -112.53 5.72 18.1 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.553 1.158 . . . . 0.0 110.286 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 52' ' ' ASP . . . . . 0.408 ' O ' ' N ' ' A' ' 56' ' ' SER . 1.4 t0 -75.09 129.12 37.04 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.526 1.141 . . . . 0.0 109.274 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -51.3 -50.71 58.82 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.582 1.176 . . . . 0.0 109.291 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -49.73 -43.41 47.79 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.507 1.129 . . . . 0.0 109.343 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 55' ' ' PHE . . . . . 0.745 ' CZ ' ' HB1' ' A' ' 133' ' ' ALA . 0.1 OUTLIER -77.0 -27.84 54.81 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.515 1.135 . . . . 0.0 111.006 179.981 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 56' ' ' SER . . . . . 0.408 ' N ' ' O ' ' A' ' 52' ' ' ASP . 9.5 t -46.43 -36.94 7.04 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.374 1.047 . . . . 0.0 110.006 179.928 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 57' ' ' SER . . . . . 0.415 ' O ' ' CE ' ' A' ' 25' ' ' LYS . 12.5 t -39.04 -54.4 1.7 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.476 1.11 . . . . 0.0 110.055 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -108.71 165.26 11.68 Favored 'General case' 0 N--CA 1.451 -0.422 0 O-C-N 124.352 1.032 . . . . 0.0 109.329 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 59' ' ' ASN . . . . . 0.621 ' HB2' HG23 ' A' ' 27' ' ' THR . 18.6 m-20 -89.42 122.7 32.87 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.426 1.079 . . . . 0.0 109.39 179.93 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.745 ' C ' HD23 ' A' ' 60' ' ' LEU . 2.8 tt -113.05 133.15 55.11 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.436 1.085 . . . . 0.0 109.301 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.895 HD12 HG21 ' A' ' 92' ' ' VAL . 15.0 pt -151.51 160.66 3.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.526 1.141 . . . . 0.0 109.349 179.943 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 62' ' ' THR . . . . . 0.453 ' O ' ' N ' ' A' ' 92' ' ' VAL . 47.3 p -112.75 147.83 36.03 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.505 1.128 . . . . 0.0 110.374 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 2.2 t -118.17 144.25 26.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.451 1.094 . . . . 0.0 109.337 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 64' ' ' ALA . . . . . 0.488 ' HB3' HG22 ' A' ' 93' ' ' THR . . . -134.38 142.36 47.16 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.402 1.064 . . . . 0.0 109.393 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 65' ' ' SER . . . . . 0.466 ' CB ' ' HB3' ' A' ' 68' ' ' PHE . 19.9 m -119.36 108.62 39.65 Favored Pre-proline 0 C--N 1.324 -0.518 0 O-C-N 124.47 1.106 . . . . 0.0 109.961 -179.939 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 66' ' ' PRO . . . . . 0.457 ' HA ' ' O ' ' A' ' 72' ' ' LYS . 18.4 Cg_endo -75.04 137.12 21.2 Favored 'Trans proline' 0 C--N 1.359 1.111 0 O-C-N 124.559 1.82 . . . . 0.0 110.955 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 68.19 8.53 54.88 Favored Glycine 0 CA--C 1.532 1.127 0 O-C-N 124.489 1.118 . . . . 0.0 110.952 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 68' ' ' PHE . . . . . 0.466 ' HB3' ' CB ' ' A' ' 65' ' ' SER . 52.3 t80 -118.95 132.13 56.06 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.572 0.807 . . . . 0.0 111.017 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.428 HD23 ' CE2' ' A' ' 68' ' ' PHE . 0.6 OUTLIER 69.99 41.98 1.06 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.508 1.13 . . . . 0.0 109.234 179.957 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 51.2 m80 62.35 19.6 11.2 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.435 1.084 . . . . 0.0 109.538 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 29.3 tp10 -82.89 161.35 21.91 Favored 'General case' 0 C--N 1.323 -0.545 0 O-C-N 124.558 1.162 . . . . 0.0 110.32 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 72' ' ' LYS . . . . . 0.457 ' O ' ' HA ' ' A' ' 66' ' ' PRO . 0.0 OUTLIER -61.9 140.56 58.29 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.542 1.151 . . . . 0.0 109.249 -179.967 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 44.7 tttt -64.78 160.79 19.41 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.54 1.15 . . . . 0.0 109.281 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 74' ' ' ASP . . . . . 0.421 ' N ' ' HB2' ' A' ' 66' ' ' PRO . 0.0 OUTLIER -59.85 146.03 43.47 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.507 1.129 . . . . 0.0 109.229 -179.987 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 87.79 -36.12 3.41 Favored Glycine 0 CA--C 1.529 0.917 0 O-C-N 124.533 1.146 . . . . 0.0 111.014 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -76.23 -58.45 3.28 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.462 0.742 . . . . 0.0 109.281 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 8.7 t80 -57.31 -30.23 64.58 Favored 'General case' 0 C--N 1.323 -0.558 0 O-C-N 124.434 1.084 . . . . 0.0 110.952 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 9.2 mt-30 -74.1 -29.93 62.09 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.495 1.122 . . . . 0.0 110.324 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.04 -30.3 39.4 Favored 'General case' 0 C--N 1.323 -0.549 0 O-C-N 124.432 1.082 . . . . 0.0 109.294 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 80' ' ' TRP . . . . . 0.587 ' HH2' HD21 ' A' ' 40' ' ' LEU . 15.2 t90 -70.34 -46.85 63.33 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.54 1.15 . . . . 0.0 108.054 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 81' ' ' TYR . . . . . 0.62 ' OH ' HG21 ' A' ' 91' ' ' VAL . 0.4 OUTLIER -63.74 -29.89 71.05 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.427 1.08 . . . . 0.0 110.933 179.956 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -59.4 -17.37 29.83 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.402 1.064 . . . . 0.0 109.252 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -103.64 -4.14 46.2 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.418 1.074 . . . . 0.0 111.012 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.408 ' O ' ' HA ' ' A' ' 81' ' ' TYR . 2.2 pp -174.52 121.78 0.26 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.545 0.791 . . . . 0.0 109.253 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 85' ' ' ASN . . . . . 0.558 ' HB3' ' CD2' ' A' ' 81' ' ' TYR . 0.3 OUTLIER -170.07 166.93 9.04 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.551 1.157 . . . . 0.0 109.316 179.98 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 86' ' ' TYR . . . . . 0.684 ' HB2' HD23 ' A' ' 89' ' ' LEU . 97.7 m-85 -111.78 111.25 54.22 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.488 1.118 . . . . 0.0 110.979 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 -2.25 12.29 Favored 'Trans proline' 0 C--N 1.361 1.206 0 O-C-N 124.5 1.789 . . . . 0.0 111.05 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 88' ' ' LYS . . . . . 0.401 ' C ' ' OE2' ' A' ' 47' ' ' GLU . 0.8 OUTLIER -113.54 19.68 16.64 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.503 1.127 . . . . 0.0 109.253 179.945 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 0.913 HD12 ' HD2' ' A' ' 90' ' ' PRO . 0.1 OUTLIER -136.97 136.01 20.62 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.421 1.076 . . . . 0.0 109.338 179.969 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 90' ' ' PRO . . . . . 0.913 ' HD2' HD12 ' A' ' 89' ' ' LEU . 18.2 Cg_endo -75.05 126.15 9.75 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.605 1.845 . . . . 0.0 111.003 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 91' ' ' VAL . . . . . 0.62 HG21 ' OH ' ' A' ' 81' ' ' TYR . 38.3 t -135.04 120.73 30.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.489 1.118 . . . . 0.0 109.307 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 92' ' ' VAL . . . . . 0.895 HG21 HD12 ' A' ' 61' ' ' ILE . 11.6 t -117.64 137.08 52.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.518 1.137 . . . . 0.0 109.327 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 93' ' ' THR . . . . . 0.488 HG22 ' HB3' ' A' ' 64' ' ' ALA . 10.9 p -121.11 121.76 38.56 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.483 1.114 . . . . 0.0 110.434 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 94' ' ' ASP . . . . . 0.645 ' CB ' HD11 ' A' ' 9' ' ' LEU . 61.8 t0 -114.92 111.18 20.76 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.438 1.086 . . . . 0.0 109.343 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 14.0 t-20 -60.79 111.93 1.83 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.507 1.129 . . . . 0.0 109.307 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 96' ' ' GLY . . . . . 0.415 ' O ' ' NE2' ' A' ' 101' ' ' GLN . . . 88.82 -23.61 16.28 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.4 1.063 . . . . 0.0 111.042 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 70.32 73.66 0.75 Allowed Glycine 0 CA--C 1.53 1.013 0 N-CA-C 110.966 -0.854 . . . . 0.0 110.966 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 5.2 m -63.5 -48.44 77.61 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.518 0.775 . . . . 0.0 110.44 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 3.9 mt -68.79 -38.91 79.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.497 1.123 . . . . 0.0 109.276 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 100' ' ' ALA . . . . . 0.413 ' O ' ' N ' ' A' ' 105' ' ' ILE . . . -61.92 -47.88 82.95 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.495 1.122 . . . . 0.0 109.284 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 101' ' ' GLN . . . . . 0.415 ' NE2' ' O ' ' A' ' 96' ' ' GLY . 65.7 mt-30 -74.46 -31.52 62.28 Favored 'General case' 0 C--N 1.323 -0.552 0 O-C-N 124.53 1.143 . . . . 0.0 110.328 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 42.4 t -66.74 -29.19 69.1 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.501 1.125 . . . . 0.0 109.998 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 103' ' ' LEU . . . . . 0.574 HD11 HG21 ' A' ' 120' ' ' VAL . 23.6 mt -108.66 8.77 27.14 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.493 1.12 . . . . 0.0 109.338 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 14.6 t-20 50.27 68.31 0.78 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.522 1.139 . . . . 0.0 109.254 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 105' ' ' ILE . . . . . 0.461 ' CD1' ' CZ ' ' A' ' 31' ' ' PHE . 37.7 mt -111.24 100.03 9.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.513 1.133 . . . . 0.0 109.238 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 25.2 p -125.85 34.06 4.96 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.507 1.13 . . . . 0.0 110.031 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 1.5 p -145.3 132.22 15.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.524 1.14 . . . . 0.0 109.317 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 108' ' ' TYR . . . . . 0.564 ' CE1' ' HB3' ' A' ' 31' ' ' PHE . 22.9 m-85 -131.1 152.55 80.85 Favored Pre-proline 0 C--N 1.324 -0.515 0 O-C-N 124.504 1.128 . . . . 0.0 111.033 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 109' ' ' PRO . . . . . 0.524 ' C ' ' HA ' ' A' ' 108' ' ' TYR . 18.1 Cg_endo -75.0 160.37 96.65 Favored 'Cis proline' 0 C--N 1.359 1.126 0 C-N-CA 120.942 -2.524 . . . . 0.0 110.964 0.002 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -134.67 155.79 49.9 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.56 1.163 . . . . 0.0 109.975 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 111' ' ' TRP . . . . . 0.747 ' CE3' HD21 ' A' ' 28' ' ' LEU . 39.1 m95 -134.27 138.75 45.24 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 107.962 -1.125 . . . . 0.0 107.962 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 112' ' ' ALA . . . . . 0.514 ' HB3' ' HB ' ' A' ' 29' ' ' ILE . . . -133.06 137.55 46.45 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.552 1.157 . . . . 0.0 109.324 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 113' ' ' LEU . . . . . 0.577 ' C ' HD12 ' A' ' 114' ' ' ILE . 27.2 tp -109.49 122.83 48.28 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.436 1.085 . . . . 0.0 109.285 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 114' ' ' ILE . . . . . 0.577 HD12 ' C ' ' A' ' 113' ' ' LEU . 1.1 mp -107.78 123.43 63.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.514 1.134 . . . . 0.0 109.277 -179.936 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 115' ' ' GLY . . . . . 0.406 ' N ' ' HB2' ' A' ' 121' ' ' GLN . . . -47.41 171.6 0.04 OUTLIER Glycine 0 CA--C 1.529 0.93 0 O-C-N 124.577 1.173 . . . . 0.0 111.078 179.897 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.64 -15.3 63.17 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.452 0.736 . . . . 0.0 109.293 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -82.26 -19.89 38.67 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.513 1.133 . . . . 0.0 109.272 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 118' ' ' GLY . . . . . 0.42 ' HA2' ' CG2' ' A' ' 114' ' ' ILE . . . 98.76 23.75 11.58 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.463 1.102 . . . . 0.0 110.926 179.945 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 1.2 p-10 -115.99 153.19 32.09 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.435 0.726 . . . . 0.0 109.252 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 120' ' ' VAL . . . . . 0.574 HG21 HD11 ' A' ' 103' ' ' LEU . 75.6 t -56.26 114.6 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.445 1.091 . . . . 0.0 109.304 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 121' ' ' GLN . . . . . 0.406 ' HB2' ' N ' ' A' ' 115' ' ' GLY . 15.0 tt0 -94.81 -52.7 4.15 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.544 1.153 . . . . 0.0 110.239 -179.927 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -152.39 141.09 20.91 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.497 1.123 . . . . 0.0 110.232 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 123' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -105.26 139.84 25.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.542 1.151 . . . . 0.0 109.328 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 71.4 t -125.49 135.31 64.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 O-C-N 124.507 1.13 . . . . 0.0 109.199 -179.928 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -116.74 128.05 54.96 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.618 1.199 . . . . 0.0 109.311 179.894 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . 105.13 155.23 22.51 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.576 1.173 . . . . 0.0 110.991 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 127' ' ' SER . . . . . 0.46 ' CB ' ' HG2' ' A' ' 109' ' ' PRO . 0.2 OUTLIER -68.7 159.2 32.63 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.493 0.761 . . . . 0.0 110.025 179.976 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 128' ' ' ILE . . . . . 0.792 HG22 ' NE2' ' A' ' 132' ' ' GLN . 10.7 pt -135.2 168.07 24.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.538 1.149 . . . . 0.0 109.279 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 129' ' ' ASN . . . . . . . . . . . . . 2.0 p30 -106.4 167.32 9.92 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.562 1.163 . . . . 0.0 109.346 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 16.2 tt0 -52.32 -37.29 55.46 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.425 1.078 . . . . 0.0 110.236 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -62.29 -49.93 73.72 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.518 1.136 . . . . 0.0 109.413 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 132' ' ' GLN . . . . . 0.792 ' NE2' HG22 ' A' ' 128' ' ' ILE . 18.5 mt-30 -51.45 -42.48 61.6 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.504 1.127 . . . . 0.0 110.286 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 133' ' ' ALA . . . . . 0.832 ' O ' HD12 ' A' ' 137' ' ' ILE . . . -56.17 -39.76 72.86 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.497 1.123 . . . . 0.0 109.31 179.917 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 12.4 mt -67.87 -51.91 42.69 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.448 1.093 . . . . 0.0 109.284 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -62.6 -24.85 67.78 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.43 1.081 . . . . 0.0 109.331 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 136' ' ' LEU . . . . . 0.46 HD21 HD12 ' A' ' 28' ' ' LEU . 12.4 tp -73.97 -44.07 56.03 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.455 1.097 . . . . 0.0 109.264 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 137' ' ' ILE . . . . . 0.832 HD12 ' O ' ' A' ' 133' ' ' ALA . 4.7 mt -75.03 -18.43 16.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 O-C-N 124.481 1.113 . . . . 0.0 109.381 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -84.8 -47.55 10.27 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.548 1.155 . . . . 0.0 110.264 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 7.9 t0 -163.83 125.01 1.47 Allowed Pre-proline 0 C--N 1.326 -0.43 0 O-C-N 124.432 1.083 . . . . 0.0 109.283 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.08 -14.45 20.96 Favored 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.471 1.774 . . . . 0.0 110.964 -179.94 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 141' ' ' ASN . . . . . . . . . . . . . 42.5 m-80 -76.3 -25.04 54.43 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.516 1.135 . . . . 0.0 109.396 179.878 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -47.47 148.84 1.26 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.584 1.178 . . . . 0.0 109.218 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 143' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -48.5 142.94 5.34 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.512 1.132 . . . . 0.0 109.293 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 144' ' ' LEU . . . . . 0.663 ' N ' HD13 ' A' ' 144' ' ' LEU . 0.1 OUTLIER . . . . . 0 C--N 1.324 -0.503 0 O-C-N 124.506 1.129 . . . . 0.0 109.35 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.653 ' O ' HG13 ' A' ' 2' ' ' VAL . 0.8 OUTLIER . . . . . 0 N--CA 1.452 -0.361 0 CA-C-O 120.579 0.228 . . . . 0.0 111.008 . . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 2' ' ' VAL . . . . . 0.653 HG13 ' O ' ' A' ' 1' ' ' MET . 0.1 OUTLIER -160.99 62.37 1.58 Allowed Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.51 1.131 . . . . 0.0 109.288 179.998 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 3' ' ' PRO . . . . . 0.45 ' HD3' ' N ' ' A' ' 2' ' ' VAL . 18.2 Cg_endo -74.99 -70.11 0.02 OUTLIER 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.554 1.818 . . . . 0.0 111.026 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 84.3 m-70 -49.84 -28.2 6.11 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.447 1.092 . . . . 0.0 109.569 -179.93 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 31.7 m -67.08 -56.13 11.36 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.576 1.172 . . . . 0.0 110.406 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.743 HD13 HD13 ' A' ' 21' ' ' LEU . 4.0 pp -71.8 -32.72 67.9 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.546 1.154 . . . . 0.0 109.273 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 62.2 m -72.4 -22.62 61.09 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.553 1.158 . . . . 0.0 110.069 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -71.55 -18.32 62.26 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.508 1.13 . . . . 0.0 110.458 179.908 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.967 HD11 ' CD1' ' A' ' 99' ' ' ILE . 62.5 mt -78.72 153.65 30.7 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.505 1.128 . . . . 0.0 109.228 -179.939 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.408 ' HA ' ' O ' ' A' ' 15' ' ' ARG . 59.9 mttt -142.09 154.65 45.08 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.519 1.137 . . . . 0.0 109.342 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 41.5 p -91.9 175.16 6.98 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.476 1.11 . . . . 0.0 110.462 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -70.98 -7.54 46.89 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.551 1.157 . . . . 0.0 109.292 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -104.06 24.83 10.78 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.489 1.118 . . . . 0.0 109.326 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER 47.44 57.27 6.01 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.472 1.107 . . . . 0.0 109.259 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 15' ' ' ARG . . . . . 0.408 ' O ' ' HA ' ' A' ' 10' ' ' LYS . 0.6 OUTLIER -133.34 153.41 80.54 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.458 1.099 . . . . 0.0 110.309 179.97 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 126.93 10.31 Favored 'Trans proline' 0 C--N 1.361 1.184 0 O-C-N 124.52 1.8 . . . . 0.0 110.97 -179.894 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -58.9 -29.02 66.74 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.453 1.095 . . . . 0.0 109.279 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 23.3 t -50.56 -22.33 1.93 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.521 1.138 . . . . 0.0 109.954 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 6.2 t -61.82 -26.41 39.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.563 1.164 . . . . 0.0 109.316 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 15.1 m-85 -105.86 21.57 17.07 Favored 'General case' 0 C--N 1.327 -0.409 0 O-C-N 124.481 1.113 . . . . 0.0 110.961 -179.936 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.743 HD13 HD13 ' A' ' 6' ' ' LEU . 0.6 OUTLIER -137.49 101.43 4.5 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.508 1.13 . . . . 0.0 109.315 -179.987 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 174.18 -165.19 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.567 1.167 . . . . 0.0 109.294 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.41 ' O ' ' C ' ' A' ' 24' ' ' ASP . 0.0 OUTLIER 61.04 23.19 13.39 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.445 1.091 . . . . 0.0 109.288 179.945 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 24' ' ' ASP . . . . . 0.41 ' C ' ' O ' ' A' ' 23' ' ' LYS . 5.4 m-20 39.57 38.84 0.44 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.508 1.13 . . . . 0.0 109.293 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -109.35 161.08 25.29 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.434 1.084 . . . . 0.0 109.265 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.98 146.31 32.59 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.45 1.763 . . . . 0.0 110.971 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 98.3 m -118.15 142.24 47.65 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.4 1.062 . . . . 0.0 110.426 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.558 HD13 HD13 ' A' ' 113' ' ' LEU . 13.7 tp -123.71 124.13 42.06 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.529 1.143 . . . . 0.0 109.328 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.409 ' O ' ' HA ' ' A' ' 111' ' ' TRP . 3.0 mt -109.67 148.01 13.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.566 1.166 . . . . 0.0 109.263 -179.936 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.572 ' HB2' ' CE3' ' A' ' 111' ' ' TRP . 0.9 OUTLIER -139.09 113.91 9.26 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.564 1.165 . . . . 0.0 109.302 179.972 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 31' ' ' PHE . . . . . 0.604 ' CE1' ' CD1' ' A' ' 105' ' ' ILE . 47.5 m-85 -83.38 142.04 31.31 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.524 1.14 . . . . 0.0 111.007 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 32' ' ' TRP . . . . . 0.644 ' CH2' HD23 ' A' ' 43' ' ' LEU . 0.4 OUTLIER -162.34 150.6 14.58 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 107.991 -1.114 . . . . 0.0 107.991 179.965 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 33' ' ' ALA . . . . . 0.582 ' HB1' ' OE2' ' A' ' 71' ' ' GLU . . . -105.99 156.67 18.16 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.442 1.089 . . . . 0.0 109.279 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 34' ' ' SER . . . . . 0.569 ' HB3' ' CZ3' ' A' ' 80' ' ' TRP . 0.6 OUTLIER -76.07 -32.6 59.35 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.544 1.153 . . . . 0.0 110.032 179.985 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 33.8 p-90 -69.32 -13.61 62.47 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.556 1.16 . . . . 0.0 107.972 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 49.2 t -82.14 120.8 78.05 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.536 1.147 . . . . 0.0 108.255 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.95 -53.99 0.09 OUTLIER 'Trans proline' 0 C--N 1.361 1.205 0 O-C-N 124.553 1.818 . . . . 0.0 111.06 179.909 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 5.4 tt -47.93 -32.81 6.82 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.49 1.119 . . . . 0.0 109.354 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 97.5 m -78.76 -43.29 25.92 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.526 1.141 . . . . 0.0 108.265 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.503 HD23 HD11 ' A' ' 43' ' ' LEU . 17.2 mt -52.16 -56.12 16.61 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.48 1.112 . . . . 0.0 109.353 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 24.5 p -57.81 -24.1 55.73 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.566 1.166 . . . . 0.0 109.983 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -76.52 -13.09 60.11 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.452 1.095 . . . . 0.0 110.312 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.644 HD23 ' CH2' ' A' ' 32' ' ' TRP . 24.1 mt -46.39 -49.0 18.55 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.549 1.156 . . . . 0.0 109.227 -179.934 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -77.44 -42.7 17.53 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.512 1.133 . . . . 0.0 110.948 -179.919 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 13.4 tt0 -56.82 -35.92 69.34 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.506 0.768 . . . . 0.0 110.298 -179.931 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 89.6 m -74.01 -40.73 62.72 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.479 1.112 . . . . 0.0 110.437 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 47' ' ' GLU . . . . . 0.426 ' CG ' ' HB2' ' A' ' 89' ' ' LEU . 0.0 OUTLIER -55.22 -38.1 68.01 Favored 'General case' 0 C--N 1.327 -0.398 0 O-C-N 124.479 1.112 . . . . 0.0 110.301 179.948 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.409 ' HG3' ' N ' ' A' ' 49' ' ' TRP . 10.9 ptmt -78.27 -38.23 43.21 Favored 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.605 1.191 . . . . 0.0 109.315 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 49' ' ' TRP . . . . . 0.461 ' O ' ' CD2' ' A' ' 55' ' ' PHE . 34.5 m0 -64.55 -33.98 77.17 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.461 1.101 . . . . 0.0 108.042 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -79.37 -8.79 59.35 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.534 1.146 . . . . 0.0 109.334 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 1.3 mm-40 -102.54 -10.13 19.58 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.441 1.088 . . . . 0.0 110.267 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.6 t0 -65.01 132.05 48.22 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.5 1.125 . . . . 0.0 109.284 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -59.25 -50.92 72.15 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.445 1.091 . . . . 0.0 109.286 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 54' ' ' LYS . . . . . 0.702 ' HG2' HD22 ' A' ' 134' ' ' LEU . 0.0 OUTLIER -48.5 -36.79 15.92 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.453 1.095 . . . . 0.0 109.234 -179.979 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 55' ' ' PHE . . . . . 0.81 ' CE1' HD12 ' A' ' 60' ' ' LEU . 0.2 OUTLIER -77.02 -30.49 55.84 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.488 1.118 . . . . 0.0 110.994 179.994 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 56' ' ' SER . . . . . 0.402 ' O ' ' C ' ' A' ' 57' ' ' SER . 1.4 t -46.04 -42.61 13.59 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.615 1.197 . . . . 0.0 110.047 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 57' ' ' SER . . . . . 0.402 ' C ' ' O ' ' A' ' 56' ' ' SER . 1.3 t -38.45 -58.42 1.02 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.423 1.077 . . . . 0.0 110.046 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 58' ' ' ALA . . . . . 0.427 ' O ' ' O ' ' A' ' 55' ' ' PHE . . . -103.3 166.53 10.37 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.39 1.056 . . . . 0.0 109.229 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 86.2 m-20 -88.8 136.35 33.05 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.439 1.087 . . . . 0.0 109.306 179.93 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.81 HD12 ' CE1' ' A' ' 55' ' ' PHE . 4.2 tt -124.54 126.37 45.72 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.504 1.128 . . . . 0.0 109.305 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.728 ' N ' HD23 ' A' ' 60' ' ' LEU . 12.1 pt -152.38 160.3 3.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.533 1.146 . . . . 0.0 109.293 179.943 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 62' ' ' THR . . . . . 0.421 ' HA ' ' O ' ' A' ' 30' ' ' LYS . 28.1 p -109.74 158.08 18.48 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.472 1.108 . . . . 0.0 110.389 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 3.6 t -122.87 142.28 40.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 O-C-N 124.5 1.125 . . . . 0.0 109.276 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 64' ' ' ALA . . . . . 0.45 ' N ' ' O ' ' A' ' 92' ' ' VAL . . . -134.66 125.52 27.28 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.578 1.174 . . . . 0.0 109.248 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 65' ' ' SER . . . . . 0.468 ' CB ' ' HB3' ' A' ' 68' ' ' PHE . 8.3 m -101.75 107.66 52.77 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.542 1.151 . . . . 0.0 110.013 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 66' ' ' PRO . . . . . 0.437 ' HA ' ' O ' ' A' ' 72' ' ' LYS . 18.3 Cg_endo -75.01 135.53 19.18 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.529 1.805 . . . . 0.0 110.955 -179.944 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 67.46 12.45 61.32 Favored Glycine 0 CA--C 1.531 1.078 0 O-C-N 124.5 1.125 . . . . 0.0 111.065 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 68' ' ' PHE . . . . . 0.613 ' CE2' HD23 ' A' ' 69' ' ' LEU . 72.4 t80 -125.23 137.79 54.11 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.59 0.818 . . . . 0.0 110.998 179.939 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.613 HD23 ' CE2' ' A' ' 68' ' ' PHE . 0.3 OUTLIER 63.45 48.6 3.43 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.455 1.097 . . . . 0.0 109.318 179.958 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 65.4 m170 51.09 33.79 9.83 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.575 1.172 . . . . 0.0 109.57 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 71' ' ' GLU . . . . . 0.582 ' OE2' ' HB1' ' A' ' 33' ' ' ALA . 21.5 tp10 -97.74 156.36 16.6 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.558 1.161 . . . . 0.0 110.309 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 72' ' ' LYS . . . . . 0.437 ' O ' ' HA ' ' A' ' 66' ' ' PRO . 0.2 OUTLIER -60.69 138.97 58.02 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.494 1.121 . . . . 0.0 109.319 -179.967 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 10.7 mttt -62.35 165.64 5.82 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.425 1.078 . . . . 0.0 109.383 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 74' ' ' ASP . . . . . 0.412 ' N ' ' HB2' ' A' ' 66' ' ' PRO . 0.6 OUTLIER -63.29 151.81 39.58 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.441 1.088 . . . . 0.0 109.368 179.997 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 83.9 -52.62 4.75 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.56 1.163 . . . . 0.0 111.045 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -73.82 -29.94 62.43 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.364 0.684 . . . . 0.0 109.193 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 77' ' ' PHE . . . . . 0.534 ' CE2' ' CE1' ' A' ' 81' ' ' TYR . 10.4 t80 -77.63 -57.13 3.98 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.459 1.099 . . . . 0.0 110.988 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 78' ' ' GLN . . . . . 0.536 ' O ' ' HB2' ' A' ' 82' ' ' ALA . 15.4 pt20 -51.95 -28.17 15.67 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.56 1.163 . . . . 0.0 110.299 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -71.61 -48.34 48.69 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.519 1.137 . . . . 0.0 109.328 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 80' ' ' TRP . . . . . 0.569 ' CZ3' ' HB3' ' A' ' 34' ' ' SER . 5.4 t90 -59.98 -53.82 53.34 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.472 1.107 . . . . 0.0 108.045 179.909 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 81' ' ' TYR . . . . . 0.534 ' CE1' ' CE2' ' A' ' 77' ' ' PHE . 0.6 OUTLIER -60.63 -28.8 68.82 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.467 1.104 . . . . 0.0 110.988 -179.996 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 82' ' ' ALA . . . . . 0.536 ' HB2' ' O ' ' A' ' 78' ' ' GLN . . . -72.69 -18.64 61.52 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.494 1.121 . . . . 0.0 109.298 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -90.8 -17.96 49.67 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.554 1.159 . . . . 0.0 111.007 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.527 HD21 ' HE1' ' A' ' 80' ' ' TRP . 76.8 mt -69.85 164.4 23.78 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.531 0.783 . . . . 0.0 109.262 -179.894 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 17.1 m-20 -86.03 -176.28 5.9 Favored 'General case' 0 C--N 1.323 -0.549 0 O-C-N 124.586 1.179 . . . . 0.0 109.295 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 86' ' ' TYR . . . . . 0.427 ' N ' ' HD3' ' A' ' 87' ' ' PRO . 36.7 m-85 52.69 62.37 10.25 Favored Pre-proline 0 C--N 1.323 -0.549 0 O-C-N 124.523 1.139 . . . . 0.0 110.941 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 87' ' ' PRO . . . . . 0.427 ' HD3' ' N ' ' A' ' 86' ' ' TYR . 18.2 Cg_endo -74.97 1.36 7.82 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.515 1.797 . . . . 0.0 110.999 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -89.15 8.8 28.17 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.486 1.117 . . . . 0.0 109.243 -179.944 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 0.63 HD12 ' HD2' ' A' ' 90' ' ' PRO . 0.2 OUTLIER -95.63 140.54 22.38 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.504 1.128 . . . . 0.0 109.326 179.952 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 90' ' ' PRO . . . . . 0.63 ' HD2' HD12 ' A' ' 89' ' ' LEU . 18.4 Cg_endo -74.95 127.33 10.63 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.528 1.804 . . . . 0.0 110.976 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 54.9 t -138.54 120.05 16.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.543 1.152 . . . . 0.0 109.195 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 92' ' ' VAL . . . . . 0.522 HG21 HD12 ' A' ' 61' ' ' ILE . 39.8 t -114.47 130.81 68.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.413 1.071 . . . . 0.0 109.219 -179.922 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 2.4 p -112.9 116.76 30.51 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.505 1.128 . . . . 0.0 110.399 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 63.4 t0 -114.85 111.25 20.91 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.582 1.176 . . . . 0.0 109.317 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -58.87 115.11 2.89 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.515 1.135 . . . . 0.0 109.321 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 85.15 -14.74 48.16 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.505 1.128 . . . . 0.0 110.994 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 59.93 67.4 2.18 Favored Glycine 0 CA--C 1.531 1.053 0 N-CA-C 110.961 -0.855 . . . . 0.0 110.961 -179.934 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 98' ' ' THR . . . . . 0.422 ' O ' ' N ' ' A' ' 102' ' ' SER . 1.3 m -53.59 -43.17 68.37 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.5 0.765 . . . . 0.0 110.394 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 99' ' ' ILE . . . . . 0.967 ' CD1' HD11 ' A' ' 9' ' ' LEU . 3.5 mt -70.14 -44.73 77.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.524 1.14 . . . . 0.0 109.311 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 100' ' ' ALA . . . . . 0.59 ' HA ' HD12 ' A' ' 105' ' ' ILE . . . -57.72 -41.02 80.94 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.645 1.216 . . . . 0.0 109.269 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 2.7 mt-30 -80.34 -37.86 31.68 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.525 1.14 . . . . 0.0 110.244 -179.946 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 102' ' ' SER . . . . . 0.422 ' N ' ' O ' ' A' ' 98' ' ' THR . 47.2 t -61.17 -40.24 93.12 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.496 1.123 . . . . 0.0 109.954 -179.917 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 103' ' ' LEU . . . . . 0.761 HD13 HD12 ' A' ' 123' ' ' ILE . 64.9 mt -85.08 -15.98 42.15 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.398 1.061 . . . . 0.0 109.314 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 46.4 t30 67.67 52.63 0.74 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.495 1.122 . . . . 0.0 109.25 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 105' ' ' ILE . . . . . 0.604 ' CD1' ' CE1' ' A' ' 31' ' ' PHE . 84.9 mt -78.22 -100.63 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.437 1.086 . . . . 0.0 109.297 179.928 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 106' ' ' SER . . . . . 0.525 ' N ' HG22 ' A' ' 105' ' ' ILE . 3.2 p 82.54 -6.64 1.32 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.459 1.099 . . . . 0.0 110.083 -179.915 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 107' ' ' VAL . . . . . 0.57 ' H ' HG22 ' A' ' 105' ' ' ILE . 2.2 p -119.98 131.82 71.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.52 1.138 . . . . 0.0 109.24 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 108' ' ' TYR . . . . . 0.583 ' CE1' ' HB3' ' A' ' 31' ' ' PHE . 22.4 m-85 -131.54 153.74 81.65 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.552 1.157 . . . . 0.0 110.947 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 109' ' ' PRO . . . . . 0.527 ' C ' ' HA ' ' A' ' 108' ' ' TYR . 18.4 Cg_endo -75.06 167.49 80.27 Favored 'Cis proline' 0 C--N 1.359 1.112 0 C-N-CA 121.015 -2.494 . . . . 0.0 110.918 -0.038 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 110' ' ' SER . . . . . 0.415 ' O ' ' HA ' ' A' ' 30' ' ' LYS . 0.5 OUTLIER -142.58 166.0 25.85 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.433 1.083 . . . . 0.0 110.058 179.981 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 111' ' ' TRP . . . . . 0.572 ' CE3' ' HB2' ' A' ' 30' ' ' LYS . 76.9 m95 -141.93 141.23 32.95 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.593 1.183 . . . . 0.0 108.009 -179.949 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -133.51 135.88 44.71 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.472 1.108 . . . . 0.0 109.282 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 113' ' ' LEU . . . . . 0.558 HD13 HD13 ' A' ' 28' ' ' LEU . 49.4 tp -108.73 133.94 52.13 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.523 1.139 . . . . 0.0 109.285 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 20.1 mm -122.38 128.13 75.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.492 1.12 . . . . 0.0 109.279 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 115' ' ' GLY . . . . . 0.405 ' CA ' ' HG2' ' A' ' 121' ' ' GLN . . . -52.58 168.16 0.88 Allowed Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.437 1.085 . . . . 0.0 110.906 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.18 -7.41 49.02 Favored 'General case' 0 C--N 1.327 -0.406 0 O-C-N 124.426 0.721 . . . . 0.0 109.269 -179.9 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 9.9 m-20 -103.72 1.43 31.78 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.481 1.113 . . . . 0.0 109.347 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . 80.74 33.77 29.6 Favored Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.512 1.133 . . . . 0.0 111.022 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 2.1 p30 -117.58 135.52 53.91 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.526 0.78 . . . . 0.0 109.298 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 53.0 t -44.68 116.19 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.473 1.108 . . . . 0.0 109.245 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 121' ' ' GLN . . . . . 0.405 ' HG2' ' CA ' ' A' ' 115' ' ' GLY . 5.3 mm-40 -93.02 -62.12 1.44 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.449 1.093 . . . . 0.0 110.27 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 2.7 tpt85 -158.28 137.49 11.61 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.434 1.084 . . . . 0.0 110.329 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 123' ' ' ILE . . . . . 0.761 HD12 HD13 ' A' ' 103' ' ' LEU . 0.6 OUTLIER -98.39 137.46 25.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.528 1.142 . . . . 0.0 109.366 179.972 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 42.3 t -124.94 130.88 73.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.473 1.108 . . . . 0.0 109.298 -179.935 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -116.2 134.12 55.26 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.503 1.127 . . . . 0.0 109.313 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . 115.11 -154.04 17.24 Favored Glycine 0 CA--C 1.532 1.099 0 O-C-N 124.414 1.071 . . . . 0.0 110.959 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -124.44 138.0 54.39 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.597 0.821 . . . . 0.0 109.964 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 128' ' ' ILE . . . . . 0.401 ' HA ' ' OE1' ' A' ' 132' ' ' GLN . 11.3 pt -115.67 162.62 13.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.541 1.151 . . . . 0.0 109.328 179.933 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 129' ' ' ASN . . . . . . . . . . . . . 2.2 p30 -108.92 167.57 9.99 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.458 1.099 . . . . 0.0 109.323 179.921 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 130' ' ' GLU . . . . . 0.426 ' O ' ' HB3' ' A' ' 133' ' ' ALA . 4.6 tt0 -47.28 -49.3 23.97 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.5 1.125 . . . . 0.0 110.28 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -48.51 -53.91 16.34 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.493 1.121 . . . . 0.0 109.285 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 132' ' ' GLN . . . . . 0.401 ' OE1' ' HA ' ' A' ' 128' ' ' ILE . 0.0 OUTLIER -51.13 -46.7 62.02 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.543 1.152 . . . . 0.0 110.326 179.995 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 133' ' ' ALA . . . . . 0.492 ' HB1' ' CZ ' ' A' ' 55' ' ' PHE . . . -51.92 -46.11 64.52 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.488 1.117 . . . . 0.0 109.308 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 134' ' ' LEU . . . . . 0.702 HD22 ' HG2' ' A' ' 54' ' ' LYS . 12.8 mt -66.53 -53.89 29.88 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.469 1.106 . . . . 0.0 109.313 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -53.95 -28.51 37.67 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.502 1.126 . . . . 0.0 109.234 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 136' ' ' LEU . . . . . 0.706 HD23 HG13 ' A' ' 137' ' ' ILE . 0.5 OUTLIER -69.24 -45.08 70.66 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.435 1.084 . . . . 0.0 109.295 179.98 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 137' ' ' ILE . . . . . 0.706 HG13 HD23 ' A' ' 136' ' ' LEU . 5.9 mt -75.9 -26.24 17.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.482 1.114 . . . . 0.0 109.301 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 1.4 tpp180 -78.66 -47.53 16.83 Favored 'General case' 0 C--N 1.323 -0.557 0 O-C-N 124.605 1.19 . . . . 0.0 110.273 -179.932 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 15.2 t0 -148.63 122.16 4.67 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.472 1.108 . . . . 0.0 109.289 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -14.21 21.21 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.517 1.798 . . . . 0.0 111.047 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 141' ' ' ASN . . . . . . . . . . . . . 56.8 m-80 -77.89 -20.01 53.72 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.492 1.12 . . . . 0.0 109.301 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -71.38 102.59 2.66 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.388 1.055 . . . . 0.0 109.249 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 143' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -165.4 130.53 2.51 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.471 1.107 . . . . 0.0 109.302 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.324 -0.506 0 O-C-N 124.604 1.19 . . . . 0.0 109.252 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.7 ' O ' HG23 ' A' ' 2' ' ' VAL . 0.4 OUTLIER . . . . . 0 N--CA 1.453 -0.287 0 CA-C-O 120.536 0.208 . . . . 0.0 110.965 . . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 2' ' ' VAL . . . . . 0.7 HG23 ' O ' ' A' ' 1' ' ' MET . 0.9 OUTLIER 163.56 -52.19 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.437 1.085 . . . . 0.0 109.268 179.965 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 3' ' ' PRO . . . . . 0.506 ' CD ' ' N ' ' A' ' 2' ' ' VAL . 18.4 Cg_endo -74.97 -29.22 8.51 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.538 1.81 . . . . 0.0 111.052 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 4' ' ' HIS . . . . . 0.446 ' O ' ' CB ' ' A' ' 8' ' ' THR . 2.9 t-160 -76.07 -32.05 59.07 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.423 1.077 . . . . 0.0 109.639 179.934 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 16.4 m -65.16 -53.54 43.42 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.563 1.164 . . . . 0.0 110.399 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.5 ' CD1' HD21 ' A' ' 21' ' ' LEU . 2.8 tm? -68.75 -35.79 77.54 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.42 1.075 . . . . 0.0 109.326 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 7' ' ' SER . . . . . 0.461 ' O ' ' HB3' ' A' ' 17' ' ' ALA . 48.5 t -74.29 -22.37 59.31 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.414 1.072 . . . . 0.0 109.919 -179.916 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 8' ' ' THR . . . . . 0.446 ' CB ' ' O ' ' A' ' 4' ' ' HIS . 1.0 OUTLIER -70.84 -27.06 63.57 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.416 1.072 . . . . 0.0 110.416 179.968 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.401 ' HB2' ' O ' ' A' ' 6' ' ' LEU . 1.8 mm? -47.05 144.99 2.3 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.494 1.121 . . . . 0.0 109.278 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.419 ' HA ' ' O ' ' A' ' 15' ' ' ARG . 11.7 mttt -105.74 144.17 32.85 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.466 1.104 . . . . 0.0 109.308 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 11' ' ' THR . . . . . 0.486 ' CB ' ' O ' ' A' ' 91' ' ' VAL . 8.4 p -87.57 179.66 6.5 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.583 1.177 . . . . 0.0 110.33 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -68.17 -9.18 44.83 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.532 1.145 . . . . 0.0 109.359 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' ASP . . . . . 0.448 ' N ' ' OD1' ' A' ' 13' ' ' ASP . 0.0 OUTLIER -103.81 25.51 9.75 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.457 1.098 . . . . 0.0 109.283 -179.985 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 48.08 30.93 2.26 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.467 1.104 . . . . 0.0 109.299 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 15' ' ' ARG . . . . . 0.874 ' HD2' HG21 ' A' ' 19' ' ' VAL . 0.0 OUTLIER -105.27 156.67 35.86 Favored Pre-proline 0 C--N 1.326 -0.438 0 O-C-N 124.467 1.104 . . . . 0.0 110.255 -179.964 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 16' ' ' PRO . . . . . 0.806 ' O ' HG23 ' A' ' 19' ' ' VAL . 18.1 Cg_endo -74.98 130.32 13.18 Favored 'Trans proline' 0 C--N 1.361 1.205 0 O-C-N 124.432 1.754 . . . . 0.0 111.054 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.461 ' HB3' ' O ' ' A' ' 7' ' ' SER . . . -48.35 -32.1 7.02 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.446 1.091 . . . . 0.0 109.329 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 53.2 p -49.57 -23.92 1.88 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.564 1.165 . . . . 0.0 110.036 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.874 HG21 ' HD2' ' A' ' 15' ' ' ARG . 84.7 t -53.85 -31.84 21.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.527 1.142 . . . . 0.0 109.268 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 8.2 m-85 -133.64 23.22 3.98 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.568 1.168 . . . . 0.0 110.989 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.5 HD21 ' CD1' ' A' ' 6' ' ' LEU . 0.2 OUTLIER -111.45 122.25 47.34 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.481 1.113 . . . . 0.0 109.398 179.902 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -113.45 99.51 7.82 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.524 1.14 . . . . 0.0 109.324 -179.935 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.27 55.68 0.15 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.548 1.155 . . . . 0.0 109.298 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 5.9 t70 177.07 34.8 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.602 1.189 . . . . 0.0 109.228 -179.915 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 1.3 mttt -169.2 167.9 5.32 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.475 1.109 . . . . 0.0 109.322 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 135.19 18.67 Favored 'Trans proline' 0 C--N 1.358 1.064 0 O-C-N 124.531 1.806 . . . . 0.0 111.0 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 88.4 m -116.45 127.48 54.63 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.429 1.081 . . . . 0.0 110.391 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.516 HD12 ' O ' ' A' ' 112' ' ' ALA . 14.1 tp -109.09 129.5 55.47 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.507 1.129 . . . . 0.0 109.36 179.934 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.584 ' HB ' ' HB3' ' A' ' 112' ' ' ALA . 7.9 mt -108.82 148.4 12.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.472 1.107 . . . . 0.0 109.32 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.409 ' HG3' ' CE2' ' A' ' 111' ' ' TRP . 17.6 tttp -138.66 114.6 10.06 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.514 1.134 . . . . 0.0 109.284 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 31' ' ' PHE . . . . . 0.701 ' CZ ' HD12 ' A' ' 105' ' ' ILE . 54.5 m-85 -84.79 131.69 34.51 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.517 1.136 . . . . 0.0 111.065 179.908 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 32' ' ' TRP . . . . . 0.585 ' CZ2' HD11 ' A' ' 43' ' ' LEU . 7.8 p-90 -137.73 167.46 21.66 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.499 1.124 . . . . 0.0 108.017 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -132.36 147.82 52.4 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.461 1.101 . . . . 0.0 109.313 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -72.23 -39.04 68.8 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.421 1.075 . . . . 0.0 109.98 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 22.0 p-90 -69.99 -14.97 62.95 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 107.942 -1.133 . . . . 0.0 107.942 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 42.4 t -86.95 114.28 57.53 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.438 1.087 . . . . 0.0 108.351 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 -47.42 0.2 Allowed 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.502 1.791 . . . . 0.0 111.013 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -53.95 -27.78 33.26 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.491 1.12 . . . . 0.0 109.271 179.937 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 39' ' ' CYS . . . . . 0.414 ' O ' ' N ' ' A' ' 43' ' ' LEU . 1.8 m -77.59 -54.38 6.47 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.375 1.047 . . . . 0.0 108.312 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 19.5 mt -51.23 -46.88 62.42 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.513 1.133 . . . . 0.0 109.361 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 9.0 p -62.75 -25.19 68.08 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.569 1.168 . . . . 0.0 110.038 179.917 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -87.38 -31.53 20.06 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.546 1.154 . . . . 0.0 110.354 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.698 ' CD1' HD21 ' A' ' 89' ' ' LEU . 0.2 OUTLIER -45.42 -51.72 11.04 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.529 1.143 . . . . 0.0 109.393 179.89 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -53.26 -49.84 54.66 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.477 1.11 . . . . 0.0 111.022 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 45' ' ' GLN . . . . . 0.406 ' HG3' ' CE2' ' A' ' 49' ' ' TRP . 5.1 tp60 -63.11 -32.87 74.35 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.48 0.753 . . . . 0.0 110.245 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 24.6 m -66.91 -34.16 77.17 Favored 'General case' 0 C--N 1.323 -0.562 0 O-C-N 124.551 1.157 . . . . 0.0 110.408 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 47' ' ' GLU . . . . . 0.469 ' CG ' ' HB2' ' A' ' 89' ' ' LEU . 31.6 tt0 -69.51 -31.88 70.39 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.484 1.115 . . . . 0.0 110.307 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.422 ' O ' ' CG ' ' A' ' 51' ' ' GLN . 3.5 tttt -78.06 -36.33 48.48 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.434 1.084 . . . . 0.0 109.35 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 49' ' ' TRP . . . . . 0.543 ' CZ2' ' HB2' ' A' ' 130' ' ' GLU . 47.4 m0 -75.63 -27.89 58.59 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.48 1.113 . . . . 0.0 108.004 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -67.42 -12.59 60.61 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.549 1.156 . . . . 0.0 109.325 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 51' ' ' GLN . . . . . 0.422 ' CG ' ' O ' ' A' ' 48' ' ' LYS . 5.5 pt20 -113.63 -1.84 13.94 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.57 1.169 . . . . 0.0 110.285 -179.941 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -68.44 121.75 16.99 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.489 1.118 . . . . 0.0 109.322 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -47.87 -50.58 26.05 Favored 'General case' 0 C--N 1.323 -0.548 0 O-C-N 124.62 1.2 . . . . 0.0 109.286 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 54' ' ' LYS . . . . . 0.651 ' HB3' HD22 ' A' ' 134' ' ' LEU . 0.1 OUTLIER -48.72 -39.45 24.8 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.455 1.097 . . . . 0.0 109.401 179.914 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 55' ' ' PHE . . . . . 0.883 ' CE1' HD12 ' A' ' 60' ' ' LEU . 0.1 OUTLIER -77.2 -27.72 53.66 Favored 'General case' 0 C--N 1.327 -0.403 0 O-C-N 124.509 1.131 . . . . 0.0 111.043 179.934 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 8.0 t -46.09 -38.84 8.54 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.477 1.111 . . . . 0.0 110.023 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 5.2 t -40.09 -51.91 2.57 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.519 1.137 . . . . 0.0 109.925 -179.926 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -112.72 165.8 11.94 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.505 1.128 . . . . 0.0 109.292 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 59' ' ' ASN . . . . . 0.42 ' ND2' ' N ' ' A' ' 59' ' ' ASN . 0.7 OUTLIER -89.0 123.55 33.43 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.502 1.126 . . . . 0.0 109.286 -179.957 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.883 HD12 ' CE1' ' A' ' 55' ' ' PHE . 2.4 tt -109.93 127.36 54.71 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.558 1.161 . . . . 0.0 109.262 -179.932 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.627 ' N ' HD23 ' A' ' 60' ' ' LEU . 1.0 OUTLIER -153.5 162.22 2.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 O-C-N 124.45 1.094 . . . . 0.0 109.341 179.97 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 62' ' ' THR . . . . . 0.536 ' HB ' ' CD1' ' A' ' 32' ' ' TRP . 32.7 p -114.76 148.98 37.61 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.418 1.074 . . . . 0.0 110.414 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 63' ' ' VAL . . . . . 0.416 HG22 ' HB ' ' A' ' 92' ' ' VAL . 2.2 t -122.95 145.06 30.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.525 1.141 . . . . 0.0 109.269 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -134.66 148.51 50.37 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.587 1.179 . . . . 0.0 109.295 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 65' ' ' SER . . . . . 0.439 ' CB ' ' HB3' ' A' ' 68' ' ' PHE . 38.5 m -123.52 108.77 31.11 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.492 1.12 . . . . 0.0 109.913 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 66' ' ' PRO . . . . . 0.467 ' HA ' ' O ' ' A' ' 72' ' ' LYS . 18.4 Cg_endo -74.96 136.37 20.38 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.558 1.82 . . . . 0.0 110.997 179.899 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 72.22 2.49 53.89 Favored Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.511 1.132 . . . . 0.0 110.974 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 68' ' ' PHE . . . . . 0.439 ' HB3' ' CB ' ' A' ' 65' ' ' SER . 17.1 t80 -115.11 126.6 54.84 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.537 0.786 . . . . 0.0 111.054 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.654 ' CD2' ' CE2' ' A' ' 108' ' ' TYR . 1.2 mp 75.93 27.57 0.93 Allowed 'General case' 0 C--N 1.322 -0.594 0 O-C-N 124.533 1.146 . . . . 0.0 109.323 179.945 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER 64.89 23.05 12.58 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.535 1.147 . . . . 0.0 109.635 -179.916 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 71' ' ' GLU . . . . . 0.419 ' O ' ' C ' ' A' ' 72' ' ' LYS . 0.1 OUTLIER -86.78 144.5 27.03 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.409 1.068 . . . . 0.0 110.264 -179.939 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 72' ' ' LYS . . . . . 0.467 ' O ' ' HA ' ' A' ' 66' ' ' PRO . 3.9 mmtp -38.8 142.7 0.19 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.522 1.138 . . . . 0.0 109.299 -179.943 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.26 165.86 23.39 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.507 1.13 . . . . 0.0 109.341 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 11.4 t70 -53.1 154.73 2.89 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.512 1.133 . . . . 0.0 109.264 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 75' ' ' GLY . . . . . 0.464 ' CA ' ' HG3' ' A' ' 78' ' ' GLN . . . 77.99 -52.09 3.59 Favored Glycine 0 CA--C 1.529 0.946 0 O-C-N 124.496 1.122 . . . . 0.0 111.011 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -63.64 -53.61 48.8 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.412 0.713 . . . . 0.0 109.335 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 40.5 t80 -57.42 -31.08 65.5 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.404 1.065 . . . . 0.0 110.953 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 78' ' ' GLN . . . . . 0.464 ' HG3' ' CA ' ' A' ' 75' ' ' GLY . 4.6 mt-30 -63.3 -39.73 95.37 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.553 1.158 . . . . 0.0 110.291 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.3 -41.06 81.47 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.494 1.122 . . . . 0.0 109.347 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 80' ' ' TRP . . . . . . . . . . . . . 2.7 t90 -57.79 -48.33 79.99 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.547 1.154 . . . . 0.0 107.993 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 81' ' ' TYR . . . . . 0.404 ' O ' ' O ' ' A' ' 84' ' ' LEU . 62.0 t80 -67.2 -28.14 67.84 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.536 1.147 . . . . 0.0 111.005 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -81.08 4.07 21.13 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.434 1.084 . . . . 0.0 109.317 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -118.83 1.74 15.16 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.469 1.106 . . . . 0.0 110.93 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.677 HD12 ' C ' ' A' ' 84' ' ' LEU . 1.1 pp -159.63 169.88 22.8 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.447 0.734 . . . . 0.0 109.282 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 85' ' ' ASN . . . . . 0.613 ' ND2' HD22 ' A' ' 89' ' ' LEU . 2.5 m120 62.88 148.28 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.367 1.042 . . . . 0.0 109.259 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 86' ' ' TYR . . . . . 0.513 ' CD2' ' HD2' ' A' ' 87' ' ' PRO . 0.1 OUTLIER -92.42 160.8 34.14 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.521 1.138 . . . . 0.0 110.992 -179.998 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 87' ' ' PRO . . . . . 0.513 ' HD2' ' CD2' ' A' ' 86' ' ' TYR . 18.3 Cg_endo -74.99 45.81 1.41 Allowed 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.497 1.788 . . . . 0.0 111.049 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 88' ' ' LYS . . . . . 0.407 ' H ' ' C ' ' A' ' 86' ' ' TYR . 3.1 mmtt -138.02 9.52 2.79 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.475 1.109 . . . . 0.0 109.275 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 0.878 HD12 ' HD2' ' A' ' 90' ' ' PRO . 4.3 tp -112.54 129.79 24.04 Favored Pre-proline 0 C--N 1.324 -0.521 0 O-C-N 124.557 1.161 . . . . 0.0 109.384 179.945 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 90' ' ' PRO . . . . . 0.878 ' HD2' HD12 ' A' ' 89' ' ' LEU . 18.3 Cg_endo -74.95 127.73 10.95 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.488 1.783 . . . . 0.0 111.027 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 91' ' ' VAL . . . . . 0.486 ' O ' ' CB ' ' A' ' 11' ' ' THR . 53.9 t -145.83 117.63 2.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.44 1.088 . . . . 0.0 109.258 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 92' ' ' VAL . . . . . 0.416 ' HB ' HG22 ' A' ' 63' ' ' VAL . 84.9 t -108.28 137.3 40.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 O-C-N 124.405 1.066 . . . . 0.0 109.372 179.902 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 12.4 p -120.41 119.52 33.28 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.474 1.109 . . . . 0.0 110.458 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 58.0 t0 -115.2 111.48 21.04 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.619 1.199 . . . . 0.0 109.269 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 23.2 t-20 -56.26 115.2 2.33 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.385 1.053 . . . . 0.0 109.39 179.9 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 86.58 -18.12 35.8 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.475 1.109 . . . . 0.0 111.054 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 65.98 66.09 2.57 Favored Glycine 0 CA--C 1.529 0.967 0 N-CA-C 110.963 -0.855 . . . . 0.0 110.963 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 98' ' ' THR . . . . . 0.426 ' O ' ' N ' ' A' ' 102' ' ' SER . 1.2 m -57.88 -49.11 77.81 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.383 0.696 . . . . 0.0 110.411 179.944 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 6.4 mt -65.6 -47.39 86.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.121 . . . . 0.0 109.302 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -59.31 -38.42 80.19 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.514 1.134 . . . . 0.0 109.259 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 26.6 mt-30 -77.77 -36.29 50.72 Favored 'General case' 0 C--N 1.323 -0.558 0 O-C-N 124.489 1.118 . . . . 0.0 110.247 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 102' ' ' SER . . . . . 0.426 ' N ' ' O ' ' A' ' 98' ' ' THR . 8.6 t -64.82 -30.93 71.95 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.494 1.121 . . . . 0.0 109.931 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 103' ' ' LEU . . . . . 0.484 HD21 HG21 ' A' ' 120' ' ' VAL . 48.1 mt -97.23 5.1 50.62 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.575 1.172 . . . . 0.0 109.317 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 16.3 t-20 53.46 46.89 25.27 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.456 1.097 . . . . 0.0 109.256 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 105' ' ' ILE . . . . . 0.701 HD12 ' CZ ' ' A' ' 31' ' ' PHE . 9.7 mt -93.86 112.53 26.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.526 1.141 . . . . 0.0 109.275 -179.947 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 11.8 p -133.69 33.28 3.5 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.467 1.104 . . . . 0.0 110.041 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 2.1 p -148.06 132.55 9.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.479 1.112 . . . . 0.0 109.32 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 108' ' ' TYR . . . . . 0.654 ' CE2' ' CD2' ' A' ' 69' ' ' LEU . 22.5 m-85 -130.34 152.92 81.05 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.499 1.124 . . . . 0.0 111.073 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 109' ' ' PRO . . . . . 0.533 ' C ' ' HA ' ' A' ' 108' ' ' TYR . 18.2 Cg_endo -75.07 161.41 94.86 Favored 'Cis proline' 0 C--N 1.36 1.144 0 C-N-CA 120.903 -2.541 . . . . 0.0 110.979 -0.0 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -136.55 163.72 29.87 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.547 1.154 . . . . 0.0 109.985 -179.931 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 111' ' ' TRP . . . . . 0.409 ' CE2' ' HG3' ' A' ' 30' ' ' LYS . 80.6 m95 -135.65 141.66 45.06 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.453 1.095 . . . . 0.0 108.121 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 112' ' ' ALA . . . . . 0.584 ' HB3' ' HB ' ' A' ' 29' ' ' ILE . . . -132.15 138.63 48.11 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.558 1.161 . . . . 0.0 109.293 -179.907 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 20.8 tp -108.93 131.61 54.87 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.496 1.122 . . . . 0.0 109.306 179.905 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 114' ' ' ILE . . . . . 0.674 HD13 ' HA ' ' A' ' 120' ' ' VAL . 41.2 mm -121.57 125.79 73.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.575 1.172 . . . . 0.0 109.282 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -55.32 169.08 2.15 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.521 1.138 . . . . 0.0 110.963 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -68.83 -12.12 61.2 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.499 0.764 . . . . 0.0 109.286 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -88.63 -19.12 26.64 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.513 1.133 . . . . 0.0 109.237 -179.911 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . 99.73 23.83 10.53 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.432 1.083 . . . . 0.0 110.967 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -111.71 154.49 24.91 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.555 0.797 . . . . 0.0 109.24 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 120' ' ' VAL . . . . . 0.674 ' HA ' HD13 ' A' ' 114' ' ' ILE . 27.0 t -58.26 113.04 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.437 1.086 . . . . 0.0 109.334 179.863 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 4.0 tp-100 -88.39 -55.03 3.9 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.398 1.061 . . . . 0.0 110.272 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -154.24 158.43 40.24 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.517 1.136 . . . . 0.0 110.381 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 123' ' ' ILE . . . . . . . . . . . . . 3.5 tt -120.22 138.57 50.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.518 1.136 . . . . 0.0 109.365 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 57.1 t -130.96 138.42 53.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.508 1.13 . . . . 0.0 109.359 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 25.5 mttt -121.71 120.24 34.09 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.462 1.101 . . . . 0.0 109.374 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . 126.96 -168.95 18.97 Favored Glycine 0 CA--C 1.531 1.071 0 O-C-N 124.501 1.125 . . . . 0.0 110.922 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -110.03 154.71 22.81 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.481 0.754 . . . . 0.0 109.963 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 128' ' ' ILE . . . . . . . . . . . . . 9.9 pt -134.26 162.56 38.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.6 1.187 . . . . 0.0 109.29 179.915 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 129' ' ' ASN . . . . . 0.609 ' ND2' ' HB3' ' A' ' 131' ' ' ALA . 3.3 p-10 -102.3 172.64 6.77 Favored 'General case' 0 C--N 1.323 -0.547 0 O-C-N 124.585 1.178 . . . . 0.0 109.292 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 130' ' ' GLU . . . . . 0.543 ' HB2' ' CZ2' ' A' ' 49' ' ' TRP . 29.6 tt0 -54.91 -48.59 72.87 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.46 1.1 . . . . 0.0 110.274 -179.95 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 131' ' ' ALA . . . . . 0.609 ' HB3' ' ND2' ' A' ' 129' ' ' ASN . . . -53.24 -51.2 62.96 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.507 1.13 . . . . 0.0 109.224 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 6.5 mt-30 -50.81 -44.72 59.14 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.463 1.102 . . . . 0.0 110.265 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 133' ' ' ALA . . . . . 0.619 ' O ' HD12 ' A' ' 137' ' ' ILE . . . -54.28 -38.82 66.29 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.566 1.166 . . . . 0.0 109.257 -179.941 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 134' ' ' LEU . . . . . 0.651 HD22 ' HB3' ' A' ' 54' ' ' LYS . 14.3 mt -68.93 -53.67 19.65 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.482 1.114 . . . . 0.0 109.323 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -55.47 -28.02 51.91 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.541 1.151 . . . . 0.0 109.263 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -71.95 -45.35 61.41 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.462 1.101 . . . . 0.0 109.27 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 137' ' ' ILE . . . . . 0.619 HD12 ' O ' ' A' ' 133' ' ' ALA . 6.0 mt -75.99 -22.99 15.97 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 O-C-N 124.469 1.106 . . . . 0.0 109.246 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 138' ' ' ARG . . . . . 0.425 ' N ' ' O ' ' A' ' 134' ' ' LEU . 0.2 OUTLIER -78.09 -47.47 18.22 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.543 1.152 . . . . 0.0 110.244 -179.97 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 16.0 t0 -163.65 126.82 1.73 Allowed Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.548 1.155 . . . . 0.0 109.262 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.08 -28.0 9.42 Favored 'Trans proline' 0 C--N 1.361 1.22 0 O-C-N 124.401 1.738 . . . . 0.0 110.963 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 141' ' ' ASN . . . . . . . . . . . . . 36.2 m-80 -67.0 -13.47 61.94 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.46 1.1 . . . . 0.0 109.321 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -62.28 141.53 58.21 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.504 1.128 . . . . 0.0 109.309 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 143' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 64.77 128.74 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.532 1.145 . . . . 0.0 109.25 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 1.3 pp . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.457 1.098 . . . . 0.0 109.323 179.977 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.474 ' HB3' ' CB ' ' A' ' 4' ' ' HIS . 1.0 OUTLIER . . . . . 0 N--CA 1.453 -0.286 0 CA-C-O 120.538 0.209 . . . . 0.0 111.004 . . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 2' ' ' VAL . . . . . 0.557 ' N ' ' CD ' ' A' ' 3' ' ' PRO . 1.0 OUTLIER -77.32 -49.46 2.29 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.456 1.097 . . . . 0.0 109.258 -179.965 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 3' ' ' PRO . . . . . 0.557 ' CD ' ' N ' ' A' ' 2' ' ' VAL . 18.1 Cg_endo -75.07 1.18 8.06 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.537 1.809 . . . . 0.0 110.922 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 4' ' ' HIS . . . . . 0.474 ' CB ' ' HB3' ' A' ' 1' ' ' MET . 0.7 OUTLIER -71.52 -53.94 12.18 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.523 1.139 . . . . 0.0 109.64 -179.986 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.515 ' O ' HD23 ' A' ' 9' ' ' LEU . 32.9 m -81.88 -35.62 29.08 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.469 1.106 . . . . 0.0 110.455 179.923 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -54.18 -38.73 65.91 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.556 1.16 . . . . 0.0 109.341 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 54.7 p -71.05 -23.14 62.08 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.471 1.107 . . . . 0.0 110.054 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 3.8 m -86.9 -9.03 56.67 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.479 1.112 . . . . 0.0 110.33 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.515 HD23 ' O ' ' A' ' 5' ' ' THR . 3.6 mm? -76.56 157.54 31.93 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.472 1.107 . . . . 0.0 109.174 -179.909 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.405 ' HA ' ' O ' ' A' ' 15' ' ' ARG . 6.4 mttt -137.94 149.09 45.88 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.537 1.148 . . . . 0.0 109.327 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 11' ' ' THR . . . . . 0.592 HG22 HG22 ' A' ' 92' ' ' VAL . 22.8 p -82.72 178.31 8.25 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.355 1.034 . . . . 0.0 110.429 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 12' ' ' ALA . . . . . 0.453 ' HB3' ' CE2' ' A' ' 81' ' ' TYR . . . -68.0 -12.12 60.18 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.424 1.077 . . . . 0.0 109.322 179.941 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -94.7 16.4 15.79 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.434 1.083 . . . . 0.0 109.282 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 55.23 34.89 23.69 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.491 1.119 . . . . 0.0 109.252 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 15' ' ' ARG . . . . . 0.405 ' O ' ' HA ' ' A' ' 10' ' ' LYS . 0.7 OUTLIER -111.76 152.73 44.35 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.52 1.137 . . . . 0.0 110.36 179.973 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 17.9 Cg_endo -74.93 133.79 17.14 Favored 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.548 1.815 . . . . 0.0 111.004 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.424 ' HB1' HD13 ' A' ' 21' ' ' LEU . . . -54.07 -26.95 29.57 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.444 1.09 . . . . 0.0 109.32 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 44.3 t -51.96 -31.92 31.12 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.52 1.137 . . . . 0.0 110.036 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 55.9 t -59.1 -29.81 42.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.515 1.135 . . . . 0.0 109.326 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 12.2 m-85 -118.38 22.76 11.94 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.485 1.116 . . . . 0.0 110.993 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.424 HD13 ' HB1' ' A' ' 17' ' ' ALA . 0.2 OUTLIER -132.5 106.82 8.08 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.468 1.105 . . . . 0.0 109.329 179.971 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -104.69 115.41 30.27 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.566 1.167 . . . . 0.0 109.361 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.58 51.75 0.37 Allowed 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.523 1.139 . . . . 0.0 109.256 -179.952 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -168.44 28.01 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.556 1.16 . . . . 0.0 109.218 179.922 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 7.4 ptmm? -169.3 161.61 7.59 Favored Pre-proline 0 C--N 1.324 -0.536 0 O-C-N 124.54 1.15 . . . . 0.0 109.37 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 144.74 30.6 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.419 1.747 . . . . 0.0 111.03 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 20.1 m -125.23 140.91 52.43 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.523 1.139 . . . . 0.0 110.44 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.552 HD21 ' CE3' ' A' ' 111' ' ' TRP . 5.3 tp -121.56 136.42 54.95 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.564 1.165 . . . . 0.0 109.309 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.698 ' HB ' ' HB3' ' A' ' 112' ' ' ALA . 1.3 mt -116.18 149.95 18.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.498 1.124 . . . . 0.0 109.292 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.571 ' HB2' ' CZ3' ' A' ' 111' ' ' TRP . 1.2 tttm -136.88 121.64 18.63 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.454 1.096 . . . . 0.0 109.304 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 31' ' ' PHE . . . . . 0.581 ' HB3' ' CE1' ' A' ' 108' ' ' TYR . 61.0 m-85 -94.05 125.83 38.91 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.558 1.161 . . . . 0.0 111.029 179.932 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 32' ' ' TRP . . . . . 0.686 ' CZ3' HD11 ' A' ' 43' ' ' LEU . 9.4 p-90 -131.19 165.75 22.65 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.551 1.157 . . . . 0.0 108.024 179.94 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 33' ' ' ALA . . . . . 0.514 ' HB1' ' CE2' ' A' ' 35' ' ' TRP . . . -132.24 145.64 51.46 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.504 1.127 . . . . 0.0 109.295 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 34' ' ' SER . . . . . 0.732 ' O ' HD11 ' A' ' 40' ' ' LEU . 0.1 OUTLIER -70.29 -24.47 63.04 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.458 1.099 . . . . 0.0 109.955 179.946 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 35' ' ' TRP . . . . . 0.514 ' CE2' ' HB1' ' A' ' 33' ' ' ALA . 20.3 p-90 -81.49 -9.31 59.73 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 108.011 -1.107 . . . . 0.0 108.011 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 50.0 t -93.67 116.57 66.63 Favored Pre-proline 0 C--N 1.324 -0.528 0 O-C-N 124.509 1.131 . . . . 0.0 108.364 179.904 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.91 -48.4 0.18 Allowed 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.49 1.784 . . . . 0.0 111.067 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -52.29 -30.65 29.09 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.521 1.138 . . . . 0.0 109.387 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 2.3 m -77.79 -50.27 12.68 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.543 1.152 . . . . 0.0 108.321 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.732 HD11 ' O ' ' A' ' 34' ' ' SER . 8.7 mt -51.46 -46.92 63.23 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.573 1.171 . . . . 0.0 109.302 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 88.4 p -69.94 -25.24 63.56 Favored 'General case' 0 C--N 1.323 -0.554 0 O-C-N 124.539 1.149 . . . . 0.0 109.967 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -80.23 -24.15 40.4 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.531 1.145 . . . . 0.0 110.261 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.686 HD11 ' CZ3' ' A' ' 32' ' ' TRP . 55.7 mt -44.32 -53.14 7.01 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.496 1.122 . . . . 0.0 109.355 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -56.09 -50.06 63.93 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.524 1.14 . . . . 0.0 110.95 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 1.3 tt0 -62.75 -31.29 72.2 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.469 0.747 . . . . 0.0 110.321 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 46' ' ' THR . . . . . 0.427 ' O ' ' CB ' ' A' ' 50' ' ' ALA . 29.3 m -67.46 -33.37 74.99 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.487 1.117 . . . . 0.0 110.423 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 26.6 tt0 -70.08 -40.23 75.13 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.44 1.087 . . . . 0.0 110.271 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 27.4 tttt -70.71 -35.52 72.78 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.556 1.16 . . . . 0.0 109.326 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 49' ' ' TRP . . . . . 0.612 ' O ' ' CD2' ' A' ' 55' ' ' PHE . 44.8 m0 -77.69 -42.49 34.36 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.574 1.172 . . . . 0.0 107.918 -179.925 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.427 ' CB ' ' O ' ' A' ' 46' ' ' THR . . . -65.87 -14.36 61.34 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.489 1.118 . . . . 0.0 109.331 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 1.3 pp0? -113.95 6.21 16.47 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.564 1.165 . . . . 0.0 110.246 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 52' ' ' ASP . . . . . 0.427 ' OD2' ' CD1' ' A' ' 55' ' ' PHE . 18.5 t0 -67.04 142.5 57.16 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.54 1.15 . . . . 0.0 109.358 179.905 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -63.0 -51.94 64.91 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.535 1.147 . . . . 0.0 109.325 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 54' ' ' LYS . . . . . 0.459 ' HB3' ' CD2' ' A' ' 134' ' ' LEU . 27.4 mmtm -51.84 -32.77 33.25 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.522 1.139 . . . . 0.0 109.285 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 55' ' ' PHE . . . . . 0.612 ' CD2' ' O ' ' A' ' 49' ' ' TRP . 3.2 m-85 -77.08 -27.12 54.12 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.538 1.149 . . . . 0.0 110.957 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -45.01 -27.11 0.51 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.511 1.132 . . . . 0.0 109.967 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 57' ' ' SER . . . . . 0.403 ' N ' ' C ' ' A' ' 55' ' ' PHE . 49.8 m -52.45 -58.24 7.33 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 0.0 109.961 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 58' ' ' ALA . . . . . 0.417 ' O ' ' O ' ' A' ' 55' ' ' PHE . . . -110.59 166.62 10.86 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.557 1.16 . . . . 0.0 109.332 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 91.8 m-20 -88.1 135.33 33.48 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.585 1.178 . . . . 0.0 109.302 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.758 HD23 ' N ' ' A' ' 61' ' ' ILE . 3.8 tt -127.24 126.93 43.59 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.475 1.109 . . . . 0.0 109.267 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.758 ' N ' HD23 ' A' ' 60' ' ' LEU . 0.2 OUTLIER -150.81 160.79 3.92 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.518 1.136 . . . . 0.0 109.355 179.959 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 62' ' ' THR . . . . . 0.453 ' HB ' ' CD1' ' A' ' 32' ' ' TRP . 7.3 p -108.07 151.14 26.26 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.42 1.075 . . . . 0.0 110.339 -179.954 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 63' ' ' VAL . . . . . 0.44 HG22 ' HB ' ' A' ' 92' ' ' VAL . 2.6 t -124.72 143.98 36.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.548 1.155 . . . . 0.0 109.267 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 64' ' ' ALA . . . . . 0.446 ' N ' ' O ' ' A' ' 92' ' ' VAL . . . -133.86 148.31 51.26 Favored 'General case' 0 C--N 1.327 -0.401 0 O-C-N 124.436 1.085 . . . . 0.0 109.334 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 65' ' ' SER . . . . . 0.47 ' CB ' ' HB3' ' A' ' 68' ' ' PHE . 10.9 m -120.27 108.28 38.24 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.432 1.082 . . . . 0.0 109.985 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 66' ' ' PRO . . . . . 0.426 ' HA ' ' O ' ' A' ' 72' ' ' LYS . 18.3 Cg_endo -75.0 134.47 17.85 Favored 'Trans proline' 0 C--N 1.359 1.082 0 O-C-N 124.473 1.775 . . . . 0.0 110.998 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 67.46 14.72 64.96 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.518 1.136 . . . . 0.0 110.915 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 68' ' ' PHE . . . . . 0.749 ' CE2' HD23 ' A' ' 69' ' ' LEU . 65.7 t80 -124.22 145.97 49.02 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.526 0.78 . . . . 0.0 111.017 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.749 HD23 ' CE2' ' A' ' 68' ' ' PHE . 0.2 OUTLIER 54.34 47.2 23.49 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.503 1.127 . . . . 0.0 109.285 179.927 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 18.3 m-70 50.97 41.0 26.66 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.515 1.134 . . . . 0.0 109.624 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 71' ' ' GLU . . . . . 0.423 ' CB ' ' O ' ' A' ' 68' ' ' PHE . 14.5 tp10 -103.75 161.27 14.07 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.49 1.119 . . . . 0.0 110.327 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 72' ' ' LYS . . . . . 0.426 ' O ' ' HA ' ' A' ' 66' ' ' PRO . 6.9 mmtt -57.39 132.14 52.19 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.422 1.076 . . . . 0.0 109.314 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 47.4 mtmt -62.69 158.6 18.08 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.521 1.138 . . . . 0.0 109.262 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -49.2 157.92 0.41 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.536 1.148 . . . . 0.0 109.306 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 76.68 -53.33 3.26 Favored Glycine 0 CA--C 1.531 1.061 0 O-C-N 124.481 1.113 . . . . 0.0 110.975 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -61.24 -52.03 66.46 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.533 0.784 . . . . 0.0 109.315 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 35.1 t80 -59.62 -27.36 66.25 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.555 1.159 . . . . 0.0 110.874 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 5.6 mt-30 -70.78 -28.73 64.88 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.496 1.123 . . . . 0.0 110.253 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.42 -39.57 62.54 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.475 1.109 . . . . 0.0 109.346 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 80' ' ' TRP . . . . . 0.575 ' CE3' ' OG ' ' A' ' 34' ' ' SER . 3.7 t90 -59.7 -53.5 57.24 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 107.932 -1.136 . . . . 0.0 107.932 -179.855 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 81' ' ' TYR . . . . . 0.453 ' CE2' ' HB3' ' A' ' 12' ' ' ALA . 1.7 t80 -54.32 -33.01 57.98 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.451 1.094 . . . . 0.0 110.942 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -70.74 -8.34 51.51 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.465 1.103 . . . . 0.0 109.251 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -118.02 -0.07 17.08 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.499 1.124 . . . . 0.0 110.992 179.931 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.552 HD13 HD13 ' A' ' 43' ' ' LEU . 11.0 mt -84.51 137.91 33.07 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.451 0.736 . . . . 0.0 109.247 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 4.9 m120 -72.56 177.01 4.94 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.567 1.167 . . . . 0.0 109.353 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 86' ' ' TYR . . . . . 0.45 ' N ' ' HD3' ' A' ' 87' ' ' PRO . 9.6 m-85 51.68 60.97 13.29 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.463 1.102 . . . . 0.0 111.001 -179.94 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 87' ' ' PRO . . . . . 0.45 ' HD3' ' N ' ' A' ' 86' ' ' TYR . 18.4 Cg_endo -75.04 44.73 1.22 Allowed 'Trans proline' 0 C--N 1.361 1.207 0 O-C-N 124.512 1.796 . . . . 0.0 111.018 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 88' ' ' LYS . . . . . 0.4 ' H ' ' C ' ' A' ' 86' ' ' TYR . 0.0 OUTLIER -133.37 6.09 3.81 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.497 1.123 . . . . 0.0 109.23 -179.972 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 0.518 ' CD2' HG23 ' A' ' 91' ' ' VAL . 0.0 OUTLIER -94.43 146.28 31.23 Favored Pre-proline 0 C--N 1.324 -0.521 0 O-C-N 124.529 1.143 . . . . 0.0 109.232 -179.925 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.96 127.82 11.02 Favored 'Trans proline' 0 C--N 1.361 1.21 0 O-C-N 124.469 1.773 . . . . 0.0 110.999 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 91' ' ' VAL . . . . . 0.518 HG23 ' CD2' ' A' ' 89' ' ' LEU . 37.1 t -139.13 118.64 13.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.54 1.15 . . . . 0.0 109.312 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 92' ' ' VAL . . . . . 0.592 HG22 HG22 ' A' ' 11' ' ' THR . 80.5 t -107.97 143.22 18.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 O-C-N 124.514 1.134 . . . . 0.0 109.252 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 3.1 p -128.15 116.07 19.37 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.434 1.084 . . . . 0.0 110.413 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 94' ' ' ASP . . . . . 0.449 ' HA ' HD11 ' A' ' 9' ' ' LEU . 60.8 t0 -114.89 111.47 21.24 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.448 1.093 . . . . 0.0 109.29 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -57.91 112.3 1.45 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.521 1.138 . . . . 0.0 109.256 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 86.29 -16.3 44.78 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.499 1.124 . . . . 0.0 111.042 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 61.35 67.28 2.19 Favored Glycine 0 CA--C 1.53 1.002 0 N-CA-C 111.001 -0.84 . . . . 0.0 111.001 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 98' ' ' THR . . . . . 0.473 ' O ' ' CB ' ' A' ' 102' ' ' SER . 1.3 m -60.04 -30.3 69.09 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.515 0.773 . . . . 0.0 110.37 -179.952 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 3.3 mt -80.77 -36.14 15.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.431 1.082 . . . . 0.0 109.282 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 100' ' ' ALA . . . . . 0.467 ' HA ' HD12 ' A' ' 105' ' ' ILE . . . -74.18 -38.48 63.64 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.497 1.123 . . . . 0.0 109.309 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 2.5 tt0 -77.38 -32.82 55.18 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.472 1.107 . . . . 0.0 110.288 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 102' ' ' SER . . . . . 0.473 ' CB ' ' O ' ' A' ' 98' ' ' THR . 29.0 t -72.68 -20.67 61.2 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.421 1.076 . . . . 0.0 109.99 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 103' ' ' LEU . . . . . 0.41 HD21 HG21 ' A' ' 120' ' ' VAL . 80.6 mt -106.12 -7.48 17.93 Favored 'General case' 0 C--N 1.327 -0.411 0 O-C-N 124.413 1.071 . . . . 0.0 109.325 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 58.5 t30 65.7 55.99 0.95 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.5 1.125 . . . . 0.0 109.366 -179.919 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 105' ' ' ILE . . . . . 0.543 ' CD1' ' CZ ' ' A' ' 31' ' ' PHE . 79.1 mt -97.14 117.55 41.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.468 1.105 . . . . 0.0 109.285 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 5.2 p -142.1 30.9 1.59 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.481 1.113 . . . . 0.0 110.01 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 1.5 p -147.35 132.32 11.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.53 1.144 . . . . 0.0 109.271 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 108' ' ' TYR . . . . . 0.581 ' CE1' ' HB3' ' A' ' 31' ' ' PHE . 22.5 m-85 -131.42 152.62 80.82 Favored Pre-proline 0 C--N 1.326 -0.44 0 O-C-N 124.497 1.123 . . . . 0.0 111.039 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 109' ' ' PRO . . . . . 0.524 ' C ' ' HA ' ' A' ' 108' ' ' TYR . 18.3 Cg_endo -74.92 167.74 79.48 Favored 'Cis proline' 0 C--N 1.358 1.057 0 C-N-CA 121.047 -2.48 . . . . 0.0 111.043 -0.06 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 110' ' ' SER . . . . . 0.418 ' O ' ' HA ' ' A' ' 30' ' ' LYS . 0.6 OUTLIER -142.82 157.45 44.6 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.51 1.131 . . . . 0.0 110.031 179.965 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 111' ' ' TRP . . . . . 0.571 ' CZ3' ' HB2' ' A' ' 30' ' ' LYS . 93.4 m95 -132.49 140.3 48.3 Favored 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 107.947 -1.131 . . . . 0.0 107.947 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 112' ' ' ALA . . . . . 0.698 ' HB3' ' HB ' ' A' ' 29' ' ' ILE . . . -124.51 138.25 54.35 Favored 'General case' 0 C--N 1.327 -0.398 0 O-C-N 124.525 1.141 . . . . 0.0 109.275 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 113' ' ' LEU . . . . . 0.431 ' O ' HD13 ' A' ' 114' ' ' ILE . 43.3 tp -109.02 134.25 51.92 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.397 1.061 . . . . 0.0 109.295 -179.95 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 114' ' ' ILE . . . . . 0.596 HD13 ' HA ' ' A' ' 120' ' ' VAL . 45.4 mm -123.09 131.15 73.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.537 1.148 . . . . 0.0 109.238 -179.95 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -62.82 172.15 10.77 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.554 1.159 . . . . 0.0 111.04 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.97 -11.78 61.12 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.418 0.717 . . . . 0.0 109.255 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -88.69 -12.47 42.25 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.535 1.147 . . . . 0.0 109.181 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . 88.74 33.31 10.1 Favored Glycine 0 CA--C 1.531 1.075 0 O-C-N 124.552 1.157 . . . . 0.0 111.045 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -124.38 154.01 41.0 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.514 0.773 . . . . 0.0 109.36 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 120' ' ' VAL . . . . . 0.596 ' HA ' HD13 ' A' ' 114' ' ' ILE . 0.3 OUTLIER -54.28 117.96 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.473 1.108 . . . . 0.0 109.348 179.985 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 2.0 tt0 -97.45 -51.71 4.05 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.5 1.125 . . . . 0.0 110.293 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 122' ' ' ARG . . . . . 0.426 ' CD ' ' OD2' ' A' ' 143' ' ' ASP . 0.0 OUTLIER -156.71 140.98 16.55 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.488 1.117 . . . . 0.0 110.328 179.984 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 123' ' ' ILE . . . . . . . . . . . . . 20.6 tt -104.56 138.25 30.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.459 1.099 . . . . 0.0 109.322 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 57.8 t -126.93 138.76 53.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.425 1.078 . . . . 0.0 109.306 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -118.73 126.78 52.64 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.441 1.088 . . . . 0.0 109.31 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . 119.6 -138.96 13.68 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.51 1.131 . . . . 0.0 111.017 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -139.19 157.52 45.79 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.525 0.779 . . . . 0.0 110.04 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 128' ' ' ILE . . . . . 0.41 ' HA ' ' OE1' ' A' ' 132' ' ' GLN . 4.7 pt -129.04 167.0 25.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.584 1.177 . . . . 0.0 109.314 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 129' ' ' ASN . . . . . 0.686 HD22 ' HB3' ' A' ' 131' ' ' ALA . 1.2 p-10 -107.43 163.42 13.06 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.48 1.112 . . . . 0.0 109.188 -179.878 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 130' ' ' GLU . . . . . 0.402 ' HB2' ' CE2' ' A' ' 49' ' ' TRP . 23.4 tt0 -53.61 -34.91 60.11 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.505 1.128 . . . . 0.0 110.314 179.934 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 131' ' ' ALA . . . . . 0.686 ' HB3' HD22 ' A' ' 129' ' ' ASN . . . -65.41 -49.04 70.74 Favored 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.417 1.073 . . . . 0.0 109.241 -179.94 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 132' ' ' GLN . . . . . 0.41 ' OE1' ' HA ' ' A' ' 128' ' ' ILE . 37.2 mt-30 -51.54 -43.75 62.43 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.536 1.148 . . . . 0.0 110.313 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 133' ' ' ALA . . . . . 0.659 ' O ' HD12 ' A' ' 137' ' ' ILE . . . -57.88 -37.11 73.38 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.571 1.17 . . . . 0.0 109.341 179.941 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 134' ' ' LEU . . . . . 0.459 ' CD2' ' HB3' ' A' ' 54' ' ' LYS . 16.8 mt -66.5 -49.83 65.28 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.471 1.107 . . . . 0.0 109.295 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -57.19 -22.34 39.9 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.592 1.183 . . . . 0.0 109.244 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 12.4 tp -79.03 -39.45 33.99 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.556 1.16 . . . . 0.0 109.331 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 137' ' ' ILE . . . . . 0.659 HD12 ' O ' ' A' ' 133' ' ' ALA . 1.6 mp -82.37 -21.57 9.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.519 1.137 . . . . 0.0 109.395 179.89 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 138' ' ' ARG . . . . . 0.446 ' N ' ' O ' ' A' ' 134' ' ' LEU . 0.0 OUTLIER -84.46 -47.25 10.83 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.47 1.106 . . . . 0.0 110.322 -179.976 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 33.9 t0 -113.03 118.88 43.71 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.608 1.192 . . . . 0.0 109.318 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.06 -21.87 15.3 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.503 1.791 . . . . 0.0 111.022 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 141' ' ' ASN . . . . . . . . . . . . . 7.9 m120 -73.35 -21.48 60.53 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.467 1.104 . . . . 0.0 109.32 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -71.76 97.83 1.85 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.468 1.105 . . . . 0.0 109.307 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 143' ' ' ASP . . . . . 0.426 ' OD2' ' CD ' ' A' ' 122' ' ' ARG . 0.3 OUTLIER 64.64 106.65 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.572 1.17 . . . . 0.0 109.323 179.985 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.325 -0.498 0 O-C-N 124.397 1.06 . . . . 0.0 109.327 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 5.5 ttt . . . . . 0 N--CA 1.453 -0.289 0 CA-C-O 120.453 0.168 . . . . 0.0 111.033 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' VAL . . . . . 0.507 HG13 ' HD2' ' A' ' 3' ' ' PRO . 32.1 t -151.69 137.82 11.43 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.533 1.146 . . . . 0.0 109.278 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 3' ' ' PRO . . . . . 0.507 ' HD2' HG13 ' A' ' 2' ' ' VAL . 18.3 Cg_endo -75.07 -36.52 2.46 Favored 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.525 1.802 . . . . 0.0 110.989 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 10.8 t-80 -50.66 -35.93 33.15 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.541 1.15 . . . . 0.0 109.554 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 28.2 p -82.57 -49.63 9.66 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.477 1.111 . . . . 0.0 110.367 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.439 HD23 HD13 ' A' ' 21' ' ' LEU . 3.9 tp -54.9 -49.23 71.74 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.459 1.099 . . . . 0.0 109.27 -179.939 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 17.0 m -59.32 -28.14 66.53 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.568 1.167 . . . . 0.0 110.009 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 1.7 m -78.2 -19.16 54.41 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.531 1.144 . . . . 0.0 110.333 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.421 HD11 ' HA ' ' A' ' 94' ' ' ASP . 2.4 mm? -79.07 148.57 32.39 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.538 1.149 . . . . 0.0 109.285 -179.914 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 2.8 mtmm -118.78 158.18 26.11 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.433 1.083 . . . . 0.0 109.357 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 13.6 p -88.44 -177.61 5.66 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.512 1.132 . . . . 0.0 110.403 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' ALA . . . . . 0.475 ' HB3' ' CE2' ' A' ' 81' ' ' TYR . . . -74.6 -4.42 37.0 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.39 1.056 . . . . 0.0 109.246 -179.954 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -103.51 20.59 17.61 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.546 1.153 . . . . 0.0 109.348 179.87 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 55.72 31.53 17.65 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.497 1.123 . . . . 0.0 109.352 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 38.8 mtt180 -111.89 149.13 40.37 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.528 1.143 . . . . 0.0 110.267 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 132.36 15.33 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.479 1.778 . . . . 0.0 110.988 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -67.65 -16.44 64.16 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.487 1.117 . . . . 0.0 109.256 -179.938 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -60.56 -18.74 54.49 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.518 1.136 . . . . 0.0 109.972 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 71.8 t -74.96 -17.58 16.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.539 1.149 . . . . 0.0 109.301 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' TYR . . . . . 0.475 ' CZ ' ' HB3' ' A' ' 90' ' ' PRO . 27.2 m-85 -103.71 18.66 21.43 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.558 1.162 . . . . 0.0 111.13 179.877 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.82 HD11 HG21 ' A' ' 27' ' ' THR . 0.0 OUTLIER -145.98 120.36 9.64 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.61 1.194 . . . . 0.0 109.232 -179.917 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 22' ' ' LYS . . . . . 0.447 ' CB ' ' O ' ' A' ' 21' ' ' LEU . 1.5 mmtp 168.15 -173.49 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.516 1.135 . . . . 0.0 109.388 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.402 ' O ' ' C ' ' A' ' 24' ' ' ASP . 0.1 OUTLIER 65.41 20.44 11.76 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.48 1.112 . . . . 0.0 109.319 179.994 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 24' ' ' ASP . . . . . 0.402 ' C ' ' O ' ' A' ' 23' ' ' LYS . 0.7 OUTLIER 40.42 39.2 0.66 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.476 1.11 . . . . 0.0 109.313 -179.964 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.411 ' HB2' ' HD2' ' A' ' 26' ' ' PRO . 0.0 OUTLIER -105.54 171.22 5.08 Favored Pre-proline 0 C--N 1.324 -0.539 0 O-C-N 124.508 1.13 . . . . 0.0 109.33 179.965 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 26' ' ' PRO . . . . . 0.411 ' HD2' ' HB2' ' A' ' 25' ' ' LYS . 18.1 Cg_endo -75.01 153.5 41.75 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.484 1.781 . . . . 0.0 111.006 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 27' ' ' THR . . . . . 0.82 HG21 HD11 ' A' ' 21' ' ' LEU . 52.5 m -130.15 140.78 50.73 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.487 1.117 . . . . 0.0 110.416 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 9.6 tp -121.05 121.55 38.17 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.52 1.137 . . . . 0.0 109.242 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.468 ' CG2' HG23 ' A' ' 63' ' ' VAL . 2.8 mt -109.78 147.78 13.9 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 O-C-N 124.43 1.081 . . . . 0.0 109.304 179.924 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.539 ' HB2' ' CE3' ' A' ' 111' ' ' TRP . 7.0 tttp -139.22 129.23 25.08 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.552 1.158 . . . . 0.0 109.28 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 31' ' ' PHE . . . . . 0.535 ' HB3' ' CE1' ' A' ' 108' ' ' TYR . 23.7 m-85 -101.16 146.13 27.9 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.452 1.095 . . . . 0.0 110.988 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 32' ' ' TRP . . . . . 0.586 ' CE3' ' SG ' ' A' ' 39' ' ' CYS . 0.3 OUTLIER -166.34 159.24 14.62 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.544 1.153 . . . . 0.0 108.019 179.985 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 33' ' ' ALA . . . . . 0.559 ' HB1' ' CD1' ' A' ' 35' ' ' TRP . . . -109.74 156.45 20.28 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.507 1.13 . . . . 0.0 109.333 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 34' ' ' SER . . . . . 0.566 ' HB3' ' CZ3' ' A' ' 80' ' ' TRP . 3.7 t -79.47 -19.49 49.66 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.602 1.189 . . . . 0.0 109.98 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 35' ' ' TRP . . . . . 0.559 ' CD1' ' HB1' ' A' ' 33' ' ' ALA . 22.1 p-90 -77.0 -16.64 59.26 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 108.025 -1.102 . . . . 0.0 108.025 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 36' ' ' CYS . . . . . 0.597 ' SG ' HD23 ' A' ' 38' ' ' LEU . 51.1 t -75.19 133.11 75.43 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.518 1.136 . . . . 0.0 108.345 179.89 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 -44.31 0.35 Allowed 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.495 1.787 . . . . 0.0 111.051 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.597 HD23 ' SG ' ' A' ' 36' ' ' CYS . 0.2 OUTLIER -61.07 -33.23 73.0 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.573 1.17 . . . . 0.0 109.33 179.928 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 39' ' ' CYS . . . . . 0.586 ' SG ' ' CE3' ' A' ' 32' ' ' TRP . 7.2 t -64.2 -56.71 12.77 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.601 1.188 . . . . 0.0 108.304 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.401 HD23 HD11 ' A' ' 43' ' ' LEU . 29.1 mt -50.88 -44.39 59.79 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.53 1.144 . . . . 0.0 109.3 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 81.1 p -73.01 -24.99 60.81 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.427 1.079 . . . . 0.0 109.957 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' GLU . . . . . 0.439 ' HG3' HD12 ' A' ' 38' ' ' LEU . 5.1 mt-10 -82.14 -13.79 56.68 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.553 1.158 . . . . 0.0 110.22 -179.888 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.41 ' CD1' HD22 ' A' ' 84' ' ' LEU . 34.5 mt -44.15 -50.85 8.48 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.551 1.157 . . . . 0.0 109.313 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -67.24 -53.92 23.22 Favored Glycine 0 CA--C 1.529 0.931 0 O-C-N 124.579 1.174 . . . . 0.0 110.999 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 15.0 tt0 -51.61 -40.77 60.51 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.473 0.749 . . . . 0.0 110.317 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 60.0 m -67.64 -43.01 81.36 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.564 1.165 . . . . 0.0 110.482 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 47' ' ' GLU . . . . . 0.444 ' CG ' ' HB2' ' A' ' 89' ' ' LEU . 47.2 tt0 -71.43 -28.63 64.12 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.5 1.125 . . . . 0.0 110.291 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 5.7 tttt -77.79 -36.47 50.37 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.393 1.058 . . . . 0.0 109.307 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 49' ' ' TRP . . . . . . . . . . . . . 19.6 m0 -68.49 -41.6 79.84 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.507 1.129 . . . . 0.0 108.017 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -63.73 -13.12 40.64 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.483 1.114 . . . . 0.0 109.359 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 2.9 mm-40 -100.06 -17.83 17.28 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.473 1.108 . . . . 0.0 110.272 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 52' ' ' ASP . . . . . 0.6 ' OD1' ' CD1' ' A' ' 55' ' ' PHE . 6.4 t0 -59.11 123.38 16.44 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.496 1.122 . . . . 0.0 109.245 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -55.06 -50.03 70.14 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.519 1.137 . . . . 0.0 109.259 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 9.1 mtpp -49.06 -46.04 43.89 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.58 1.175 . . . . 0.0 109.296 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 55' ' ' PHE . . . . . 0.6 ' CD1' ' OD1' ' A' ' 52' ' ' ASP . 14.5 m-30 -76.88 -27.82 55.14 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.48 1.113 . . . . 0.0 110.977 -179.944 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 56' ' ' SER . . . . . 0.44 ' N ' ' O ' ' A' ' 52' ' ' ASP . 14.3 t -45.98 -39.95 9.71 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.47 1.106 . . . . 0.0 110.008 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 57' ' ' SER . . . . . 0.402 ' C ' ' O ' ' A' ' 56' ' ' SER . 71.2 m -38.8 -64.43 0.44 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.395 1.06 . . . . 0.0 109.98 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -88.29 166.05 14.58 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.525 1.141 . . . . 0.0 109.29 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 59' ' ' ASN . . . . . 0.734 ' HB2' HG23 ' A' ' 27' ' ' THR . 0.8 OUTLIER -88.58 122.21 31.79 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.563 1.164 . . . . 0.0 109.263 -179.97 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.829 HD23 ' N ' ' A' ' 61' ' ' ILE . 3.3 tt -112.96 129.58 56.43 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.495 1.122 . . . . 0.0 109.301 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.829 ' N ' HD23 ' A' ' 60' ' ' LEU . 1.0 OUTLIER -153.4 163.0 2.0 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.622 1.201 . . . . 0.0 109.241 -179.954 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 62' ' ' THR . . . . . 0.453 HG23 ' O ' ' A' ' 90' ' ' PRO . 6.2 p -112.78 158.86 19.59 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.489 1.118 . . . . 0.0 110.489 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 63' ' ' VAL . . . . . 0.468 HG23 ' CG2' ' A' ' 29' ' ' ILE . 45.4 t -123.35 138.59 52.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.495 1.122 . . . . 0.0 109.268 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 64' ' ' ALA . . . . . 0.409 ' O ' ' HA ' ' A' ' 93' ' ' THR . . . -134.34 123.5 24.25 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.511 1.132 . . . . 0.0 109.204 -179.913 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 65' ' ' SER . . . . . 0.4 ' CB ' ' HB3' ' A' ' 68' ' ' PHE . 5.1 t -103.45 107.59 56.45 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.47 1.106 . . . . 0.0 110.055 179.947 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -75.01 136.99 21.1 Favored 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.476 1.777 . . . . 0.0 111.026 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 68.31 10.8 60.56 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.492 1.12 . . . . 0.0 110.981 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 68' ' ' PHE . . . . . 0.595 ' CE2' HD23 ' A' ' 69' ' ' LEU . 76.9 t80 -127.44 136.71 52.19 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.58 0.812 . . . . 0.0 111.056 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.595 HD23 ' CE2' ' A' ' 68' ' ' PHE . 0.2 OUTLIER 66.94 47.49 1.42 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.487 1.117 . . . . 0.0 109.294 179.994 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER 54.44 26.72 7.38 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.471 1.107 . . . . 0.0 109.555 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 71' ' ' GLU . . . . . 0.422 ' HG3' ' N ' ' A' ' 72' ' ' LYS . 26.6 tp10 -87.93 162.41 16.91 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.571 1.17 . . . . 0.0 110.316 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 72' ' ' LYS . . . . . 0.422 ' N ' ' HG3' ' A' ' 71' ' ' GLU . 0.4 OUTLIER -69.95 137.81 51.8 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.443 1.089 . . . . 0.0 109.267 179.972 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.06 156.74 20.61 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.559 1.162 . . . . 0.0 109.324 179.89 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -50.45 162.09 0.26 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.479 1.112 . . . . 0.0 109.269 179.945 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 78.84 -51.66 3.82 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.531 1.144 . . . . 0.0 111.023 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -68.91 -50.93 45.26 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.519 0.776 . . . . 0.0 109.267 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 77' ' ' PHE . . . . . 0.431 ' CE2' ' HB2' ' A' ' 34' ' ' SER . 12.0 t80 -58.18 -26.44 62.76 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.495 1.122 . . . . 0.0 110.97 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 7.9 mt-30 -70.11 -43.66 70.58 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.523 1.139 . . . . 0.0 110.231 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.57 -26.98 62.84 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.497 1.123 . . . . 0.0 109.299 -179.934 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 80' ' ' TRP . . . . . 0.566 ' CZ3' ' HB3' ' A' ' 34' ' ' SER . 7.5 t90 -73.98 -43.44 58.13 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.506 1.129 . . . . 0.0 107.99 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 81' ' ' TYR . . . . . 0.475 ' CE2' ' HB3' ' A' ' 12' ' ' ALA . 0.9 OUTLIER -67.57 -27.99 67.4 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.487 1.117 . . . . 0.0 111.003 179.975 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -65.15 -12.71 53.97 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.375 1.047 . . . . 0.0 109.316 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -123.79 24.36 6.42 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.458 1.099 . . . . 0.0 111.012 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.451 HD11 ' CD1' ' A' ' 80' ' ' TRP . 67.9 mt -123.41 118.19 26.9 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.547 0.792 . . . . 0.0 109.407 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER 49.8 -175.83 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.566 1.166 . . . . 0.0 109.256 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 86' ' ' TYR . . . . . 0.411 ' C ' ' H ' ' A' ' 88' ' ' LYS . 85.6 m-85 -83.68 158.76 62.19 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.465 1.103 . . . . 0.0 110.977 -179.931 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.92 44.71 1.2 Allowed 'Trans proline' 0 C--N 1.358 1.076 0 O-C-N 124.555 1.818 . . . . 0.0 110.985 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 88' ' ' LYS . . . . . 0.411 ' H ' ' C ' ' A' ' 86' ' ' TYR . 0.0 OUTLIER -127.45 -0.05 6.27 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.472 1.108 . . . . 0.0 109.258 179.994 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 0.812 HD12 ' HD2' ' A' ' 90' ' ' PRO . 1.3 tp -95.15 132.84 27.16 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.573 1.17 . . . . 0.0 109.333 179.936 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 90' ' ' PRO . . . . . 0.812 ' HD2' HD12 ' A' ' 89' ' ' LEU . 18.2 Cg_endo -75.1 128.86 11.73 Favored 'Trans proline' 0 C--N 1.361 1.205 0 O-C-N 124.484 1.781 . . . . 0.0 110.997 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 98.4 t -150.45 119.4 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.537 1.148 . . . . 0.0 109.335 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 52.4 t -105.97 129.33 59.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.511 1.132 . . . . 0.0 109.361 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 93' ' ' THR . . . . . 0.409 ' HA ' ' O ' ' A' ' 64' ' ' ALA . 1.7 p -108.97 112.14 24.18 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.49 1.119 . . . . 0.0 110.425 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 94' ' ' ASP . . . . . 0.476 ' OD2' HD12 ' A' ' 99' ' ' ILE . 62.6 t0 -114.69 110.76 20.24 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.532 1.145 . . . . 0.0 109.318 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 38.8 t-20 -59.0 116.25 3.68 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.543 1.152 . . . . 0.0 109.308 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 87.91 -21.16 24.82 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.461 1.101 . . . . 0.0 110.99 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 66.87 68.04 1.79 Allowed Glycine 0 CA--C 1.531 1.032 0 N-CA-C 111.027 -0.829 . . . . 0.0 111.027 179.909 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 98' ' ' THR . . . . . 0.501 ' O ' ' CB ' ' A' ' 102' ' ' SER . 1.5 m -61.45 -32.71 72.7 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.604 0.826 . . . . 0.0 110.437 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 99' ' ' ILE . . . . . 0.476 HD12 ' OD2' ' A' ' 94' ' ' ASP . 2.9 mt -78.54 -35.75 19.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 O-C-N 124.45 1.094 . . . . 0.0 109.318 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -70.39 -51.95 26.0 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.532 1.145 . . . . 0.0 109.309 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 11.0 pt20 -68.23 -28.31 67.12 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.437 1.085 . . . . 0.0 110.267 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 102' ' ' SER . . . . . 0.501 ' CB ' ' O ' ' A' ' 98' ' ' THR . 2.1 t -60.8 -39.61 89.56 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.503 1.127 . . . . 0.0 109.998 179.919 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 103' ' ' LEU . . . . . 0.687 HD13 HD12 ' A' ' 123' ' ' ILE . 11.1 mt -101.48 6.52 42.42 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.527 1.142 . . . . 0.0 109.299 -179.919 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 24.5 t-20 59.86 58.51 2.76 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.449 1.093 . . . . 0.0 109.338 -179.928 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 105' ' ' ILE . . . . . 0.468 ' CD1' ' CB ' ' A' ' 103' ' ' LEU . 1.7 mp -89.45 114.52 27.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.531 1.144 . . . . 0.0 109.273 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 51.8 p -138.86 25.29 2.55 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.488 1.117 . . . . 0.0 109.915 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 1.4 p -146.16 132.66 14.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 O-C-N 124.589 1.18 . . . . 0.0 109.314 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 108' ' ' TYR . . . . . 0.541 ' HA ' ' C ' ' A' ' 109' ' ' PRO . 13.8 m-30 -129.2 153.11 80.38 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.409 1.068 . . . . 0.0 111.02 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 109' ' ' PRO . . . . . 0.541 ' C ' ' HA ' ' A' ' 108' ' ' TYR . 18.1 Cg_endo -75.02 170.01 73.01 Favored 'Cis proline' 0 C--N 1.36 1.169 0 C-N-CA 120.948 -2.522 . . . . 0.0 110.957 0.004 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 110' ' ' SER . . . . . 0.416 ' O ' ' HA ' ' A' ' 30' ' ' LYS . 0.1 OUTLIER -136.84 162.7 32.5 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.507 1.13 . . . . 0.0 110.051 179.984 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 111' ' ' TRP . . . . . 0.539 ' CE3' ' HB2' ' A' ' 30' ' ' LYS . 78.4 m95 -142.5 142.77 32.31 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.537 1.148 . . . . 0.0 107.903 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 112' ' ' ALA . . . . . 0.415 ' HB3' ' HB ' ' A' ' 29' ' ' ILE . . . -135.94 135.22 39.45 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.492 1.12 . . . . 0.0 109.313 179.923 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 34.8 tp -108.5 133.41 52.69 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.459 1.1 . . . . 0.0 109.369 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 114' ' ' ILE . . . . . 0.459 ' CG2' ' HA2' ' A' ' 118' ' ' GLY . 22.2 mm -120.22 115.44 47.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 O-C-N 124.518 1.136 . . . . 0.0 109.315 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -44.88 170.52 0.01 OUTLIER Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.531 1.144 . . . . 0.0 110.98 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 1.7 ptmt -70.18 -11.14 60.69 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.422 0.719 . . . . 0.0 109.331 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -90.73 -24.27 20.45 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.511 1.132 . . . . 0.0 109.34 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 118' ' ' GLY . . . . . 0.459 ' HA2' ' CG2' ' A' ' 114' ' ' ILE . . . 104.54 20.51 10.09 Favored Glycine 0 CA--C 1.532 1.094 0 O-C-N 124.408 1.068 . . . . 0.0 110.944 179.923 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 2.3 p-10 -108.11 149.24 28.74 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.596 0.821 . . . . 0.0 109.315 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 73.9 t -54.14 111.5 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.53 1.144 . . . . 0.0 109.345 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 1.2 tp-100 -89.35 -55.04 3.82 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.483 1.114 . . . . 0.0 110.225 -179.908 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 1.8 ttm180 -154.29 153.53 31.84 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.486 1.117 . . . . 0.0 110.255 -179.936 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 123' ' ' ILE . . . . . 0.687 HD12 HD13 ' A' ' 103' ' ' LEU . 11.8 tt -122.62 134.78 64.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.425 1.078 . . . . 0.0 109.275 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 53.9 t -125.81 135.87 62.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.523 1.14 . . . . 0.0 109.295 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -118.58 117.63 29.51 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.493 1.121 . . . . 0.0 109.314 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . 129.92 -147.6 18.11 Favored Glycine 0 CA--C 1.529 0.921 0 O-C-N 124.495 1.122 . . . . 0.0 110.987 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 1.2 m -124.23 141.51 52.0 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.465 0.744 . . . . 0.0 110.011 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 128' ' ' ILE . . . . . 0.404 ' HA ' ' OE1' ' A' ' 132' ' ' GLN . 14.5 pt -116.41 165.48 11.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.477 1.111 . . . . 0.0 109.337 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 129' ' ' ASN . . . . . 0.805 ' ND2' ' HB3' ' A' ' 131' ' ' ALA . 2.3 p-10 -106.97 171.02 7.6 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.462 1.101 . . . . 0.0 109.286 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -59.58 -34.39 72.65 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.421 1.076 . . . . 0.0 110.351 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 131' ' ' ALA . . . . . 0.805 ' HB3' ' ND2' ' A' ' 129' ' ' ASN . . . -64.27 -51.75 62.0 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.435 1.084 . . . . 0.0 109.277 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 132' ' ' GLN . . . . . 0.452 ' O ' ' HB3' ' A' ' 135' ' ' ALA . 38.3 mt-30 -50.86 -45.98 60.06 Favored 'General case' 0 C--N 1.327 -0.397 0 O-C-N 124.501 1.125 . . . . 0.0 110.264 -179.885 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -52.35 -50.05 63.11 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.455 1.097 . . . . 0.0 109.296 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 19.1 mt -53.45 -40.92 65.6 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.576 1.172 . . . . 0.0 109.312 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 135' ' ' ALA . . . . . 0.452 ' HB3' ' O ' ' A' ' 132' ' ' GLN . . . -60.35 -36.47 78.08 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.534 1.146 . . . . 0.0 109.304 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 19.6 mt -63.17 -49.47 74.19 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.506 1.129 . . . . 0.0 109.235 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 137' ' ' ILE . . . . . . . . . . . . . 5.0 mt -67.78 -22.29 28.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.461 1.1 . . . . 0.0 109.244 -179.933 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -82.21 -47.55 12.33 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.523 1.14 . . . . 0.0 110.247 -179.88 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 15.5 t0 -158.5 127.51 3.08 Favored Pre-proline 0 C--N 1.327 -0.407 0 O-C-N 124.469 1.106 . . . . 0.0 109.239 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 -10.05 21.12 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.484 1.781 . . . . 0.0 111.078 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 141' ' ' ASN . . . . . . . . . . . . . 85.8 m-20 -82.53 -25.08 33.72 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.485 1.116 . . . . 0.0 109.314 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -52.19 151.55 3.8 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.503 1.127 . . . . 0.0 109.297 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 143' ' ' ASP . . . . . . . . . . . . . 19.1 t70 68.28 151.28 0.08 Allowed 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.479 1.112 . . . . 0.0 109.291 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.325 -0.465 0 O-C-N 124.423 1.077 . . . . 0.0 109.268 179.917 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.332 0 CA-C-O 120.445 0.164 . . . . 0.0 111.042 . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 2' ' ' VAL . . . . . 0.866 HG12 ' CB ' ' A' ' 5' ' ' THR . 2.7 t 43.48 64.46 6.68 Favored Pre-proline 0 C--N 1.324 -0.522 0 O-C-N 124.532 1.145 . . . . 0.0 109.323 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 3' ' ' PRO . . . . . 0.418 ' HD3' ' N ' ' A' ' 2' ' ' VAL . 18.1 Cg_endo -75.04 -45.51 0.28 Allowed 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.527 1.804 . . . . 0.0 110.997 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -52.86 -29.23 26.93 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.51 1.131 . . . . 0.0 109.63 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.866 ' CB ' HG12 ' A' ' 2' ' ' VAL . 22.8 m -74.87 -48.98 22.06 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.492 1.12 . . . . 0.0 110.423 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.41 ' HA ' HD23 ' A' ' 9' ' ' LEU . 13.3 mt -67.96 -32.84 73.54 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.447 1.092 . . . . 0.0 109.284 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -61.16 -23.55 65.64 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.594 1.184 . . . . 0.0 109.866 -179.918 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 97.6 m -71.75 -14.34 61.98 Favored 'General case' 0 C--N 1.323 -0.563 0 O-C-N 124.511 1.132 . . . . 0.0 110.371 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.655 ' O ' ' HB2' ' A' ' 17' ' ' ALA . 0.5 OUTLIER -83.8 91.95 7.64 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.505 1.128 . . . . 0.0 109.286 179.955 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 3.9 mmtp -90.72 147.9 22.94 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.465 1.103 . . . . 0.0 109.297 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' THR . . . . . 0.561 HG22 HG22 ' A' ' 92' ' ' VAL . 16.0 p -82.87 170.77 14.62 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.466 1.104 . . . . 0.0 110.406 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 12' ' ' ALA . . . . . 0.486 ' HB3' ' CE2' ' A' ' 81' ' ' TYR . . . -62.65 -15.42 51.92 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.559 1.162 . . . . 0.0 109.309 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -87.8 10.46 18.37 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.382 1.051 . . . . 0.0 109.281 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 60.32 37.02 20.5 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.471 1.107 . . . . 0.0 109.33 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 3.7 mtm-85 -116.08 149.44 43.41 Favored Pre-proline 0 C--N 1.324 -0.543 0 O-C-N 124.573 1.171 . . . . 0.0 110.325 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 133.82 17.12 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.439 1.757 . . . . 0.0 111.038 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.655 ' HB2' ' O ' ' A' ' 9' ' ' LEU . . . -53.8 -29.3 39.89 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.498 1.124 . . . . 0.0 109.318 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 1.8 t -51.21 -32.61 24.43 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.546 1.154 . . . . 0.0 110.035 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 85.7 t -54.23 -34.79 28.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.47 1.106 . . . . 0.0 109.263 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 27.5 m-85 -117.19 20.01 13.91 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.541 1.151 . . . . 0.0 110.979 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -113.51 121.58 44.69 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.479 1.112 . . . . 0.0 109.263 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 2.9 mmtt -117.28 129.74 56.1 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.478 1.111 . . . . 0.0 109.267 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.96 17.79 2.28 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.514 1.134 . . . . 0.0 109.284 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 2.2 p30 -144.45 18.18 1.69 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.529 1.143 . . . . 0.0 109.297 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.421 ' NZ ' ' O ' ' A' ' 57' ' ' SER . 2.1 mmtp -146.66 154.45 48.16 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.498 1.124 . . . . 0.0 109.335 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.94 145.85 32.18 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.498 1.788 . . . . 0.0 111.044 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 84.9 m -122.7 122.24 38.29 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.491 1.119 . . . . 0.0 110.427 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.568 HD12 ' HA ' ' A' ' 113' ' ' LEU . 2.8 tp -106.98 131.45 54.03 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.482 1.114 . . . . 0.0 109.275 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.772 ' HB ' ' HB3' ' A' ' 112' ' ' ALA . 2.2 mt -115.29 147.28 18.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.535 1.147 . . . . 0.0 109.31 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.504 ' HD2' ' CE2' ' A' ' 111' ' ' TRP . 14.4 tttt -138.02 114.93 10.75 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.518 1.136 . . . . 0.0 109.37 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 31' ' ' PHE . . . . . 0.573 ' HB3' ' CE1' ' A' ' 108' ' ' TYR . 51.0 m-85 -86.76 123.18 31.63 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.491 1.119 . . . . 0.0 111.074 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 32' ' ' TRP . . . . . 0.931 ' CZ3' HD11 ' A' ' 43' ' ' LEU . 3.3 p-90 -123.17 168.62 12.17 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.512 1.132 . . . . 0.0 108.01 -179.94 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 33' ' ' ALA . . . . . 0.788 ' HB1' ' CE2' ' A' ' 35' ' ' TRP . . . -133.5 124.01 26.22 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.466 1.104 . . . . 0.0 109.299 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 34' ' ' SER . . . . . 0.561 ' OG ' ' CE3' ' A' ' 80' ' ' TRP . 0.3 OUTLIER -56.45 -21.28 24.45 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.417 1.073 . . . . 0.0 109.986 179.997 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 35' ' ' TRP . . . . . 0.788 ' CE2' ' HB1' ' A' ' 33' ' ' ALA . 16.2 p-90 -85.61 -21.19 28.58 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 107.988 -1.115 . . . . 0.0 107.988 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 36' ' ' CYS . . . . . 0.401 ' N ' ' O ' ' A' ' 33' ' ' ALA . 44.9 t -81.63 114.42 49.82 Favored Pre-proline 0 C--N 1.324 -0.514 0 O-C-N 124.551 1.157 . . . . 0.0 108.273 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.04 -41.62 0.62 Allowed 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.501 1.79 . . . . 0.0 111.027 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 1.8 tm? -59.27 -28.22 66.53 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.554 1.159 . . . . 0.0 109.302 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' CYS . . . . . 0.404 ' O ' ' N ' ' A' ' 43' ' ' LEU . 19.2 m -77.11 -53.04 8.27 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.576 1.173 . . . . 0.0 108.358 179.929 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.598 HD23 HD12 ' A' ' 43' ' ' LEU . 4.8 mt -51.38 -43.1 61.79 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.502 1.127 . . . . 0.0 109.266 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 5.3 p -69.27 -25.72 64.4 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.479 1.112 . . . . 0.0 109.997 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' GLU . . . . . 0.401 ' HG2' ' NZ ' ' A' ' 30' ' ' LYS . 1.8 tp10 -86.22 -20.81 27.96 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.521 1.138 . . . . 0.0 110.343 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.931 HD11 ' CZ3' ' A' ' 32' ' ' TRP . 60.2 mt -51.95 -54.82 25.11 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.544 1.153 . . . . 0.0 109.292 -179.929 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -48.88 -49.97 27.69 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.595 1.184 . . . . 0.0 110.982 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -57.28 -35.78 70.2 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.511 0.771 . . . . 0.0 110.348 179.917 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 86.7 m -70.16 -39.44 75.32 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.476 1.11 . . . . 0.0 110.425 179.934 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 47' ' ' GLU . . . . . 0.487 ' OE1' HD12 ' A' ' 89' ' ' LEU . 4.4 tt0 -53.81 -42.18 68.11 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.506 1.128 . . . . 0.0 110.326 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -71.88 -36.63 70.12 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.567 1.167 . . . . 0.0 109.286 179.915 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 49' ' ' TRP . . . . . . . . . . . . . 39.2 m0 -64.49 -34.71 78.84 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 107.998 -1.112 . . . . 0.0 107.998 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -70.14 -8.74 52.12 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.555 1.159 . . . . 0.0 109.32 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 59.4 mt-30 -111.57 -12.2 13.96 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.449 1.093 . . . . 0.0 110.322 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 52' ' ' ASP . . . . . 0.454 ' HB3' ' CD2' ' A' ' 55' ' ' PHE . 34.5 t0 -63.2 120.55 11.72 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.502 1.126 . . . . 0.0 109.262 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -56.05 -43.49 77.95 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.405 1.066 . . . . 0.0 109.285 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.99 -46.64 71.79 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.527 1.142 . . . . 0.0 109.351 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 55' ' ' PHE . . . . . 0.454 ' CD2' ' HB3' ' A' ' 52' ' ' ASP . 16.1 m-30 -77.64 -28.97 51.49 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.518 1.136 . . . . 0.0 111.002 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 56' ' ' SER . . . . . 0.433 ' O ' ' N ' ' A' ' 58' ' ' ALA . 69.1 m -46.73 -40.4 13.34 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.449 1.093 . . . . 0.0 109.945 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 57' ' ' SER . . . . . 0.421 ' O ' ' NZ ' ' A' ' 25' ' ' LYS . 13.7 t -39.39 -29.69 0.05 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.568 1.167 . . . . 0.0 110.04 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 58' ' ' ALA . . . . . 0.433 ' N ' ' O ' ' A' ' 56' ' ' SER . . . -123.92 166.16 16.15 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.555 1.159 . . . . 0.0 109.304 -179.95 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 28.6 m-20 -88.36 128.64 35.51 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.421 1.075 . . . . 0.0 109.322 179.925 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.768 HD23 ' N ' ' A' ' 61' ' ' ILE . 3.0 tt -120.84 125.06 46.56 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.558 1.161 . . . . 0.0 109.301 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.768 ' N ' HD23 ' A' ' 60' ' ' LEU . 2.9 pt -154.92 162.42 1.86 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.468 1.105 . . . . 0.0 109.348 179.89 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 62' ' ' THR . . . . . 0.498 ' HB ' ' CD1' ' A' ' 32' ' ' TRP . 35.1 p -111.07 155.12 23.27 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.514 1.134 . . . . 0.0 110.356 -179.865 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 63' ' ' VAL . . . . . 0.461 HG23 HG23 ' A' ' 29' ' ' ILE . 2.2 t -121.53 143.71 33.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.572 1.17 . . . . 0.0 109.236 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 64' ' ' ALA . . . . . 0.613 ' CB ' ' CZ ' ' A' ' 77' ' ' PHE . . . -134.68 137.3 43.45 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.591 1.182 . . . . 0.0 109.265 179.949 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 65' ' ' SER . . . . . 0.465 ' CB ' ' HB3' ' A' ' 68' ' ' PHE . 1.5 m -111.97 108.12 55.67 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.419 1.074 . . . . 0.0 110.013 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 66' ' ' PRO . . . . . 0.461 ' HA ' ' O ' ' A' ' 72' ' ' LYS . 18.3 Cg_endo -74.9 134.7 18.31 Favored 'Trans proline' 0 C--N 1.361 1.214 0 O-C-N 124.478 1.778 . . . . 0.0 111.047 179.942 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 66.55 8.15 44.58 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.585 1.178 . . . . 0.0 111.04 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 68' ' ' PHE . . . . . 0.672 ' CE2' HD23 ' A' ' 69' ' ' LEU . 75.1 t80 -126.01 130.32 50.96 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.472 0.748 . . . . 0.0 111.08 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.672 HD23 ' CE2' ' A' ' 68' ' ' PHE . 0.3 OUTLIER 76.79 23.84 0.99 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.53 1.144 . . . . 0.0 109.346 -179.907 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 31.6 m170 66.78 22.39 10.3 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.424 1.077 . . . . 0.0 109.588 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 71' ' ' GLU . . . . . 0.42 ' OE2' ' CD1' ' A' ' 35' ' ' TRP . 0.3 OUTLIER -86.13 149.7 24.94 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.548 1.155 . . . . 0.0 110.27 179.981 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 72' ' ' LYS . . . . . 0.461 ' O ' ' HA ' ' A' ' 66' ' ' PRO . 3.6 mmtt -38.89 154.72 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.501 1.126 . . . . 0.0 109.268 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -84.58 156.79 21.45 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.437 1.086 . . . . 0.0 109.363 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -49.11 143.98 5.38 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.529 1.143 . . . . 0.0 109.228 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 80.87 -50.7 4.18 Favored Glycine 0 CA--C 1.531 1.055 0 O-C-N 124.419 1.074 . . . . 0.0 111.031 179.924 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -69.24 -31.52 70.14 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.554 0.797 . . . . 0.0 109.212 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 77' ' ' PHE . . . . . 0.613 ' CZ ' ' CB ' ' A' ' 64' ' ' ALA . 17.4 t80 -77.52 -57.09 4.01 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.518 1.136 . . . . 0.0 111.051 179.926 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 18.2 pt20 -52.39 -25.97 11.26 Favored 'General case' 0 C--N 1.327 -0.404 0 O-C-N 124.564 1.165 . . . . 0.0 110.325 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 1.2 mttt -64.97 -47.72 76.59 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.428 1.08 . . . . 0.0 109.307 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 80' ' ' TRP . . . . . 0.561 ' CE3' ' OG ' ' A' ' 34' ' ' SER . 3.5 t90 -53.32 -55.92 20.83 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 107.997 -1.112 . . . . 0.0 107.997 179.951 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 81' ' ' TYR . . . . . 0.486 ' CE2' ' HB3' ' A' ' 12' ' ' ALA . 19.1 t80 -52.71 -28.83 23.69 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.482 1.114 . . . . 0.0 110.951 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -81.57 6.81 13.82 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.503 1.127 . . . . 0.0 109.316 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 83' ' ' GLY . . . . . 0.423 ' N ' ' O ' ' A' ' 80' ' ' TRP . . . -112.9 -12.86 11.8 Favored Glycine 0 CA--C 1.531 1.09 0 O-C-N 124.507 1.129 . . . . 0.0 111.008 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.552 HD11 ' NE1' ' A' ' 80' ' ' TRP . 11.0 mp -83.77 161.97 20.8 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.53 0.783 . . . . 0.0 109.285 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 43.3 m-80 -89.24 178.98 6.21 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.491 1.119 . . . . 0.0 109.315 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 86' ' ' TYR . . . . . 0.412 ' C ' ' H ' ' A' ' 88' ' ' LYS . 42.8 m-85 54.27 83.93 0.22 Allowed Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.518 1.136 . . . . 0.0 111.016 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 18.8 Cg_endo -74.91 45.16 1.27 Allowed 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.405 1.74 . . . . 0.0 111.038 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 88' ' ' LYS . . . . . 0.412 ' H ' ' C ' ' A' ' 86' ' ' TYR . 28.5 mmtt -124.98 -2.73 7.7 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.557 1.161 . . . . 0.0 109.344 179.936 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 0.679 HD23 ' HD2' ' A' ' 90' ' ' PRO . 0.4 OUTLIER -76.72 119.64 78.27 Favored Pre-proline 0 C--N 1.324 -0.522 0 O-C-N 124.501 1.126 . . . . 0.0 109.303 -180.0 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 90' ' ' PRO . . . . . 0.679 ' HD2' HD23 ' A' ' 89' ' ' LEU . 18.7 Cg_endo -75.0 128.55 11.57 Favored 'Trans proline' 0 C--N 1.359 1.109 0 O-C-N 124.541 1.811 . . . . 0.0 111.012 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 55.5 t -143.93 126.94 12.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.528 1.142 . . . . 0.0 109.285 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 92' ' ' VAL . . . . . 0.561 HG22 HG22 ' A' ' 11' ' ' THR . 78.0 t -115.78 140.97 35.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.561 1.163 . . . . 0.0 109.304 179.917 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 3.1 p -120.45 115.87 24.34 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.437 1.086 . . . . 0.0 110.336 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 94' ' ' ASP . . . . . 0.446 ' HB2' ' CD1' ' A' ' 9' ' ' LEU . 68.1 t0 -114.66 110.33 19.59 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.444 1.09 . . . . 0.0 109.349 179.887 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 14.5 t-20 -59.57 112.49 1.81 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.577 1.173 . . . . 0.0 109.236 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 88.65 -29.17 5.92 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.477 1.111 . . . . 0.0 110.977 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 76.37 71.41 1.18 Allowed Glycine 0 CA--C 1.529 0.934 0 N-CA-C 111.006 -0.838 . . . . 0.0 111.006 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 2.0 m -57.76 -40.16 79.11 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.48 0.753 . . . . 0.0 110.453 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 3.8 mt -81.42 -38.28 16.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.497 1.123 . . . . 0.0 109.297 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 100' ' ' ALA . . . . . 0.68 ' HA ' HD12 ' A' ' 105' ' ' ILE . . . -63.57 -44.98 92.49 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.578 1.174 . . . . 0.0 109.319 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 7.6 pt20 -73.89 -35.63 64.71 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.483 1.114 . . . . 0.0 110.356 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 1.1 m -61.35 -34.54 75.46 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.467 1.104 . . . . 0.0 109.93 -179.899 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 73.2 mt -99.96 12.33 37.08 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.471 1.107 . . . . 0.0 109.298 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 14.8 t-20 46.84 52.9 10.97 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.424 1.078 . . . . 0.0 109.307 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 105' ' ' ILE . . . . . 0.68 HD12 ' HA ' ' A' ' 100' ' ' ALA . 64.5 mt -88.62 129.44 39.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 O-C-N 124.582 1.176 . . . . 0.0 109.302 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 106' ' ' SER . . . . . 0.629 ' HA ' HD21 ' A' ' 69' ' ' LEU . 24.5 p -157.19 33.3 0.29 Allowed 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.494 1.122 . . . . 0.0 109.969 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 2.5 p -148.14 132.66 9.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.485 1.115 . . . . 0.0 109.257 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 108' ' ' TYR . . . . . 0.573 ' CE1' ' HB3' ' A' ' 31' ' ' PHE . 21.4 m-85 -130.88 152.46 80.65 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.513 1.133 . . . . 0.0 111.047 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 109' ' ' PRO . . . . . 0.531 ' C ' ' HA ' ' A' ' 108' ' ' TYR . 18.3 Cg_endo -75.12 159.2 98.23 Favored 'Cis proline' 0 C--N 1.36 1.14 0 C-N-CA 120.928 -2.53 . . . . 0.0 111.015 0.105 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 110' ' ' SER . . . . . 0.408 ' O ' ' HA ' ' A' ' 30' ' ' LYS . 0.4 OUTLIER -134.17 157.57 45.89 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.434 1.084 . . . . 0.0 109.966 -179.887 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 111' ' ' TRP . . . . . 0.504 ' CE2' ' HD2' ' A' ' 30' ' ' LYS . 67.0 m95 -131.18 141.04 50.02 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 107.976 -1.12 . . . . 0.0 107.976 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 112' ' ' ALA . . . . . 0.772 ' HB3' ' HB ' ' A' ' 29' ' ' ILE . . . -130.14 131.7 45.78 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.487 1.117 . . . . 0.0 109.263 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 113' ' ' LEU . . . . . 0.568 ' HA ' HD12 ' A' ' 28' ' ' LEU . 11.3 tp -108.43 132.92 53.29 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.463 1.102 . . . . 0.0 109.312 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 114' ' ' ILE . . . . . 0.728 HD13 ' HA ' ' A' ' 120' ' ' VAL . 43.8 mm -121.05 111.54 32.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.454 1.096 . . . . 0.0 109.325 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 115' ' ' GLY . . . . . 0.439 ' CA ' ' HG3' ' A' ' 121' ' ' GLN . . . -41.66 164.38 0.02 OUTLIER Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.567 1.167 . . . . 0.0 111.073 179.936 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.98 -12.2 47.44 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.53 0.782 . . . . 0.0 109.247 -179.932 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -81.64 -23.97 36.63 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.5 1.125 . . . . 0.0 109.298 -179.95 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . 99.29 34.95 4.9 Favored Glycine 0 CA--C 1.529 0.938 0 O-C-N 124.558 1.161 . . . . 0.0 111.013 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 1.6 p-10 -131.27 158.49 40.47 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.46 0.741 . . . . 0.0 109.3 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 120' ' ' VAL . . . . . 0.728 ' HA ' HD13 ' A' ' 114' ' ' ILE . 90.9 t -57.99 120.07 3.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.468 1.105 . . . . 0.0 109.287 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 121' ' ' GLN . . . . . 0.535 ' HB3' HD23 ' A' ' 113' ' ' LEU . 0.0 OUTLIER -100.58 -59.88 1.62 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.497 1.123 . . . . 0.0 110.284 -179.973 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -150.53 138.71 20.25 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.523 1.139 . . . . 0.0 110.392 179.926 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 123' ' ' ILE . . . . . 0.494 HD11 HG12 ' A' ' 105' ' ' ILE . 16.5 tt -111.64 127.66 68.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.55 1.156 . . . . 0.0 109.314 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 74.8 t -113.33 137.39 46.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.457 1.098 . . . . 0.0 109.267 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 12.5 pttt -105.97 134.74 48.61 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.505 1.128 . . . . 0.0 109.311 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . 104.5 -147.71 16.51 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.509 1.13 . . . . 0.0 110.988 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -123.15 155.93 36.04 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.444 0.732 . . . . 0.0 109.942 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 128' ' ' ILE . . . . . . . . . . . . . 15.1 pt -126.84 166.62 23.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 O-C-N 124.48 1.112 . . . . 0.0 109.284 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 129' ' ' ASN . . . . . . . . . . . . . 3.3 p30 -108.58 169.32 8.72 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.488 1.117 . . . . 0.0 109.323 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -51.17 -45.73 61.85 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.469 1.105 . . . . 0.0 110.375 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -50.79 -53.99 27.28 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.463 1.102 . . . . 0.0 109.306 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 8.2 mt-30 -50.93 -48.44 60.75 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.507 1.13 . . . . 0.0 110.259 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -49.8 -46.79 51.26 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.599 1.187 . . . . 0.0 109.299 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 42.8 mt -55.6 -46.39 77.33 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.48 1.113 . . . . 0.0 109.292 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -56.27 -41.96 76.65 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.487 1.117 . . . . 0.0 109.25 -179.942 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 30.6 mt -58.5 -57.34 13.4 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.566 1.167 . . . . 0.0 109.377 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 137' ' ' ILE . . . . . . . . . . . . . 1.5 mp -61.8 -19.21 20.8 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 O-C-N 124.546 1.154 . . . . 0.0 109.285 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -79.77 -47.49 15.15 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.552 1.157 . . . . 0.0 110.3 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 32.5 t0 -171.57 128.81 0.67 Allowed Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.524 1.14 . . . . 0.0 109.32 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 140' ' ' PRO . . . . . 0.55 ' HB3' HD21 ' A' ' 113' ' ' LEU . 18.1 Cg_endo -75.04 -4.65 15.7 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.498 1.789 . . . . 0.0 110.986 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 141' ' ' ASN . . . . . . . . . . . . . 30.8 m120 -87.09 -24.46 24.56 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.531 1.144 . . . . 0.0 109.261 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -48.42 142.76 5.4 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.526 1.141 . . . . 0.0 109.289 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 143' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 70.94 111.85 0.06 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.432 1.082 . . . . 0.0 109.227 179.942 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 11.8 mt . . . . . 0 C--N 1.325 -0.467 0 O-C-N 124.499 1.124 . . . . 0.0 109.304 179.943 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.457 ' C ' HG23 ' A' ' 2' ' ' VAL . 21.8 mtt . . . . . 0 N--CA 1.452 -0.343 0 CA-C-O 120.502 0.191 . . . . 0.0 110.96 . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 2' ' ' VAL . . . . . 0.861 HG13 ' CG2' ' A' ' 5' ' ' THR . 82.0 t -154.94 60.06 2.54 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.49 1.119 . . . . 0.0 109.274 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 3' ' ' PRO . . . . . 0.506 ' HD3' ' N ' ' A' ' 2' ' ' VAL . 18.3 Cg_endo -75.04 -90.19 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.469 1.773 . . . . 0.0 111.011 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 4' ' ' HIS . . . . . 0.423 ' O ' ' N ' ' A' ' 8' ' ' THR . 9.6 p-80 -52.3 -30.91 30.5 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.449 1.093 . . . . 0.0 109.646 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.861 ' CG2' HG13 ' A' ' 2' ' ' VAL . 1.3 m -57.49 -55.24 37.41 Favored 'General case' 0 C--N 1.323 -0.563 0 O-C-N 124.51 1.131 . . . . 0.0 110.361 179.928 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.452 HD11 HD22 ' A' ' 21' ' ' LEU . 0.2 OUTLIER -70.87 -40.69 72.13 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.442 1.089 . . . . 0.0 109.347 -179.989 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 2.9 m -64.57 -22.05 66.86 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.35 1.031 . . . . 0.0 109.965 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' THR . . . . . 0.456 ' O ' ' N ' ' A' ' 10' ' ' LYS . 1.3 m -73.56 -27.88 61.57 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.534 1.146 . . . . 0.0 110.436 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.865 ' O ' ' HB2' ' A' ' 17' ' ' ALA . 4.6 mm? -63.12 79.71 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.522 1.139 . . . . 0.0 109.294 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.456 ' N ' ' O ' ' A' ' 8' ' ' THR . 2.1 mttp -81.46 145.32 30.81 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.517 1.136 . . . . 0.0 109.377 179.948 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 25.4 p -79.18 170.98 15.84 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.482 1.114 . . . . 0.0 110.455 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -63.45 -12.28 30.21 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.516 1.135 . . . . 0.0 109.361 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' ASP . . . . . 0.439 ' OD1' ' N ' ' A' ' 13' ' ' ASP . 0.0 OUTLIER -98.64 26.34 5.68 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.544 1.153 . . . . 0.0 109.297 179.996 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 49.32 35.5 7.87 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.557 1.16 . . . . 0.0 109.238 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 15' ' ' ARG . . . . . 0.417 ' O ' ' HA ' ' A' ' 10' ' ' LYS . 0.0 OUTLIER -109.73 147.82 36.92 Favored Pre-proline 0 C--N 1.324 -0.517 0 O-C-N 124.542 1.151 . . . . 0.0 110.277 179.976 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 16' ' ' PRO . . . . . 0.465 ' HG2' HG23 ' A' ' 19' ' ' VAL . 18.4 Cg_endo -75.01 130.88 13.67 Favored 'Trans proline' 0 C--N 1.361 1.205 0 O-C-N 124.514 1.797 . . . . 0.0 111.007 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.865 ' HB2' ' O ' ' A' ' 9' ' ' LEU . . . -57.84 -30.91 66.15 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.505 1.128 . . . . 0.0 109.358 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 8.6 t -49.63 -31.49 10.93 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.479 1.112 . . . . 0.0 109.939 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.465 HG23 ' HG2' ' A' ' 16' ' ' PRO . 94.0 t -57.74 -27.42 30.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.455 1.097 . . . . 0.0 109.355 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 13.1 m-85 -103.94 22.17 15.06 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.485 1.116 . . . . 0.0 110.994 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.484 HD11 HG21 ' A' ' 27' ' ' THR . 2.4 mp -146.37 102.87 3.64 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.5 1.125 . . . . 0.0 109.332 179.939 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 9.3 ptmt -176.29 177.86 1.45 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.493 1.121 . . . . 0.0 109.285 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 69.23 24.63 5.92 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.506 1.129 . . . . 0.0 109.23 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 61.0 m-20 47.05 36.24 4.04 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.591 1.182 . . . . 0.0 109.304 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.412 ' HD2' ' CD ' ' A' ' 26' ' ' PRO . 7.2 mmtm -100.35 159.26 30.21 Favored Pre-proline 0 C--N 1.323 -0.556 0 O-C-N 124.522 1.139 . . . . 0.0 109.336 -179.911 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 26' ' ' PRO . . . . . 0.412 ' CD ' ' HD2' ' A' ' 25' ' ' LYS . 18.2 Cg_endo -74.94 154.34 42.75 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.54 1.81 . . . . 0.0 110.968 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 27' ' ' THR . . . . . 0.484 HG21 HD11 ' A' ' 21' ' ' LEU . 91.4 m -128.56 135.18 49.02 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.486 1.116 . . . . 0.0 110.44 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 4.9 tp -113.73 134.94 54.45 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.447 1.092 . . . . 0.0 109.336 179.906 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.436 HG23 HG23 ' A' ' 63' ' ' VAL . 5.6 mm -115.14 146.74 19.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.517 1.136 . . . . 0.0 109.342 179.942 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.573 ' HB2' ' CE3' ' A' ' 111' ' ' TRP . 24.5 tttt -138.8 122.08 17.05 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.501 1.125 . . . . 0.0 109.328 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 31' ' ' PHE . . . . . 0.684 ' CZ ' ' CD1' ' A' ' 105' ' ' ILE . 49.0 m-85 -93.86 131.38 39.32 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.445 1.09 . . . . 0.0 110.979 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 32' ' ' TRP . . . . . 1.046 ' CZ3' HD11 ' A' ' 43' ' ' LEU . 12.7 p-90 -138.37 170.9 15.21 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.512 1.133 . . . . 0.0 107.991 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -134.06 153.61 51.69 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.434 1.084 . . . . 0.0 109.247 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' SER . . . . . 0.514 ' O ' HD11 ' A' ' 40' ' ' LEU . 0.5 OUTLIER -78.21 -32.29 49.84 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.469 1.106 . . . . 0.0 110.028 -179.971 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 51.1 p-90 -78.48 -3.86 45.62 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 107.999 -1.111 . . . . 0.0 107.999 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' CYS . . . . . 0.592 ' O ' HD12 ' A' ' 40' ' ' LEU . 41.8 t -98.63 118.1 63.61 Favored Pre-proline 0 C--N 1.324 -0.527 0 O-C-N 124.56 1.163 . . . . 0.0 108.276 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.98 -54.29 0.09 OUTLIER 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.472 1.775 . . . . 0.0 111.008 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -47.68 -30.55 3.87 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.472 1.108 . . . . 0.0 109.312 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 1.3 m -74.59 -56.75 4.48 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.504 1.127 . . . . 0.0 108.398 179.877 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.592 HD12 ' O ' ' A' ' 36' ' ' CYS . 0.4 OUTLIER -51.04 -41.04 59.61 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.522 1.139 . . . . 0.0 109.356 179.935 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 3.4 m -72.36 -25.79 61.66 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.491 1.119 . . . . 0.0 110.009 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 13.0 tt0 -82.73 -19.23 38.35 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.502 1.126 . . . . 0.0 110.375 179.921 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 1.046 HD11 ' CZ3' ' A' ' 32' ' ' TRP . 13.5 mt -56.89 -54.86 41.71 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.393 1.058 . . . . 0.0 109.313 179.945 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -48.34 -50.75 22.81 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.425 1.078 . . . . 0.0 110.975 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 45' ' ' GLN . . . . . 0.472 ' HG2' ' CZ2' ' A' ' 49' ' ' TRP . 2.0 tp-100 -66.19 -32.3 73.65 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.484 0.756 . . . . 0.0 110.393 179.9 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 4.1 m -70.1 -28.94 65.81 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.553 1.158 . . . . 0.0 110.393 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 31.1 tt0 -73.99 -34.46 64.21 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.408 1.067 . . . . 0.0 110.284 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 26.1 tttt -78.18 -37.29 46.05 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.585 1.178 . . . . 0.0 109.313 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 49' ' ' TRP . . . . . 0.48 ' HB3' ' CE2' ' A' ' 55' ' ' PHE . 45.4 m0 -65.73 -34.31 77.9 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 107.94 -1.133 . . . . 0.0 107.94 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.813 ' HB2' HD22 ' A' ' 60' ' ' LEU . . . -74.23 -9.0 58.18 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.48 1.112 . . . . 0.0 109.348 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 9.7 mm100 -104.04 -14.7 15.83 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.493 1.121 . . . . 0.0 110.344 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 2.6 t0 -63.61 137.2 58.01 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.475 1.109 . . . . 0.0 109.336 179.919 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -60.23 -46.79 88.56 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.504 1.127 . . . . 0.0 109.277 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.29 -39.74 60.89 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.502 1.126 . . . . 0.0 109.275 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 55' ' ' PHE . . . . . 0.673 ' CZ ' ' CB ' ' A' ' 133' ' ' ALA . 1.2 m-85 -77.05 -28.52 54.77 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.427 1.079 . . . . 0.0 111.03 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 56' ' ' SER . . . . . 0.409 ' O ' ' C ' ' A' ' 57' ' ' SER . 3.2 t -49.5 -40.25 36.87 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.486 1.116 . . . . 0.0 110.006 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 57' ' ' SER . . . . . 0.409 ' C ' ' O ' ' A' ' 56' ' ' SER . 32.5 t -38.5 -58.46 1.03 Allowed 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.515 1.134 . . . . 0.0 110.051 179.93 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -101.92 165.74 11.02 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.442 1.088 . . . . 0.0 109.344 179.908 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 3.8 m-20 -88.98 124.75 34.55 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.497 1.123 . . . . 0.0 109.289 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.813 HD22 ' HB2' ' A' ' 50' ' ' ALA . 7.8 tt -112.91 125.89 54.87 Favored 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.471 1.107 . . . . 0.0 109.277 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.524 HD12 HG21 ' A' ' 92' ' ' VAL . 16.1 pt -151.83 160.83 3.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.486 1.116 . . . . 0.0 109.256 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 36.6 p -114.64 154.65 28.0 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.49 1.119 . . . . 0.0 110.345 -179.934 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 63' ' ' VAL . . . . . 0.436 HG23 HG23 ' A' ' 29' ' ' ILE . 2.4 t -123.97 145.68 30.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.406 1.067 . . . . 0.0 109.284 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 64' ' ' ALA . . . . . 0.466 ' N ' ' O ' ' A' ' 92' ' ' VAL . . . -134.3 149.53 50.91 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.525 1.141 . . . . 0.0 109.338 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 65' ' ' SER . . . . . 0.475 ' CB ' ' HB3' ' A' ' 68' ' ' PHE . 9.1 m -121.81 108.97 34.42 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.45 1.094 . . . . 0.0 109.925 -179.929 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 66' ' ' PRO . . . . . 0.416 ' HD2' ' O ' ' A' ' 94' ' ' ASP . 18.2 Cg_endo -75.06 138.65 23.17 Favored 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.526 1.803 . . . . 0.0 110.989 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 62.83 12.46 42.19 Favored Glycine 0 CA--C 1.531 1.083 0 O-C-N 124.5 1.125 . . . . 0.0 111.034 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 68' ' ' PHE . . . . . 0.988 ' CE2' HD23 ' A' ' 69' ' ' LEU . 71.6 t80 -121.17 130.63 53.81 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.483 0.755 . . . . 0.0 110.992 -179.867 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.988 HD23 ' CE2' ' A' ' 68' ' ' PHE . 1.2 mm? 71.38 43.49 0.61 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.529 1.143 . . . . 0.0 109.294 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 1.9 t60 59.44 18.29 6.72 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.524 1.14 . . . . 0.0 109.569 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 71' ' ' GLU . . . . . 0.427 ' HA ' ' OE1' ' A' ' 71' ' ' GLU . 4.0 tp10 -84.2 149.99 25.78 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.537 1.148 . . . . 0.0 110.303 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 72' ' ' LYS . . . . . 0.412 ' N ' ' HG3' ' A' ' 71' ' ' GLU . 2.1 mttt -49.16 138.37 12.37 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.424 1.078 . . . . 0.0 109.289 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 15.6 mttp -64.59 165.72 9.7 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.469 1.106 . . . . 0.0 109.361 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -52.57 156.49 1.84 Allowed 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.545 1.153 . . . . 0.0 109.32 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 75' ' ' GLY . . . . . 0.412 ' CA ' ' HG3' ' A' ' 78' ' ' GLN . . . 77.3 -52.48 3.41 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.385 1.053 . . . . 0.0 110.932 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -57.37 -54.28 48.58 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.496 0.762 . . . . 0.0 109.288 -179.898 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 80.8 t80 -59.32 -28.83 67.16 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.534 1.146 . . . . 0.0 110.929 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 78' ' ' GLN . . . . . 0.412 ' HG3' ' CA ' ' A' ' 75' ' ' GLY . 5.5 mt-30 -69.22 -29.26 67.17 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.378 1.048 . . . . 0.0 110.238 -179.914 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 79' ' ' LYS . . . . . 0.441 ' O ' ' HB3' ' A' ' 82' ' ' ALA . 0.0 OUTLIER -71.57 -41.25 69.26 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.125 . . . . 0.0 109.142 -179.92 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 80' ' ' TRP . . . . . 0.521 ' HE1' HD21 ' A' ' 84' ' ' LEU . 3.4 t90 -55.55 -54.04 48.88 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 107.969 -1.123 . . . . 0.0 107.969 -179.908 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 81' ' ' TYR . . . . . 0.416 ' HA ' HD12 ' A' ' 84' ' ' LEU . 8.6 t80 -56.69 -33.64 66.64 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.436 1.085 . . . . 0.0 110.965 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 82' ' ' ALA . . . . . 0.441 ' HB3' ' O ' ' A' ' 79' ' ' LYS . . . -61.88 -15.26 41.16 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.574 1.171 . . . . 0.0 109.291 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -103.42 -20.11 11.46 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.401 1.063 . . . . 0.0 110.983 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.521 HD21 ' HE1' ' A' ' 80' ' ' TRP . 30.0 mt -78.69 114.76 17.89 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.545 0.791 . . . . 0.0 109.36 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 85' ' ' ASN . . . . . 0.476 ' O ' ' CD1' ' A' ' 86' ' ' TYR . 5.7 m120 -84.79 71.04 10.9 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.571 1.169 . . . . 0.0 109.356 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 86' ' ' TYR . . . . . 0.476 ' CD1' ' O ' ' A' ' 85' ' ' ASN . 27.9 m-85 -147.56 67.81 10.64 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.523 1.14 . . . . 0.0 111.022 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 0.06 9.34 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.558 1.82 . . . . 0.0 110.983 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 10.8 mmtm -104.03 11.79 34.9 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.574 1.171 . . . . 0.0 109.277 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 0.788 HD12 ' HD2' ' A' ' 90' ' ' PRO . 4.3 tp -116.45 124.07 29.91 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.52 1.137 . . . . 0.0 109.365 179.918 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 90' ' ' PRO . . . . . 0.788 ' HD2' HD12 ' A' ' 89' ' ' LEU . 18.4 Cg_endo -75.02 127.02 10.33 Favored 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.431 1.753 . . . . 0.0 111.032 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 15.5 t -140.54 118.92 10.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.509 1.13 . . . . 0.0 109.243 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 92' ' ' VAL . . . . . 0.524 HG21 HD12 ' A' ' 61' ' ' ILE . 43.9 t -107.91 143.26 18.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.473 1.108 . . . . 0.0 109.32 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 10.8 p -121.6 120.13 33.9 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.47 1.106 . . . . 0.0 110.33 -179.936 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 94' ' ' ASP . . . . . 0.525 ' HB2' HD11 ' A' ' 9' ' ' LEU . 50.2 t0 -115.15 109.97 18.82 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.515 1.134 . . . . 0.0 109.284 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 1.3 m120 -61.03 109.01 0.97 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.52 1.137 . . . . 0.0 109.271 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 88.93 -24.56 12.45 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.478 1.111 . . . . 0.0 111.049 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 72.29 77.48 0.55 Allowed Glycine 0 CA--C 1.529 0.952 0 N-CA-C 111.026 -0.83 . . . . 0.0 111.026 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 3.4 m -64.9 -43.74 91.88 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.456 0.739 . . . . 0.0 110.353 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 3.5 mt -76.63 -36.05 26.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.495 1.122 . . . . 0.0 109.308 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -62.14 -42.71 99.51 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.483 1.115 . . . . 0.0 109.328 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -80.54 -36.55 32.93 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.591 1.182 . . . . 0.0 110.268 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 47.7 t -65.98 -29.35 69.72 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.597 1.185 . . . . 0.0 109.993 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 103' ' ' LEU . . . . . 0.432 HD21 HG21 ' A' ' 120' ' ' VAL . 27.4 mt -92.12 -13.09 31.28 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.501 1.126 . . . . 0.0 109.35 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 13.4 t-20 68.74 40.71 1.73 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.538 1.149 . . . . 0.0 109.279 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 105' ' ' ILE . . . . . 0.699 HG22 ' H ' ' A' ' 107' ' ' VAL . 47.8 mt -74.76 -86.04 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.484 1.115 . . . . 0.0 109.306 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 66.1 p 53.77 23.47 3.78 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.5 1.125 . . . . 0.0 109.964 179.914 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 107' ' ' VAL . . . . . 0.699 ' H ' HG22 ' A' ' 105' ' ' ILE . 2.8 p -144.46 131.77 16.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.573 1.17 . . . . 0.0 109.285 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 108' ' ' TYR . . . . . 0.579 ' CE1' ' HB3' ' A' ' 31' ' ' PHE . 12.6 m-85 -131.83 152.52 80.47 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.43 1.081 . . . . 0.0 110.994 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 109' ' ' PRO . . . . . 0.523 ' C ' ' HA ' ' A' ' 108' ' ' TYR . 18.1 Cg_endo -75.05 170.06 72.87 Favored 'Cis proline' 0 C--N 1.36 1.156 0 C-N-CA 121.052 -2.478 . . . . 0.0 110.952 0.067 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 110' ' ' SER . . . . . 0.412 ' O ' ' HA ' ' A' ' 30' ' ' LYS . 8.0 m -155.28 149.4 25.79 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.491 1.119 . . . . 0.0 109.998 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 111' ' ' TRP . . . . . 0.573 ' CE3' ' HB2' ' A' ' 30' ' ' LYS . 64.6 m95 -128.49 137.46 51.8 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.532 1.145 . . . . 0.0 108.062 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -129.19 143.19 50.77 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.489 1.118 . . . . 0.0 109.368 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 113' ' ' LEU . . . . . 0.549 ' O ' HD13 ' A' ' 114' ' ' ILE . 21.5 tp -108.78 133.98 52.09 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.439 1.087 . . . . 0.0 109.251 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 114' ' ' ILE . . . . . 0.549 HD13 ' O ' ' A' ' 113' ' ' LEU . 5.4 mm -122.88 108.91 22.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 O-C-N 124.415 1.072 . . . . 0.0 109.333 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -47.81 173.53 0.03 OUTLIER Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.453 1.096 . . . . 0.0 111.01 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.16 -17.85 64.98 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.448 0.734 . . . . 0.0 109.27 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -75.38 -23.81 57.14 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.495 1.122 . . . . 0.0 109.257 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . 97.73 22.64 15.5 Favored Glycine 0 CA--C 1.531 1.068 0 O-C-N 124.463 1.102 . . . . 0.0 110.943 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 2.1 p30 -120.66 145.45 47.43 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.554 0.797 . . . . 0.0 109.27 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 120' ' ' VAL . . . . . 0.458 HG22 ' CD1' ' A' ' 114' ' ' ILE . 94.3 t -55.33 116.34 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 O-C-N 124.395 1.06 . . . . 0.0 109.356 179.942 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 121' ' ' GLN . . . . . 0.474 ' HG3' HD23 ' A' ' 113' ' ' LEU . 8.4 pt20 -101.89 -32.27 10.3 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.545 1.153 . . . . 0.0 110.365 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 21.7 ttt180 -149.2 141.7 24.33 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.547 1.155 . . . . 0.0 110.309 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 123' ' ' ILE . . . . . 0.416 HD12 HD13 ' A' ' 103' ' ' LEU . 3.4 tt -122.46 135.05 63.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.459 1.099 . . . . 0.0 109.294 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 37.1 t -128.47 138.55 54.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.548 1.155 . . . . 0.0 109.369 179.924 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 4.1 mtmp? -118.19 116.66 27.27 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.426 1.079 . . . . 0.0 109.323 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . 126.41 -155.7 19.55 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.558 1.161 . . . . 0.0 111.065 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -113.73 163.74 14.62 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.472 0.748 . . . . 0.0 110.035 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 128' ' ' ILE . . . . . 0.414 ' HA ' ' OE1' ' A' ' 132' ' ' GLN . 13.4 pt -143.63 167.22 13.19 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 O-C-N 124.551 1.157 . . . . 0.0 109.309 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 129' ' ' ASN . . . . . . . . . . . . . 3.7 p30 -108.46 168.22 9.48 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.504 1.127 . . . . 0.0 109.267 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 34.7 tt0 -57.2 -27.18 61.74 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.441 1.088 . . . . 0.0 110.284 -179.919 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -68.47 -51.67 40.91 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.543 1.152 . . . . 0.0 109.292 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 132' ' ' GLN . . . . . 0.42 ' O ' ' HB3' ' A' ' 135' ' ' ALA . 3.0 mt-30 -51.0 -45.68 61.23 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.576 1.173 . . . . 0.0 110.261 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 133' ' ' ALA . . . . . 0.673 ' CB ' ' CZ ' ' A' ' 55' ' ' PHE . . . -55.74 -50.29 70.79 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.578 1.174 . . . . 0.0 109.327 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 2.6 mt -48.97 -41.38 33.96 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.455 1.097 . . . . 0.0 109.358 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 135' ' ' ALA . . . . . 0.42 ' HB3' ' O ' ' A' ' 132' ' ' GLN . . . -61.73 -42.69 99.3 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.492 1.12 . . . . 0.0 109.311 179.923 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 27.8 mt -57.76 -55.22 37.72 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.427 1.08 . . . . 0.0 109.307 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 137' ' ' ILE . . . . . . . . . . . . . 3.3 mt -62.3 -18.52 20.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.53 1.144 . . . . 0.0 109.35 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -83.16 -47.55 11.48 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.442 1.089 . . . . 0.0 110.374 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 47.5 t0 -167.49 125.47 0.98 Allowed Pre-proline 0 C--N 1.326 -0.44 0 O-C-N 124.532 1.145 . . . . 0.0 109.232 179.933 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.01 -22.31 14.92 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.488 1.783 . . . . 0.0 111.002 179.929 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 141' ' ' ASN . . . . . . . . . . . . . 48.8 m-80 -70.9 -14.88 62.54 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.467 1.104 . . . . 0.0 109.324 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -56.04 108.17 0.43 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.473 1.108 . . . . 0.0 109.344 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 143' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER 62.51 101.85 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.472 1.108 . . . . 0.0 109.333 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 18.1 mt . . . . . 0 C--N 1.326 -0.423 0 O-C-N 124.403 1.064 . . . . 0.0 109.285 -179.966 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.701 ' O ' HG23 ' A' ' 2' ' ' VAL . 6.6 mtt . . . . . 0 N--CA 1.452 -0.374 0 CA-C-O 120.494 0.188 . . . . 0.0 111.06 . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 2' ' ' VAL . . . . . 0.701 HG23 ' O ' ' A' ' 1' ' ' MET . 0.9 OUTLIER 163.08 -51.7 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.605 1.191 . . . . 0.0 109.284 -179.972 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 3' ' ' PRO . . . . . 0.515 ' CD ' ' N ' ' A' ' 2' ' ' VAL . 18.3 Cg_endo -74.99 -23.78 13.48 Favored 'Trans proline' 0 C--N 1.359 1.113 0 O-C-N 124.498 1.788 . . . . 0.0 111.013 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 10.1 t-80 -73.19 -36.85 66.62 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.493 1.12 . . . . 0.0 109.63 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 4.0 m -79.99 -42.76 23.26 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.549 1.156 . . . . 0.0 110.387 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.525 ' O ' ' HB3' ' A' ' 17' ' ' ALA . 0.4 OUTLIER -59.28 -39.34 82.64 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.427 1.079 . . . . 0.0 109.291 179.99 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 1.2 t -64.82 -22.93 67.09 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.596 1.185 . . . . 0.0 109.99 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 1.8 m -84.04 -17.64 39.7 Favored 'General case' 0 C--N 1.323 -0.555 0 O-C-N 124.588 1.18 . . . . 0.0 110.43 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.442 ' HA ' HD23 ' A' ' 9' ' ' LEU . 10.9 mt -84.88 165.6 17.55 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.555 1.16 . . . . 0.0 109.223 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -131.88 160.47 35.59 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.462 1.101 . . . . 0.0 109.337 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 11' ' ' THR . . . . . 0.743 HG22 HG22 ' A' ' 92' ' ' VAL . 35.7 p -92.76 179.05 5.59 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.501 1.125 . . . . 0.0 110.358 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -64.17 -14.11 52.98 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.39 1.056 . . . . 0.0 109.306 179.925 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -97.17 15.17 23.44 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.561 1.163 . . . . 0.0 109.299 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 56.6 28.96 14.78 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.468 1.105 . . . . 0.0 109.304 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -101.88 157.78 33.03 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.416 1.073 . . . . 0.0 110.349 179.946 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 125.97 9.68 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.433 1.754 . . . . 0.0 111.02 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.525 ' HB3' ' O ' ' A' ' 6' ' ' LEU . . . -60.63 -34.9 74.94 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.539 1.15 . . . . 0.0 109.318 -179.95 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 8.5 t -50.73 -29.82 12.35 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.488 1.118 . . . . 0.0 110.041 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -61.73 -35.87 70.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.432 1.083 . . . . 0.0 109.322 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 20.8 m-85 -94.87 19.71 9.82 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.551 1.157 . . . . 0.0 111.055 179.93 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -119.28 120.27 36.5 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.391 1.057 . . . . 0.0 109.29 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 22' ' ' LYS . . . . . 0.405 ' O ' ' N ' ' A' ' 24' ' ' ASP . 0.0 OUTLIER -97.44 106.07 18.32 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.522 1.139 . . . . 0.0 109.358 179.924 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.22 56.45 0.15 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.517 1.136 . . . . 0.0 109.335 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 24' ' ' ASP . . . . . 0.405 ' N ' ' O ' ' A' ' 22' ' ' LYS . 0.5 OUTLIER 169.32 37.68 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.524 1.14 . . . . 0.0 109.269 -179.932 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -170.47 162.87 6.04 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.547 1.154 . . . . 0.0 109.28 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.91 142.92 28.75 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.465 1.771 . . . . 0.0 111.041 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 23.9 m -117.4 124.93 50.07 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.532 1.145 . . . . 0.0 110.334 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.572 HD12 ' O ' ' A' ' 112' ' ' ALA . 15.1 tp -107.97 128.15 54.39 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.443 1.089 . . . . 0.0 109.34 179.943 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.584 HD11 HG13 ' A' ' 114' ' ' ILE . 2.5 mt -107.62 150.41 10.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.529 1.143 . . . . 0.0 109.279 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.491 ' HD2' ' CZ2' ' A' ' 111' ' ' TRP . 2.7 tttp -138.79 110.67 7.2 Favored 'General case' 0 C--N 1.326 -0.415 0 O-C-N 124.484 1.115 . . . . 0.0 109.232 -179.94 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 31' ' ' PHE . . . . . 0.58 ' HB3' ' CE1' ' A' ' 108' ' ' TYR . 62.6 m-85 -83.47 126.52 32.86 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.566 1.166 . . . . 0.0 111.019 179.921 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 32' ' ' TRP . . . . . 0.531 ' CE2' HD11 ' A' ' 43' ' ' LEU . 5.2 p-90 -134.31 167.03 21.46 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.477 1.11 . . . . 0.0 108.034 179.895 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 33' ' ' ALA . . . . . 0.436 ' HB3' ' HB2' ' A' ' 36' ' ' CYS . . . -138.86 138.79 37.8 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.495 1.122 . . . . 0.0 109.259 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -61.86 -43.83 98.05 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.124 . . . . 0.0 110.075 179.933 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 31.2 p-90 -65.04 -19.35 65.95 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 107.98 -1.119 . . . . 0.0 107.98 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 36' ' ' CYS . . . . . 0.436 ' HB2' ' HB3' ' A' ' 33' ' ' ALA . 43.0 t -83.63 116.0 62.38 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.436 1.085 . . . . 0.0 108.294 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -54.31 0.09 OUTLIER 'Trans proline' 0 C--N 1.361 1.222 0 O-C-N 124.461 1.769 . . . . 0.0 111.017 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -47.96 -32.7 6.76 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.519 1.137 . . . . 0.0 109.313 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 4.1 m -68.61 -57.45 5.71 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.494 1.121 . . . . 0.0 108.245 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 16.9 mt -50.83 -52.18 43.9 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.502 1.126 . . . . 0.0 109.24 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.3 p -52.4 -25.32 9.59 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.558 1.161 . . . . 0.0 110.034 -179.913 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -93.36 -32.14 14.38 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.503 1.127 . . . . 0.0 110.343 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.531 HD11 ' CE2' ' A' ' 32' ' ' TRP . 0.2 OUTLIER -44.17 -54.43 5.63 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.533 1.146 . . . . 0.0 109.391 179.929 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -52.48 -52.87 34.91 Favored Glycine 0 CA--C 1.529 0.925 0 O-C-N 124.485 1.116 . . . . 0.0 111.035 179.879 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 45' ' ' GLN . . . . . 0.559 ' CD ' ' CZ2' ' A' ' 49' ' ' TRP . 43.9 tt0 -62.07 -30.02 70.7 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.442 0.73 . . . . 0.0 110.326 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 98.3 m -68.67 -38.89 80.73 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.553 1.158 . . . . 0.0 110.428 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 17.7 tt0 -60.98 -37.68 83.31 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.474 1.109 . . . . 0.0 110.281 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 5.4 ttpt -78.52 -37.52 42.85 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.489 1.118 . . . . 0.0 109.301 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 49' ' ' TRP . . . . . 0.559 ' CZ2' ' CD ' ' A' ' 45' ' ' GLN . 34.4 m0 -60.87 -31.47 70.94 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 107.952 -1.129 . . . . 0.0 107.952 -179.947 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -74.26 -8.88 57.77 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.616 1.197 . . . . 0.0 109.305 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 4.9 mt-30 -101.14 -10.6 20.28 Favored 'General case' 0 C--N 1.326 -0.413 0 O-C-N 124.485 1.115 . . . . 0.0 110.319 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 4.1 t70 -67.58 124.63 23.76 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.46 1.1 . . . . 0.0 109.286 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -52.21 -45.53 65.27 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.434 1.084 . . . . 0.0 109.287 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 54' ' ' LYS . . . . . 0.665 ' HG3' HD22 ' A' ' 134' ' ' LEU . 0.0 OUTLIER -50.17 -47.18 54.6 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.446 1.091 . . . . 0.0 109.352 -179.979 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 55' ' ' PHE . . . . . 0.658 ' CE1' HD12 ' A' ' 60' ' ' LEU . 0.6 OUTLIER -67.88 -28.09 67.23 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.377 1.048 . . . . 0.0 111.067 179.961 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 56' ' ' SER . . . . . 0.403 ' O ' ' C ' ' A' ' 57' ' ' SER . 1.0 OUTLIER -46.52 -40.25 12.25 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.464 1.103 . . . . 0.0 109.939 179.995 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 57' ' ' SER . . . . . 0.403 ' C ' ' O ' ' A' ' 56' ' ' SER . 69.8 m -39.42 -62.97 0.61 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.523 1.14 . . . . 0.0 109.987 -179.908 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 58' ' ' ALA . . . . . 0.406 ' O ' ' O ' ' A' ' 55' ' ' PHE . . . -100.65 165.99 11.12 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.529 1.143 . . . . 0.0 109.197 -179.941 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 67.6 m-80 -89.03 131.72 35.08 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.52 1.138 . . . . 0.0 109.241 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.727 HD23 ' N ' ' A' ' 61' ' ' ILE . 3.4 tt -118.39 127.03 53.29 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.48 1.113 . . . . 0.0 109.268 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.727 ' N ' HD23 ' A' ' 60' ' ' LEU . 0.9 OUTLIER -151.73 160.93 3.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 O-C-N 124.581 1.175 . . . . 0.0 109.237 179.995 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 62' ' ' THR . . . . . 0.505 ' HB ' ' CD1' ' A' ' 32' ' ' TRP . 41.5 p -115.72 150.05 37.46 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.455 1.097 . . . . 0.0 110.395 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 63' ' ' VAL . . . . . 0.403 HG23 HG23 ' A' ' 29' ' ' ILE . 3.4 t -123.79 145.24 31.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.439 1.087 . . . . 0.0 109.309 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 64' ' ' ALA . . . . . 0.411 ' N ' ' O ' ' A' ' 92' ' ' VAL . . . -132.9 149.7 52.23 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.457 1.098 . . . . 0.0 109.33 179.909 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 2.6 p -126.62 108.92 22.96 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.49 1.119 . . . . 0.0 109.962 -179.934 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 66' ' ' PRO . . . . . 0.41 ' HD2' ' O ' ' A' ' 94' ' ' ASP . 18.5 Cg_endo -74.92 131.38 14.32 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.485 1.782 . . . . 0.0 111.094 179.903 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 86.62 -14.5 55.44 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.495 1.122 . . . . 0.0 110.991 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 68' ' ' PHE . . . . . 0.439 ' O ' ' HB2' ' A' ' 71' ' ' GLU . 0.5 OUTLIER -98.86 131.46 44.94 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.452 0.736 . . . . 0.0 111.035 -179.987 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 1.069 HD22 ' CE2' ' A' ' 108' ' ' TYR . 11.0 mp 66.84 14.54 9.85 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.564 1.165 . . . . 0.0 109.275 -179.951 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER 74.84 43.08 0.24 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.522 1.139 . . . . 0.0 109.595 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 71' ' ' GLU . . . . . 0.439 ' HB2' ' O ' ' A' ' 68' ' ' PHE . 0.2 OUTLIER -94.56 142.36 27.53 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.488 1.117 . . . . 0.0 110.317 180.0 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -42.28 119.98 1.52 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.45 1.094 . . . . 0.0 109.311 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 6.0 tptm -62.41 151.67 36.37 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.613 1.196 . . . . 0.0 109.402 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -44.82 141.59 2.08 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.481 1.113 . . . . 0.0 109.277 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 75' ' ' GLY . . . . . 0.491 ' CA ' ' HG2' ' A' ' 78' ' ' GLN . . . 91.71 -50.35 2.89 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.556 1.16 . . . . 0.0 110.99 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -71.64 -35.0 70.27 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.535 0.786 . . . . 0.0 109.34 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 33.7 t80 -71.86 -29.75 64.7 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.522 1.139 . . . . 0.0 111.062 179.913 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 78' ' ' GLN . . . . . 0.491 ' HG2' ' CA ' ' A' ' 75' ' ' GLY . 2.8 mm100 -68.43 -36.85 79.65 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.483 1.115 . . . . 0.0 110.313 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 79' ' ' LYS . . . . . 0.425 ' O ' ' HB3' ' A' ' 82' ' ' ALA . 9.1 mttt -61.01 -39.22 88.9 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.535 1.147 . . . . 0.0 109.276 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 80' ' ' TRP . . . . . 0.515 ' CD1' HD11 ' A' ' 84' ' ' LEU . 2.6 t90 -60.7 -52.34 65.53 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 108.02 -1.104 . . . . 0.0 108.02 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 81' ' ' TYR . . . . . 0.578 ' CD1' ' CE1' ' A' ' 86' ' ' TYR . 0.1 OUTLIER -52.66 -29.24 25.36 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.56 1.162 . . . . 0.0 111.003 179.992 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 82' ' ' ALA . . . . . 0.425 ' HB3' ' O ' ' A' ' 79' ' ' LYS . . . -70.42 -8.53 51.58 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.544 1.153 . . . . 0.0 109.355 179.927 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 83' ' ' GLY . . . . . 0.782 ' C ' HD13 ' A' ' 84' ' ' LEU . . . -94.93 -26.71 12.16 Favored Glycine 0 CA--C 1.531 1.073 0 O-C-N 124.481 1.113 . . . . 0.0 111.006 -179.917 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.782 HD13 ' C ' ' A' ' 83' ' ' GLY . 0.0 OUTLIER -138.77 65.08 1.46 Allowed 'General case' 0 C--N 1.327 -0.396 0 O-C-N 124.547 0.793 . . . . 0.0 109.267 -179.999 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 56.6 m-20 -47.55 157.34 0.24 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.524 1.14 . . . . 0.0 109.345 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 86' ' ' TYR . . . . . 0.613 ' CD1' ' N ' ' A' ' 86' ' ' TYR . 0.0 OUTLIER 178.97 81.23 0.17 Allowed Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.547 1.155 . . . . 0.0 110.981 179.989 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.0 1.65 7.5 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.543 1.812 . . . . 0.0 110.991 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 17.5 mttt -102.85 6.96 39.47 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.53 1.144 . . . . 0.0 109.33 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 0.534 HD12 ' HD2' ' A' ' 90' ' ' PRO . 1.9 tp -123.18 119.79 27.51 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.433 1.083 . . . . 0.0 109.369 179.946 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 90' ' ' PRO . . . . . 0.534 ' HD2' HD12 ' A' ' 89' ' ' LEU . 18.5 Cg_endo -74.92 127.34 10.67 Favored 'Trans proline' 0 C--N 1.358 1.062 0 O-C-N 124.432 1.754 . . . . 0.0 111.021 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 91' ' ' VAL . . . . . 0.43 ' O ' ' HB ' ' A' ' 11' ' ' THR . 7.5 t -145.8 117.94 2.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.473 1.108 . . . . 0.0 109.273 -179.938 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 92' ' ' VAL . . . . . 0.743 HG22 HG22 ' A' ' 11' ' ' THR . 46.3 t -112.14 134.21 55.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.57 1.169 . . . . 0.0 109.238 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 93' ' ' THR . . . . . 0.424 ' O ' HD22 ' A' ' 9' ' ' LEU . 4.7 p -108.24 116.43 31.94 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.532 1.145 . . . . 0.0 110.322 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 94' ' ' ASP . . . . . 0.415 ' CG ' HD11 ' A' ' 9' ' ' LEU . 59.8 t0 -109.59 110.5 21.59 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.555 1.16 . . . . 0.0 109.344 179.907 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 41.3 t-20 -58.77 113.54 2.09 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.466 1.104 . . . . 0.0 109.331 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 87.25 -21.23 21.95 Favored Glycine 0 CA--C 1.529 0.946 0 O-C-N 124.532 1.145 . . . . 0.0 110.977 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 66.8 74.38 0.55 Allowed Glycine 0 CA--C 1.53 0.975 0 N-CA-C 111.018 -0.833 . . . . 0.0 111.018 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 98' ' ' THR . . . . . 0.463 ' O ' ' CB ' ' A' ' 102' ' ' SER . 1.0 OUTLIER -69.2 -29.2 67.12 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.491 0.759 . . . . 0.0 110.43 179.962 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 3.3 mt -77.54 -36.13 22.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.485 1.115 . . . . 0.0 109.288 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 100' ' ' ALA . . . . . 0.529 ' HA ' HD12 ' A' ' 105' ' ' ILE . . . -70.28 -39.78 74.69 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.415 1.072 . . . . 0.0 109.322 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 7.2 pt20 -80.11 -31.87 39.11 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.514 1.134 . . . . 0.0 110.3 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 102' ' ' SER . . . . . 0.463 ' CB ' ' O ' ' A' ' 98' ' ' THR . 11.1 t -63.57 -32.71 74.25 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.526 1.141 . . . . 0.0 109.99 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 103' ' ' LEU . . . . . 0.638 HD21 HG11 ' A' ' 120' ' ' VAL . 7.6 mt -100.58 -8.05 23.4 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.513 1.133 . . . . 0.0 109.318 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 37.0 t30 62.07 62.01 1.27 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.552 1.157 . . . . 0.0 109.231 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 105' ' ' ILE . . . . . 0.75 ' O ' HG12 ' A' ' 107' ' ' VAL . 8.3 mt -94.83 -73.54 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.546 1.154 . . . . 0.0 109.315 179.951 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 106' ' ' SER . . . . . 0.767 ' C ' HD21 ' A' ' 69' ' ' LEU . 26.5 p 53.05 27.34 5.62 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.51 1.131 . . . . 0.0 109.978 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 107' ' ' VAL . . . . . 0.75 HG12 ' O ' ' A' ' 105' ' ' ILE . 2.4 p -148.51 131.97 8.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.431 1.082 . . . . 0.0 109.339 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 108' ' ' TYR . . . . . 1.069 ' CE2' HD22 ' A' ' 69' ' ' LEU . 15.8 m-85 -131.36 152.98 81.48 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.555 1.16 . . . . 0.0 110.994 -179.932 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 109' ' ' PRO . . . . . 0.526 ' C ' ' HA ' ' A' ' 108' ' ' TYR . 18.2 Cg_endo -74.99 173.59 57.08 Favored 'Cis proline' 0 C--N 1.36 1.181 0 C-N-CA 121.047 -2.48 . . . . 0.0 110.997 -0.014 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 110' ' ' SER . . . . . 0.428 ' O ' ' HA ' ' A' ' 30' ' ' LYS . 0.0 OUTLIER -155.59 154.04 31.06 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.576 1.173 . . . . 0.0 109.971 179.964 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 111' ' ' TRP . . . . . 0.491 ' CZ2' ' HD2' ' A' ' 30' ' ' LYS . 61.5 m95 -124.69 137.97 54.32 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.547 1.154 . . . . 0.0 107.992 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 112' ' ' ALA . . . . . 0.579 ' HB3' ' HB ' ' A' ' 29' ' ' ILE . . . -129.52 136.32 49.71 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.482 1.114 . . . . 0.0 109.283 -179.949 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 23.9 tp -108.64 133.72 52.35 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.415 1.072 . . . . 0.0 109.225 -179.931 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 114' ' ' ILE . . . . . 0.584 HG13 HD11 ' A' ' 29' ' ' ILE . 5.0 mm -122.13 119.42 58.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.491 1.119 . . . . 0.0 109.228 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 115' ' ' GLY . . . . . 0.453 ' CA ' ' HG3' ' A' ' 121' ' ' GLN . . . -49.99 164.51 0.61 Allowed Glycine 0 CA--C 1.529 0.945 0 O-C-N 124.518 1.136 . . . . 0.0 110.934 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.61 -15.08 63.41 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.47 0.747 . . . . 0.0 109.276 -179.946 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -78.83 -22.53 46.02 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.492 1.12 . . . . 0.0 109.294 179.952 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . 101.42 28.02 6.95 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.478 1.111 . . . . 0.0 110.969 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 3.1 p-10 -126.17 153.13 45.07 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.577 0.81 . . . . 0.0 109.311 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 120' ' ' VAL . . . . . 0.638 HG11 HD21 ' A' ' 103' ' ' LEU . 70.3 t -52.68 118.5 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.554 1.159 . . . . 0.0 109.304 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 121' ' ' GLN . . . . . 0.453 ' HG3' ' CA ' ' A' ' 115' ' ' GLY . 0.0 OUTLIER -96.01 -56.69 2.57 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.58 1.175 . . . . 0.0 110.39 179.941 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -151.7 150.7 30.52 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.535 1.147 . . . . 0.0 110.316 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 123' ' ' ILE . . . . . 0.474 HD12 HD22 ' A' ' 103' ' ' LEU . 14.0 tt -116.44 141.94 32.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 O-C-N 124.476 1.11 . . . . 0.0 109.318 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 16.0 t -134.24 130.34 54.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.469 1.106 . . . . 0.0 109.334 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -115.64 131.68 56.86 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.48 1.112 . . . . 0.0 109.254 -179.933 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . 121.87 -153.63 16.76 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.439 1.087 . . . . 0.0 111.008 -180.0 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -125.68 141.42 52.02 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.548 0.793 . . . . 0.0 109.938 -179.93 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 128' ' ' ILE . . . . . 0.446 HG22 ' OE1' ' A' ' 132' ' ' GLN . 4.1 pt -120.49 163.08 18.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.463 1.102 . . . . 0.0 109.323 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 129' ' ' ASN . . . . . . . . . . . . . 1.8 p30 -108.0 165.41 11.49 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.572 1.17 . . . . 0.0 109.344 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 130' ' ' GLU . . . . . 0.476 ' OE1' ' CD1' ' A' ' 49' ' ' TRP . 1.4 tt0 -51.24 -33.77 29.44 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.45 1.094 . . . . 0.0 110.318 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -56.99 -54.79 42.75 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.551 1.157 . . . . 0.0 109.289 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 132' ' ' GLN . . . . . 0.446 ' OE1' HG22 ' A' ' 128' ' ' ILE . 5.6 mt-30 -51.24 -48.0 62.23 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.482 1.114 . . . . 0.0 110.277 179.947 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 133' ' ' ALA . . . . . 0.468 ' HB1' ' CZ ' ' A' ' 55' ' ' PHE . . . -52.74 -45.87 67.21 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.526 1.142 . . . . 0.0 109.281 -179.942 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 134' ' ' LEU . . . . . 0.665 HD22 ' HG3' ' A' ' 54' ' ' LYS . 61.1 mt -70.85 -53.06 16.62 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.475 1.109 . . . . 0.0 109.366 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -51.68 -21.73 2.91 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.56 1.162 . . . . 0.0 109.215 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 136' ' ' LEU . . . . . 0.5 ' HA ' ' HB1' ' A' ' 142' ' ' ALA . 3.9 tp -75.45 -45.02 41.18 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.509 1.131 . . . . 0.0 109.265 -179.927 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 137' ' ' ILE . . . . . 0.619 HD13 ' O ' ' A' ' 54' ' ' LYS . 5.9 mt -81.19 -40.92 18.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 O-C-N 124.438 1.086 . . . . 0.0 109.327 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.57 -48.24 82.64 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.409 1.068 . . . . 0.0 110.4 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 139' ' ' ASP . . . . . 0.466 ' HB3' ' HB3' ' A' ' 142' ' ' ALA . 4.0 t70 -82.98 129.87 59.73 Favored Pre-proline 0 C--N 1.327 -0.398 0 O-C-N 124.522 1.139 . . . . 0.0 109.316 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -26.77 10.61 Favored 'Trans proline' 0 C--N 1.359 1.105 0 O-C-N 124.512 1.796 . . . . 0.0 110.974 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 141' ' ' ASN . . . . . . . . . . . . . 59.4 m-20 -79.08 -15.88 57.55 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.451 1.094 . . . . 0.0 109.269 -179.938 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 142' ' ' ALA . . . . . 0.5 ' HB1' ' HA ' ' A' ' 136' ' ' LEU . . . -91.79 94.83 9.54 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.59 1.181 . . . . 0.0 109.242 -179.924 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 143' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER 60.82 158.79 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.508 1.13 . . . . 0.0 109.272 179.935 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 1.8 mt . . . . . 0 C--N 1.324 -0.523 0 O-C-N 124.522 1.139 . . . . 0.0 109.333 179.983 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 24.6 mtt . . . . . 0 N--CA 1.453 -0.308 0 CA-C-O 120.493 0.187 . . . . 0.0 111.024 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' VAL . . . . . 0.855 HG22 ' HD2' ' A' ' 3' ' ' PRO . 0.4 OUTLIER -159.62 151.29 16.71 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.533 1.146 . . . . 0.0 109.339 179.96 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 3' ' ' PRO . . . . . 0.855 ' HD2' HG22 ' A' ' 2' ' ' VAL . 18.1 Cg_endo -74.91 -35.79 3.02 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.472 1.775 . . . . 0.0 111.036 -179.943 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 1.5 t-80 -47.56 -61.37 1.96 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.54 1.15 . . . . 0.0 109.577 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 4.9 m -58.4 -45.76 87.75 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.55 1.156 . . . . 0.0 110.368 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.592 HD12 HD12 ' A' ' 9' ' ' LEU . 21.6 tp -53.72 -44.04 69.55 Favored 'General case' 0 C--N 1.323 -0.555 0 O-C-N 124.52 1.138 . . . . 0.0 109.327 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 6.5 t -68.67 -22.88 64.36 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.589 1.181 . . . . 0.0 110.034 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 2.5 m -82.54 -27.46 31.64 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.556 1.16 . . . . 0.0 110.4 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.592 HD12 HD12 ' A' ' 6' ' ' LEU . 49.4 mt -47.21 153.84 0.44 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.523 1.139 . . . . 0.0 109.376 179.943 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.419 ' HA ' ' O ' ' A' ' 15' ' ' ARG . 11.0 mttt -133.83 150.58 51.41 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.508 1.13 . . . . 0.0 109.197 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 11' ' ' THR . . . . . 0.415 ' HA ' ' O ' ' A' ' 91' ' ' VAL . 37.9 p -83.63 -179.13 7.24 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.475 1.11 . . . . 0.0 110.45 179.929 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 12' ' ' ALA . . . . . 0.687 ' HB3' ' CD2' ' A' ' 81' ' ' TYR . . . -75.37 -3.52 34.09 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.531 1.144 . . . . 0.0 109.287 -179.954 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -104.99 18.16 22.86 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.515 1.134 . . . . 0.0 109.313 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 58.8 33.41 23.04 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.516 1.135 . . . . 0.0 109.29 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 15' ' ' ARG . . . . . 0.419 ' O ' ' HA ' ' A' ' 10' ' ' LYS . 0.0 OUTLIER -108.57 146.05 32.88 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.46 1.1 . . . . 0.0 110.276 179.997 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 16' ' ' PRO . . . . . 0.48 ' HG2' HG23 ' A' ' 19' ' ' VAL . 18.3 Cg_endo -75.03 136.6 20.55 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.575 1.829 . . . . 0.0 110.962 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -70.68 -27.9 64.37 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.426 1.079 . . . . 0.0 109.352 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' SER . . . . . 0.616 ' HA ' HD23 ' A' ' 21' ' ' LEU . 55.0 p -56.18 -18.38 10.0 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.501 1.125 . . . . 0.0 110.05 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.48 HG23 ' HG2' ' A' ' 16' ' ' PRO . 73.8 t -62.29 -31.21 50.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.395 1.06 . . . . 0.0 109.222 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 23.3 m-85 -121.75 28.81 7.44 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.506 1.129 . . . . 0.0 110.932 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.616 HD23 ' HA ' ' A' ' 18' ' ' SER . 0.4 OUTLIER -71.21 100.75 2.15 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.487 1.117 . . . . 0.0 109.199 -179.962 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 22' ' ' LYS . . . . . 0.551 ' CD ' ' O ' ' A' ' 25' ' ' LYS . 0.1 OUTLIER -39.6 98.58 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.47 1.106 . . . . 0.0 109.248 179.983 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.551 ' O ' ' CB ' ' A' ' 24' ' ' ASP . 17.7 tttt -67.04 64.86 0.06 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.461 1.101 . . . . 0.0 109.256 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 24' ' ' ASP . . . . . 0.551 ' CB ' ' O ' ' A' ' 23' ' ' LYS . 3.2 t70 85.82 31.22 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.52 1.137 . . . . 0.0 109.274 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.551 ' O ' ' CD ' ' A' ' 22' ' ' LYS . 15.2 mtpt -124.23 165.2 25.5 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.526 1.141 . . . . 0.0 109.296 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 26' ' ' PRO . . . . . 0.407 ' HD2' ' HB3' ' A' ' 25' ' ' LYS . 18.0 Cg_endo -75.0 134.48 17.86 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.451 1.764 . . . . 0.0 110.915 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 27' ' ' THR . . . . . 0.429 ' CB ' ' HG2' ' A' ' 22' ' ' LYS . 0.9 OUTLIER -121.04 143.01 49.28 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.535 1.147 . . . . 0.0 110.401 -179.993 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.903 HD12 ' O ' ' A' ' 112' ' ' ALA . 25.1 tp -122.93 129.98 52.26 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.518 1.136 . . . . 0.0 109.324 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.532 ' HB ' ' HB3' ' A' ' 112' ' ' ALA . 2.2 mp -107.02 152.91 8.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.42 1.075 . . . . 0.0 109.346 179.934 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.477 ' NZ ' ' CZ2' ' A' ' 111' ' ' TRP . 10.3 tptm -139.0 109.76 6.68 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.605 1.191 . . . . 0.0 109.267 -179.945 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 31' ' ' PHE . . . . . 0.584 ' HB3' ' CE1' ' A' ' 108' ' ' TYR . 66.3 m-85 -80.87 131.72 35.4 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.504 1.127 . . . . 0.0 110.985 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 32' ' ' TRP . . . . . 0.996 ' CZ3' HD11 ' A' ' 43' ' ' LEU . 5.8 p-90 -141.26 167.21 22.73 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 107.984 -1.117 . . . . 0.0 107.984 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -134.02 147.85 51.01 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.549 1.155 . . . . 0.0 109.244 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 34' ' ' SER . . . . . 0.589 ' OG ' ' CZ3' ' A' ' 80' ' ' TRP . 47.7 t -73.74 -18.59 60.97 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.452 1.095 . . . . 0.0 109.978 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 20.7 p-90 -91.18 -12.46 35.31 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.568 1.167 . . . . 0.0 107.935 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 34.5 t -86.35 114.81 59.46 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.526 1.141 . . . . 0.0 108.317 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 37' ' ' PRO . . . . . 0.461 ' HA ' HD12 ' A' ' 40' ' ' LEU . 18.4 Cg_endo -74.92 -48.42 0.18 Allowed 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.455 1.766 . . . . 0.0 111.002 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.406 ' HG ' ' N ' ' A' ' 39' ' ' CYS . 0.3 OUTLIER -52.19 -34.61 46.06 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.488 1.117 . . . . 0.0 109.292 -179.888 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 39' ' ' CYS . . . . . 0.406 ' N ' ' HG ' ' A' ' 38' ' ' LEU . 57.0 m -73.48 -43.47 60.1 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.523 1.139 . . . . 0.0 108.288 179.951 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.694 HD21 ' HH2' ' A' ' 80' ' ' TRP . 13.8 mt -51.3 -47.65 62.54 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.563 1.165 . . . . 0.0 109.264 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 2.6 p -70.44 -25.3 63.13 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.545 1.153 . . . . 0.0 110.011 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -77.7 -24.98 49.11 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.56 1.163 . . . . 0.0 110.279 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.996 HD11 ' CZ3' ' A' ' 32' ' ' TRP . 19.2 mt -50.55 -54.79 19.79 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.578 1.174 . . . . 0.0 109.343 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -53.1 -54.17 30.48 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.523 1.139 . . . . 0.0 110.961 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -61.1 -30.52 70.41 Favored 'General case' 0 C--N 1.327 -0.407 0 O-C-N 124.506 0.768 . . . . 0.0 110.327 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 51.9 m -69.12 -37.25 78.24 Favored 'General case' 0 C--N 1.327 -0.396 0 O-C-N 124.593 1.183 . . . . 0.0 110.438 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 13.8 tt0 -69.85 -37.42 76.13 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.462 1.101 . . . . 0.0 110.303 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -69.31 -33.11 72.65 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.436 1.085 . . . . 0.0 109.296 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 49' ' ' TRP . . . . . 0.408 ' HB3' ' CE2' ' A' ' 55' ' ' PHE . 46.9 m0 -76.26 -28.11 56.95 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 108.028 -1.101 . . . . 0.0 108.028 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -74.35 -8.94 57.95 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.524 1.14 . . . . 0.0 109.279 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -103.82 -17.08 15.2 Favored 'General case' 0 C--N 1.323 -0.554 0 O-C-N 124.569 1.168 . . . . 0.0 110.342 179.945 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.9 t0 -57.32 129.43 41.78 Favored 'General case' 0 C--N 1.327 -0.404 0 O-C-N 124.436 1.085 . . . . 0.0 109.296 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -58.37 -48.91 79.1 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.488 1.118 . . . . 0.0 109.263 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -49.2 -38.78 27.3 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.509 1.131 . . . . 0.0 109.302 -179.921 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 55' ' ' PHE . . . . . 0.764 ' CE1' HD12 ' A' ' 60' ' ' LEU . 0.1 OUTLIER -75.21 -28.55 60.01 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.467 1.105 . . . . 0.0 110.932 179.993 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -46.51 -40.16 12.07 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.476 1.11 . . . . 0.0 110.021 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 33.1 t -39.8 -55.22 2.0 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.47 1.106 . . . . 0.0 109.967 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 58' ' ' ALA . . . . . 0.404 ' O ' ' O ' ' A' ' 55' ' ' PHE . . . -106.97 165.78 11.09 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.534 1.147 . . . . 0.0 109.291 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 2.0 m-20 -89.04 130.08 35.56 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.407 1.067 . . . . 0.0 109.292 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.764 HD12 ' CE1' ' A' ' 55' ' ' PHE . 4.7 tt -116.72 125.93 52.4 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.57 1.169 . . . . 0.0 109.305 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.624 ' N ' HD23 ' A' ' 60' ' ' LEU . 1.8 pp -153.93 162.32 2.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 O-C-N 124.511 1.132 . . . . 0.0 109.343 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 62' ' ' THR . . . . . 0.537 ' HB ' ' CD1' ' A' ' 32' ' ' TRP . 55.1 p -111.82 147.6 35.38 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.5 1.125 . . . . 0.0 110.391 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 2.1 t -116.65 144.11 25.17 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.441 1.088 . . . . 0.0 109.272 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -134.66 146.47 49.54 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.564 1.165 . . . . 0.0 109.355 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 65' ' ' SER . . . . . 0.424 ' HG ' ' HD1' ' A' ' 68' ' ' PHE . 68.6 p -120.36 108.14 38.25 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.463 1.102 . . . . 0.0 109.937 -179.887 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.94 136.67 20.84 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.482 1.78 . . . . 0.0 111.028 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 72.11 6.18 63.91 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.483 1.114 . . . . 0.0 110.964 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 68' ' ' PHE . . . . . 0.424 ' HD1' ' HG ' ' A' ' 65' ' ' SER . 51.7 t80 -118.64 126.88 52.91 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.475 0.75 . . . . 0.0 110.998 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 1.2 tp 69.12 48.31 0.69 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.485 1.115 . . . . 0.0 109.314 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER 51.52 23.61 1.92 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.535 1.147 . . . . 0.0 109.633 179.947 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 71' ' ' GLU . . . . . 0.424 ' HG3' ' N ' ' A' ' 72' ' ' LYS . 6.5 tp10 -77.41 151.08 34.96 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.49 1.118 . . . . 0.0 110.348 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 72' ' ' LYS . . . . . 0.424 ' N ' ' HG3' ' A' ' 71' ' ' GLU . 0.0 OUTLIER -53.84 131.84 40.55 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.528 1.142 . . . . 0.0 109.329 179.966 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 1.6 tttt -62.58 148.1 47.13 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.447 1.092 . . . . 0.0 109.288 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -50.34 150.78 2.4 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.463 1.102 . . . . 0.0 109.314 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 75' ' ' GLY . . . . . 0.409 ' CA ' ' HG2' ' A' ' 78' ' ' GLN . . . 86.27 -48.91 4.0 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.401 1.063 . . . . 0.0 111.016 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -70.93 -36.09 72.51 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.577 0.81 . . . . 0.0 109.277 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 77' ' ' PHE . . . . . 0.474 ' CD1' ' C ' ' A' ' 77' ' ' PHE . 0.7 OUTLIER -77.5 -57.17 3.97 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.451 1.094 . . . . 0.0 111.005 179.963 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 78' ' ' GLN . . . . . 0.409 ' HG2' ' CA ' ' A' ' 75' ' ' GLY . 19.2 pt20 -50.94 -25.34 4.51 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.534 1.146 . . . . 0.0 110.33 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 9.0 mtpt -77.82 -49.02 15.14 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.531 1.145 . . . . 0.0 109.299 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 80' ' ' TRP . . . . . 0.729 ' CE2' HD11 ' A' ' 84' ' ' LEU . 14.2 t90 -54.11 -50.6 66.49 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.462 1.101 . . . . 0.0 108.035 179.876 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 81' ' ' TYR . . . . . 0.687 ' CD2' ' HB3' ' A' ' 12' ' ' ALA . 34.3 t80 -55.67 -39.7 71.28 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.58 1.175 . . . . 0.0 110.968 -179.941 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -60.66 -23.36 64.74 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.514 1.134 . . . . 0.0 109.274 -179.899 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -92.71 -19.53 37.17 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.487 1.117 . . . . 0.0 111.01 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.729 HD11 ' CE2' ' A' ' 80' ' ' TRP . 95.4 mt -71.32 163.21 28.11 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.429 0.723 . . . . 0.0 109.328 179.928 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 85' ' ' ASN . . . . . 0.439 ' N ' ' OD1' ' A' ' 85' ' ' ASN . 0.7 OUTLIER -96.54 -165.09 1.22 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.518 1.136 . . . . 0.0 109.302 179.957 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 86' ' ' TYR . . . . . 0.435 ' N ' ' HD3' ' A' ' 87' ' ' PRO . 62.7 m-85 53.93 62.57 8.81 Favored Pre-proline 0 C--N 1.324 -0.532 0 O-C-N 124.589 1.181 . . . . 0.0 110.993 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 87' ' ' PRO . . . . . 0.435 ' HD3' ' N ' ' A' ' 86' ' ' TYR . 18.3 Cg_endo -75.03 45.66 1.39 Allowed 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.445 1.761 . . . . 0.0 111.023 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 88' ' ' LYS . . . . . 0.405 ' H ' ' C ' ' A' ' 86' ' ' TYR . 12.9 mttp -136.16 8.39 3.19 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.482 1.114 . . . . 0.0 109.274 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 0.954 HD12 ' HD2' ' A' ' 90' ' ' PRO . 6.9 tp -98.71 128.3 33.05 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.576 1.172 . . . . 0.0 109.276 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 90' ' ' PRO . . . . . 0.954 ' HD2' HD12 ' A' ' 89' ' ' LEU . 18.6 Cg_endo -74.89 128.15 11.33 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.542 1.812 . . . . 0.0 111.07 179.924 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 91' ' ' VAL . . . . . 0.516 HG21 ' CE1' ' A' ' 81' ' ' TYR . 12.2 t -143.56 121.66 6.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 O-C-N 124.562 1.164 . . . . 0.0 109.348 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 92' ' ' VAL . . . . . 0.59 HG21 HD13 ' A' ' 61' ' ' ILE . 99.5 t -115.94 128.56 73.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.548 1.155 . . . . 0.0 109.266 -179.953 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 3.2 p -105.72 116.21 31.55 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.532 1.145 . . . . 0.0 110.402 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 53.5 t0 -113.94 111.74 22.19 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.52 1.137 . . . . 0.0 109.322 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 24.5 t-20 -56.82 118.07 4.56 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.518 1.136 . . . . 0.0 109.251 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 88.65 -21.71 24.76 Favored Glycine 0 CA--C 1.531 1.092 0 O-C-N 124.498 1.124 . . . . 0.0 110.896 179.914 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 71.8 55.84 7.03 Favored Glycine 0 CA--C 1.529 0.966 0 N-CA-C 110.948 -0.861 . . . . 0.0 110.948 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 3.4 m -52.54 -32.22 39.65 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.424 0.72 . . . . 0.0 110.287 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 99' ' ' ILE . . . . . 0.774 ' N ' HD13 ' A' ' 99' ' ' ILE . 1.2 mm -70.14 -37.49 72.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.52 1.137 . . . . 0.0 109.368 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 100' ' ' ALA . . . . . 0.486 ' HA ' HD12 ' A' ' 105' ' ' ILE . . . -76.95 -40.05 48.4 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.474 1.108 . . . . 0.0 109.275 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 1.6 mt-30 -72.4 -33.87 67.47 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.128 . . . . 0.0 110.219 -179.951 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 3.3 m -65.34 -35.44 80.98 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.528 1.143 . . . . 0.0 109.965 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 103' ' ' LEU . . . . . 0.684 HD21 HG11 ' A' ' 120' ' ' VAL . 39.9 mt -104.74 12.41 32.81 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.444 1.09 . . . . 0.0 109.321 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 14.4 t30 43.87 70.46 0.32 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.506 1.129 . . . . 0.0 109.324 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 105' ' ' ILE . . . . . 0.486 HD12 ' HA ' ' A' ' 100' ' ' ALA . 68.5 mt -109.2 151.66 11.46 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 O-C-N 124.465 1.103 . . . . 0.0 109.285 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 8.9 p -162.88 29.83 0.1 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.474 1.109 . . . . 0.0 110.025 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 2.0 p -147.26 132.3 11.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.456 1.097 . . . . 0.0 109.275 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 108' ' ' TYR . . . . . 0.584 ' CE1' ' HB3' ' A' ' 31' ' ' PHE . 22.7 m-85 -130.77 152.91 81.34 Favored Pre-proline 0 C--N 1.324 -0.532 0 O-C-N 124.488 1.117 . . . . 0.0 111.006 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 109' ' ' PRO . . . . . 0.536 ' C ' ' HA ' ' A' ' 108' ' ' TYR . 18.4 Cg_endo -74.86 171.99 65.11 Favored 'Cis proline' 0 C--N 1.36 1.174 0 C-N-CA 121.014 -2.494 . . . . 0.0 111.028 -0.121 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 110' ' ' SER . . . . . 0.407 ' O ' ' HA ' ' A' ' 30' ' ' LYS . 0.4 OUTLIER -146.27 164.16 33.2 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.526 1.141 . . . . 0.0 110.081 179.864 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 111' ' ' TRP . . . . . 0.477 ' CZ2' ' NZ ' ' A' ' 30' ' ' LYS . 58.6 m95 -134.66 138.13 44.19 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.515 1.135 . . . . 0.0 108.017 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 112' ' ' ALA . . . . . 0.903 ' O ' HD12 ' A' ' 28' ' ' LEU . . . -129.16 138.27 51.67 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.437 1.086 . . . . 0.0 109.261 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 113' ' ' LEU . . . . . 0.58 HD23 ' HB3' ' A' ' 121' ' ' GLN . 15.2 tp -108.41 136.28 48.29 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.42 1.075 . . . . 0.0 109.352 179.938 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 114' ' ' ILE . . . . . 0.513 HG13 HD11 ' A' ' 29' ' ' ILE . 4.7 mm -122.15 118.99 57.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.446 1.091 . . . . 0.0 109.343 179.936 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 115' ' ' GLY . . . . . 0.408 ' N ' ' HB2' ' A' ' 121' ' ' GLN . . . -51.69 164.58 1.19 Allowed Glycine 0 CA--C 1.531 1.067 0 O-C-N 124.43 1.081 . . . . 0.0 111.012 -179.957 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.83 -9.88 48.23 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.598 0.822 . . . . 0.0 109.33 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -87.19 -23.35 24.82 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.551 1.157 . . . . 0.0 109.297 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . 103.85 25.9 6.99 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.539 1.149 . . . . 0.0 110.948 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 20.1 p-10 -122.6 158.71 29.36 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.487 0.757 . . . . 0.0 109.321 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 120' ' ' VAL . . . . . 0.684 HG11 HD21 ' A' ' 103' ' ' LEU . 63.7 t -57.79 117.14 1.41 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.595 1.184 . . . . 0.0 109.321 -179.929 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 121' ' ' GLN . . . . . 0.58 ' HB3' HD23 ' A' ' 113' ' ' LEU . 8.1 tt0 -94.44 -49.19 5.79 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.489 1.118 . . . . 0.0 110.252 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -155.7 155.1 32.56 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.501 1.126 . . . . 0.0 110.298 -179.952 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 123' ' ' ILE . . . . . 0.504 HD12 HD13 ' A' ' 103' ' ' LEU . 7.8 tt -123.55 137.77 55.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.468 1.105 . . . . 0.0 109.293 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 96.2 t -128.86 137.64 56.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.503 1.127 . . . . 0.0 109.339 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -115.79 125.41 52.69 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.539 1.15 . . . . 0.0 109.296 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . 116.61 -149.4 18.78 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.554 1.159 . . . . 0.0 111.082 -179.928 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -122.02 161.16 23.48 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.512 0.771 . . . . 0.0 110.017 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 128' ' ' ILE . . . . . 0.572 HG22 ' CD ' ' A' ' 132' ' ' GLN . 10.0 pt -135.36 166.59 27.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.501 1.126 . . . . 0.0 109.227 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 129' ' ' ASN . . . . . 0.437 ' OD1' ' HB3' ' A' ' 131' ' ' ALA . 1.0 OUTLIER -107.12 166.47 10.6 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.551 1.157 . . . . 0.0 109.253 -179.985 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 18.3 tt0 -51.93 -36.31 48.73 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.485 1.116 . . . . 0.0 110.272 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 131' ' ' ALA . . . . . 0.437 ' HB3' ' OD1' ' A' ' 129' ' ' ASN . . . -61.28 -51.03 70.6 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.46 1.1 . . . . 0.0 109.274 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 132' ' ' GLN . . . . . 0.572 ' CD ' HG22 ' A' ' 128' ' ' ILE . 4.0 mt-30 -50.94 -44.61 60.41 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.414 1.071 . . . . 0.0 110.275 -179.925 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -53.03 -46.41 68.44 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.41 1.069 . . . . 0.0 109.3 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 9.0 mt -61.34 -53.6 54.64 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.456 1.097 . . . . 0.0 109.251 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -57.31 -31.06 65.29 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.545 1.153 . . . . 0.0 109.35 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 9.1 tp -67.03 -45.99 75.82 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.477 1.111 . . . . 0.0 109.321 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 137' ' ' ILE . . . . . . . . . . . . . 9.4 mt -75.49 -27.48 19.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.436 1.085 . . . . 0.0 109.351 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.26 -47.61 19.66 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.463 1.102 . . . . 0.0 110.253 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 61.8 t0 -156.41 119.92 2.31 Favored Pre-proline 0 C--N 1.326 -0.423 0 O-C-N 124.434 1.084 . . . . 0.0 109.282 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 -13.82 21.22 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.516 1.798 . . . . 0.0 111.006 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 141' ' ' ASN . . . . . . . . . . . . . 75.2 m-20 -81.62 -23.6 36.9 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.593 1.183 . . . . 0.0 109.301 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -52.54 104.81 0.1 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.545 1.153 . . . . 0.0 109.3 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 143' ' ' ASP . . . . . . . . . . . . . 7.3 t0 -152.1 155.15 37.33 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.497 1.123 . . . . 0.0 109.271 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 144' ' ' LEU . . . . . 0.431 HD22 ' C ' ' A' ' 144' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.46 0 O-C-N 124.483 1.114 . . . . 0.0 109.312 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.468 ' HG2' ' HZ3' ' A' ' 23' ' ' LYS . 16.9 mtt . . . . . 0 N--CA 1.452 -0.356 0 CA-C-O 120.46 0.172 . . . . 0.0 111.053 . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 2' ' ' VAL . . . . . 0.423 ' N ' ' HD3' ' A' ' 3' ' ' PRO . 14.9 m -146.94 64.24 8.88 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.522 1.139 . . . . 0.0 109.338 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 3' ' ' PRO . . . . . 0.423 ' HD3' ' N ' ' A' ' 2' ' ' VAL . 18.0 Cg_endo -75.02 -39.81 1.08 Allowed 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.391 1.732 . . . . 0.0 110.931 -179.958 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 7.6 p-80 -61.95 -29.77 70.47 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.525 1.14 . . . . 0.0 109.621 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 20.1 m -69.93 -53.36 18.23 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.48 1.113 . . . . 0.0 110.425 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 5.4 mt -70.54 -35.52 73.17 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.481 1.113 . . . . 0.0 109.296 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 41.3 t -63.53 -23.33 67.34 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.48 1.113 . . . . 0.0 109.989 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 3.2 m -77.07 -5.86 50.53 Favored 'General case' 0 C--N 1.323 -0.556 0 O-C-N 124.545 1.153 . . . . 0.0 110.386 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.633 HD12 ' HA ' ' A' ' 94' ' ' ASP . 2.2 mm? -100.02 130.47 46.18 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.477 1.111 . . . . 0.0 109.278 -179.93 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 28.9 mttm -113.7 155.76 25.0 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.546 1.154 . . . . 0.0 109.328 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 14.7 p -82.59 -178.6 7.14 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.488 1.118 . . . . 0.0 110.355 -179.947 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' ALA . . . . . 0.532 ' CB ' ' CG ' ' A' ' 81' ' ' TYR . . . -70.32 -9.18 55.38 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.536 1.148 . . . . 0.0 109.392 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -101.01 23.58 10.54 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.561 1.163 . . . . 0.0 109.354 179.947 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 50.3 33.68 7.79 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.523 1.139 . . . . 0.0 109.244 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 11.0 mmt85 -110.39 160.32 28.88 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.577 1.173 . . . . 0.0 110.312 179.93 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' PRO . . . . . 0.494 ' HG2' HG23 ' A' ' 19' ' ' VAL . 18.2 Cg_endo -75.04 139.44 24.17 Favored 'Trans proline' 0 C--N 1.358 1.074 0 O-C-N 124.547 1.814 . . . . 0.0 110.938 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -74.07 -21.63 59.85 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.48 1.112 . . . . 0.0 109.326 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 97.2 p -59.58 -26.33 65.33 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.513 1.133 . . . . 0.0 110.026 179.905 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.494 HG23 ' HG2' ' A' ' 16' ' ' PRO . 39.9 t -67.51 -20.41 26.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 O-C-N 124.468 1.105 . . . . 0.0 109.322 -179.906 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 35.0 m-85 -120.22 21.71 11.65 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.504 1.128 . . . . 0.0 110.961 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -129.43 107.04 9.19 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.426 1.079 . . . . 0.0 109.271 179.941 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 15.7 tptt -100.36 125.95 46.66 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.445 1.091 . . . . 0.0 109.303 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.468 ' HZ3' ' HG2' ' A' ' 1' ' ' MET . 2.1 tttt -85.38 16.74 3.51 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.432 1.083 . . . . 0.0 109.313 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 14.3 t70 -133.51 9.2 3.97 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.532 1.145 . . . . 0.0 109.249 -179.933 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 1.3 mmmt -148.37 159.74 38.38 Favored Pre-proline 0 C--N 1.324 -0.531 0 O-C-N 124.492 1.12 . . . . 0.0 109.343 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 141.98 27.39 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.474 1.776 . . . . 0.0 110.989 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 41.9 m -122.32 123.19 40.83 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.416 1.072 . . . . 0.0 110.322 -179.94 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 12.0 tp -102.02 127.68 48.79 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.573 1.171 . . . . 0.0 109.322 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.492 ' HB ' ' HB3' ' A' ' 112' ' ' ALA . 2.8 mt -108.69 148.7 12.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.474 1.109 . . . . 0.0 109.269 -179.93 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.479 ' HG3' ' CE2' ' A' ' 111' ' ' TRP . 0.6 OUTLIER -138.63 120.96 15.94 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.533 1.145 . . . . 0.0 109.275 -179.971 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 31' ' ' PHE . . . . . 0.612 ' CZ ' HD12 ' A' ' 105' ' ' ILE . 55.9 m-85 -92.32 129.77 38.18 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.552 1.157 . . . . 0.0 110.989 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 32' ' ' TRP . . . . . 0.722 ' CE2' HD11 ' A' ' 43' ' ' LEU . 13.1 p-90 -137.26 171.94 13.74 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.529 1.143 . . . . 0.0 108.004 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -135.78 153.94 51.37 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.526 1.142 . . . . 0.0 109.34 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 34' ' ' SER . . . . . 0.502 ' OG ' ' CE3' ' A' ' 80' ' ' TRP . 31.0 t -80.73 -23.54 39.39 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.544 1.153 . . . . 0.0 109.938 -179.903 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 51.2 p-90 -83.76 -2.9 57.26 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.583 1.177 . . . . 0.0 108.022 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 46.2 t -100.75 108.73 55.16 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.556 1.16 . . . . 0.0 108.305 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.9 -37.47 2.09 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.42 1.748 . . . . 0.0 111.104 179.923 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.451 ' O ' HD22 ' A' ' 38' ' ' LEU . 1.7 tm? -62.15 -29.69 70.52 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.543 1.152 . . . . 0.0 109.324 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 39' ' ' CYS . . . . . 0.469 ' O ' HD23 ' A' ' 43' ' ' LEU . 4.3 m -78.61 -46.31 19.61 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.43 1.081 . . . . 0.0 108.291 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 30.4 mt -51.61 -46.12 63.45 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.46 1.1 . . . . 0.0 109.335 179.913 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 24.0 p -63.49 -25.2 68.15 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.49 1.118 . . . . 0.0 110.049 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -88.9 -27.27 21.1 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.46 1.1 . . . . 0.0 110.246 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.722 HD11 ' CE2' ' A' ' 32' ' ' TRP . 0.1 OUTLIER -50.7 -44.95 58.14 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.44 1.088 . . . . 0.0 109.363 179.982 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -60.31 -50.61 65.74 Favored Glycine 0 CA--C 1.532 1.111 0 O-C-N 124.44 1.088 . . . . 0.0 110.991 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 4.9 tp-100 -61.05 -30.53 70.38 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.537 0.786 . . . . 0.0 110.3 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 23.8 m -65.79 -34.15 77.51 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.493 1.121 . . . . 0.0 110.494 179.928 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 47' ' ' GLU . . . . . 0.425 ' OE2' ' N ' ' A' ' 89' ' ' LEU . 58.8 tt0 -71.14 -31.39 67.67 Favored 'General case' 0 C--N 1.327 -0.413 0 O-C-N 124.466 1.104 . . . . 0.0 110.246 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 1.3 tttm -78.18 -31.97 49.88 Favored 'General case' 0 C--N 1.323 -0.554 0 O-C-N 124.589 1.181 . . . . 0.0 109.218 -179.893 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 49' ' ' TRP . . . . . 0.556 ' HB3' ' CE2' ' A' ' 55' ' ' PHE . 45.1 m0 -72.94 -28.09 62.23 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.577 1.173 . . . . 0.0 107.97 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -72.23 -9.01 57.9 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.471 1.107 . . . . 0.0 109.406 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 9.4 mt-30 -103.25 -14.62 16.27 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.496 1.122 . . . . 0.0 110.292 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 52' ' ' ASP . . . . . 0.403 ' OD1' ' N ' ' A' ' 55' ' ' PHE . 1.9 t70 -63.1 133.72 54.91 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.524 1.14 . . . . 0.0 109.278 179.931 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -60.59 -47.44 86.2 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.471 1.107 . . . . 0.0 109.275 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 54' ' ' LYS . . . . . 0.541 ' HD2' HD22 ' A' ' 134' ' ' LEU . 0.3 OUTLIER -50.82 -39.41 53.11 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.44 1.087 . . . . 0.0 109.307 179.967 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 55' ' ' PHE . . . . . 0.608 ' CE1' HD12 ' A' ' 60' ' ' LEU . 0.6 OUTLIER -76.56 -30.69 57.17 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.542 1.151 . . . . 0.0 110.968 -179.958 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 2.3 p -47.17 -39.33 13.55 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.526 1.141 . . . . 0.0 110.079 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -40.82 -56.36 2.22 Favored 'General case' 0 C--N 1.327 -0.413 0 O-C-N 124.489 1.118 . . . . 0.0 110.036 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -104.91 165.6 10.96 Favored 'General case' 0 C--N 1.323 -0.554 0 O-C-N 124.512 1.133 . . . . 0.0 109.264 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 1.4 m-20 -89.23 122.34 32.41 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.589 1.181 . . . . 0.0 109.23 -179.917 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.772 ' C ' HD23 ' A' ' 60' ' ' LEU . 2.2 tt -108.07 126.02 52.25 Favored 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.55 1.156 . . . . 0.0 109.217 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.543 ' N ' HD23 ' A' ' 60' ' ' LEU . 1.0 OUTLIER -152.5 162.12 2.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 O-C-N 124.541 1.15 . . . . 0.0 109.295 179.984 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 62' ' ' THR . . . . . 0.477 ' OG1' HG22 ' A' ' 91' ' ' VAL . 34.5 p -116.83 150.27 38.65 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.441 1.088 . . . . 0.0 110.413 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 63' ' ' VAL . . . . . 0.428 HG23 HG23 ' A' ' 29' ' ' ILE . 2.1 t -119.94 141.72 38.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.558 1.161 . . . . 0.0 109.319 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 64' ' ' ALA . . . . . 0.68 ' CB ' ' CZ ' ' A' ' 77' ' ' PHE . . . -134.63 132.53 39.08 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.474 1.109 . . . . 0.0 109.238 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 22.1 m -108.7 107.92 60.44 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.43 1.081 . . . . 0.0 110.044 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 136.84 20.99 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.505 1.792 . . . . 0.0 111.018 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 75.96 2.9 72.97 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.505 1.128 . . . . 0.0 111.053 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 68' ' ' PHE . . . . . 0.632 ' CE2' HD23 ' A' ' 69' ' ' LEU . 49.8 t80 -117.98 129.99 55.92 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.458 0.74 . . . . 0.0 111.017 179.942 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.632 HD23 ' CE2' ' A' ' 68' ' ' PHE . 1.0 OUTLIER 71.89 35.07 1.4 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 0.0 109.194 179.926 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 10.0 t60 71.07 6.58 5.9 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.461 1.1 . . . . 0.0 109.615 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 71' ' ' GLU . . . . . 0.423 ' HG3' ' N ' ' A' ' 72' ' ' LYS . 6.7 tp10 -61.87 151.66 33.98 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.534 1.146 . . . . 0.0 110.26 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 72' ' ' LYS . . . . . 0.423 ' N ' ' HG3' ' A' ' 71' ' ' GLU . 0.1 OUTLIER -63.0 140.61 58.89 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.503 1.127 . . . . 0.0 109.288 179.991 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.44 161.44 11.76 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.496 1.122 . . . . 0.0 109.317 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -51.65 146.39 7.83 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.513 1.133 . . . . 0.0 109.268 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 86.14 -42.76 3.18 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.542 1.151 . . . . 0.0 111.067 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -75.71 -30.56 59.33 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.501 0.765 . . . . 0.0 109.325 179.9 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 77' ' ' PHE . . . . . 0.68 ' CZ ' ' CB ' ' A' ' 64' ' ' ALA . 73.9 t80 -77.67 -56.68 4.32 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.563 1.164 . . . . 0.0 111.001 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 15.1 pt20 -53.31 -29.86 35.81 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.465 1.103 . . . . 0.0 110.285 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -64.91 -33.56 76.32 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.431 1.082 . . . . 0.0 109.347 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 80' ' ' TRP . . . . . 0.502 ' CE3' ' OG ' ' A' ' 34' ' ' SER . 1.9 t90 -70.3 -45.43 66.31 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 107.959 -1.126 . . . . 0.0 107.959 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 81' ' ' TYR . . . . . 0.532 ' CG ' ' CB ' ' A' ' 12' ' ' ALA . 23.2 t80 -54.48 -30.01 51.87 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.431 1.082 . . . . 0.0 111.017 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -64.84 -12.71 51.3 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.618 1.198 . . . . 0.0 109.268 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -111.36 -7.97 23.84 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.596 1.185 . . . . 0.0 111.02 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.606 HD11 ' CH2' ' A' ' 32' ' ' TRP . 12.5 mt -66.26 172.06 4.23 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.484 0.756 . . . . 0.0 109.281 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 85' ' ' ASN . . . . . 0.426 ' O ' ' C ' ' A' ' 86' ' ' TYR . 4.7 m120 -52.49 -175.16 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.483 1.114 . . . . 0.0 109.269 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 86' ' ' TYR . . . . . 0.426 ' C ' ' O ' ' A' ' 85' ' ' ASN . 0.1 OUTLIER -35.85 154.3 0.07 OUTLIER Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.466 1.104 . . . . 0.0 110.959 179.983 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 1.58 7.55 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.504 1.791 . . . . 0.0 111.055 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 3.0 mttm -76.91 -4.19 42.57 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.44 1.088 . . . . 0.0 109.282 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 0.591 HD12 ' HD2' ' A' ' 90' ' ' PRO . 6.5 tp -85.16 119.3 72.3 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.416 1.073 . . . . 0.0 109.249 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 90' ' ' PRO . . . . . 0.591 ' HD2' HD12 ' A' ' 89' ' ' LEU . 18.3 Cg_endo -74.98 127.83 11.01 Favored 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.528 1.804 . . . . 0.0 111.035 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 91' ' ' VAL . . . . . 0.477 HG22 ' OG1' ' A' ' 62' ' ' THR . 3.0 t -147.29 118.31 1.52 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.534 1.146 . . . . 0.0 109.327 179.952 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 92' ' ' VAL . . . . . 0.429 ' O ' ' N ' ' A' ' 64' ' ' ALA . 75.4 t -105.4 135.84 41.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.528 1.142 . . . . 0.0 109.291 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 1.6 p -114.01 112.46 23.3 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.422 1.076 . . . . 0.0 110.33 -179.921 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 94' ' ' ASP . . . . . 0.633 ' HA ' HD12 ' A' ' 9' ' ' LEU . 22.3 t0 -114.76 110.93 20.46 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.514 1.134 . . . . 0.0 109.356 179.923 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 28.2 t-20 -60.13 120.74 10.31 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.5 1.125 . . . . 0.0 109.315 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 83.48 -11.8 54.28 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.543 1.152 . . . . 0.0 110.956 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 56.07 63.16 5.55 Favored Glycine 0 CA--C 1.53 1.01 0 N-CA-C 110.969 -0.853 . . . . 0.0 110.969 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 1.8 m -51.66 -49.35 62.5 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.439 0.729 . . . . 0.0 110.347 -179.942 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 4.3 mt -63.57 -41.87 94.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 O-C-N 124.551 1.157 . . . . 0.0 109.251 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 100' ' ' ALA . . . . . 0.433 ' O ' ' N ' ' A' ' 104' ' ' ASN . . . -63.35 -44.43 94.87 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.551 1.157 . . . . 0.0 109.282 -179.944 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 5.4 mt-30 -72.25 -38.07 68.97 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.546 1.154 . . . . 0.0 110.284 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 34.7 p -61.49 -30.55 70.68 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.508 1.13 . . . . 0.0 110.009 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 103' ' ' LEU . . . . . 0.532 HD22 HD13 ' A' ' 123' ' ' ILE . 7.7 mt -103.36 -11.33 17.97 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.503 1.127 . . . . 0.0 109.337 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 104' ' ' ASN . . . . . 0.433 ' N ' ' O ' ' A' ' 100' ' ' ALA . 15.9 t-20 67.05 58.72 0.56 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.473 1.108 . . . . 0.0 109.293 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 105' ' ' ILE . . . . . 0.612 HD12 ' CZ ' ' A' ' 31' ' ' PHE . 35.4 mt -103.62 85.99 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.46 1.1 . . . . 0.0 109.293 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 85.0 p -105.31 26.14 9.77 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.563 1.164 . . . . 0.0 109.945 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 107' ' ' VAL . . . . . 0.428 ' O ' ' OG ' ' A' ' 110' ' ' SER . 1.4 p -140.35 132.83 32.79 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.561 0 O-C-N 124.58 1.175 . . . . 0.0 109.343 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 108' ' ' TYR . . . . . 0.563 ' CE1' ' HB3' ' A' ' 31' ' ' PHE . 21.9 m-85 -130.73 154.4 81.8 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.556 1.16 . . . . 0.0 111.027 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 109' ' ' PRO . . . . . 0.535 ' C ' ' HA ' ' A' ' 108' ' ' TYR . 18.5 Cg_endo -75.01 -178.6 23.96 Favored 'Cis proline' 0 C--N 1.36 1.181 0 C-N-CA 121.034 -2.486 . . . . 0.0 111.06 -0.037 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 110' ' ' SER . . . . . 0.428 ' OG ' ' O ' ' A' ' 107' ' ' VAL . 0.7 OUTLIER -157.77 164.25 37.26 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.349 1.03 . . . . 0.0 109.937 179.998 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 111' ' ' TRP . . . . . 0.479 ' CE2' ' HG3' ' A' ' 30' ' ' LYS . 71.7 m95 -137.82 137.51 38.24 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.544 1.153 . . . . 0.0 107.998 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 112' ' ' ALA . . . . . 0.492 ' HB3' ' HB ' ' A' ' 29' ' ' ILE . . . -128.65 138.72 52.32 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.439 1.087 . . . . 0.0 109.258 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 20.7 tp -108.79 135.76 49.48 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.543 1.152 . . . . 0.0 109.328 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 114' ' ' ILE . . . . . 0.754 HD13 ' HA ' ' A' ' 120' ' ' VAL . 36.4 mm -121.72 122.11 66.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.603 1.189 . . . . 0.0 109.275 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 115' ' ' GLY . . . . . 0.438 ' N ' ' O ' ' A' ' 119' ' ' ASP . . . -49.6 168.96 0.2 Allowed Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.503 1.127 . . . . 0.0 110.968 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.3 -15.25 63.49 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.533 0.784 . . . . 0.0 109.325 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -81.43 -21.2 39.04 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.583 1.177 . . . . 0.0 109.315 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . 99.54 31.07 6.24 Favored Glycine 0 CA--C 1.529 0.941 0 O-C-N 124.568 1.168 . . . . 0.0 111.019 179.931 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 119' ' ' ASP . . . . . 0.438 ' O ' ' N ' ' A' ' 115' ' ' GLY . 3.1 p-10 -124.18 160.68 27.33 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.47 0.747 . . . . 0.0 109.251 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 120' ' ' VAL . . . . . 0.754 ' HA ' HD13 ' A' ' 114' ' ' ILE . 56.1 t -60.25 117.55 2.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.544 1.152 . . . . 0.0 109.332 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -97.34 -52.81 3.67 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.528 1.142 . . . . 0.0 110.354 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -149.05 157.46 43.42 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.587 1.179 . . . . 0.0 110.303 179.946 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 123' ' ' ILE . . . . . 0.532 HD13 HD22 ' A' ' 103' ' ' LEU . 1.1 tt -119.98 137.95 52.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.476 1.11 . . . . 0.0 109.291 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 72.3 t -135.4 131.1 51.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.549 1.156 . . . . 0.0 109.279 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -120.78 132.1 54.85 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.498 1.124 . . . . 0.0 109.26 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . 123.36 -147.18 16.63 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.484 1.115 . . . . 0.0 111.015 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -127.75 150.16 49.92 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.548 0.793 . . . . 0.0 110.118 179.953 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 128' ' ' ILE . . . . . 0.444 HG22 ' NE2' ' A' ' 132' ' ' GLN . 7.2 pt -131.74 162.55 39.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.448 1.093 . . . . 0.0 109.31 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 129' ' ' ASN . . . . . . . . . . . . . 2.0 p30 -107.01 166.81 10.34 Favored 'General case' 0 C--N 1.323 -0.552 0 O-C-N 124.506 1.129 . . . . 0.0 109.34 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 13.2 tt0 -52.5 -39.29 61.09 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.528 1.142 . . . . 0.0 110.216 -179.886 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -60.5 -50.05 75.09 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.443 1.089 . . . . 0.0 109.272 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 132' ' ' GLN . . . . . 0.444 ' NE2' HG22 ' A' ' 128' ' ' ILE . 26.9 mt-30 -51.01 -44.99 61.07 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.437 1.085 . . . . 0.0 110.317 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 133' ' ' ALA . . . . . 0.474 ' O ' HD12 ' A' ' 137' ' ' ILE . . . -53.47 -49.89 66.48 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.441 1.088 . . . . 0.0 109.286 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 134' ' ' LEU . . . . . 0.541 HD22 ' HD2' ' A' ' 54' ' ' LYS . 11.0 mt -54.01 -52.29 61.28 Favored 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.525 1.14 . . . . 0.0 109.375 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -59.94 -34.16 72.88 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.552 1.158 . . . . 0.0 109.305 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -65.36 -48.14 74.01 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.467 1.105 . . . . 0.0 109.337 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 137' ' ' ILE . . . . . 0.474 HD12 ' O ' ' A' ' 133' ' ' ALA . 3.6 mt -70.64 -22.28 23.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.524 1.14 . . . . 0.0 109.33 179.948 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -80.61 -47.49 14.05 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.398 1.061 . . . . 0.0 110.257 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 39.0 t0 -163.67 125.47 1.55 Allowed Pre-proline 0 C--N 1.324 -0.521 0 O-C-N 124.502 1.126 . . . . 0.0 109.387 179.941 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.93 -4.99 16.24 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.42 1.747 . . . . 0.0 110.97 -179.935 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 141' ' ' ASN . . . . . . . . . . . . . 84.0 m-20 -86.03 -24.38 26.41 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.587 1.179 . . . . 0.0 109.275 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -53.77 110.72 0.62 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.59 1.181 . . . . 0.0 109.396 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 143' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -45.28 146.0 1.02 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.491 1.12 . . . . 0.0 109.295 -179.922 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 4.5 mt . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.516 1.135 . . . . 0.0 109.293 -179.989 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.8 ttm . . . . . 0 N--CA 1.452 -0.362 0 CA-C-O 120.501 0.191 . . . . 0.0 111.025 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 3.1 m -141.37 65.68 22.1 Favored Pre-proline 0 C--N 1.326 -0.441 0 O-C-N 124.499 1.124 . . . . 0.0 109.26 -179.885 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.94 -51.66 0.12 Allowed 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.455 1.766 . . . . 0.0 110.895 -179.939 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' HIS . . . . . 0.435 ' O ' ' N ' ' A' ' 8' ' ' THR . 30.5 m-70 -49.55 -46.85 49.25 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.565 1.166 . . . . 0.0 109.539 -179.86 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 22.1 m -59.03 -50.85 72.51 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.465 1.103 . . . . 0.0 110.476 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.688 HD21 HD21 ' A' ' 21' ' ' LEU . 1.0 OUTLIER -57.4 -48.1 79.98 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.523 1.139 . . . . 0.0 109.324 179.967 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -68.84 -24.07 64.32 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.489 1.118 . . . . 0.0 110.031 179.911 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 8' ' ' THR . . . . . 0.435 ' N ' ' O ' ' A' ' 4' ' ' HIS . 5.6 m -80.58 -18.87 46.96 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.529 1.143 . . . . 0.0 110.467 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.416 HD23 ' HA ' ' A' ' 9' ' ' LEU . 14.9 mt -70.06 148.05 49.27 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.581 1.175 . . . . 0.0 109.319 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 10.3 mttm -125.71 150.42 47.69 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.495 1.122 . . . . 0.0 109.307 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' THR . . . . . 0.409 ' HA ' ' O ' ' A' ' 91' ' ' VAL . 16.9 p -77.44 179.97 6.14 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.55 1.156 . . . . 0.0 110.461 179.915 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -73.3 -5.15 37.68 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.519 1.137 . . . . 0.0 109.379 179.946 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -104.52 24.34 11.84 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.421 1.075 . . . . 0.0 109.24 -179.921 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER 48.96 41.6 19.16 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.482 1.114 . . . . 0.0 109.361 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -117.99 155.63 50.98 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.58 1.175 . . . . 0.0 110.277 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.07 135.69 19.28 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.461 1.769 . . . . 0.0 111.047 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.533 ' HA ' ' CZ ' ' A' ' 20' ' ' TYR . . . -59.48 -26.95 65.68 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.549 1.155 . . . . 0.0 109.354 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 18' ' ' SER . . . . . 0.44 ' HA ' ' CB ' ' A' ' 21' ' ' LEU . 78.0 p -54.94 -24.98 26.41 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.511 1.132 . . . . 0.0 109.987 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 2.8 t -44.94 -42.09 2.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.47 1.106 . . . . 0.0 109.187 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' TYR . . . . . 0.763 ' CE1' HD13 ' A' ' 61' ' ' ILE . 2.8 p90 -112.85 -12.06 13.36 Favored 'General case' 0 C--N 1.323 -0.547 0 O-C-N 124.523 1.139 . . . . 0.0 111.029 -179.946 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.688 HD21 HD21 ' A' ' 6' ' ' LEU . 0.2 OUTLIER -76.24 118.43 18.95 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.535 1.147 . . . . 0.0 109.283 -179.929 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 22' ' ' LYS . . . . . 0.429 ' O ' ' N ' ' A' ' 24' ' ' ASP . 18.3 mttm -113.83 110.9 20.87 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.437 1.086 . . . . 0.0 109.294 -179.954 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.67 57.78 0.13 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.484 1.115 . . . . 0.0 109.261 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 24' ' ' ASP . . . . . 0.429 ' N ' ' O ' ' A' ' 22' ' ' LYS . 1.0 OUTLIER 167.59 38.39 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.541 1.151 . . . . 0.0 109.29 179.981 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 1.3 mtpt -166.22 161.26 12.54 Favored Pre-proline 0 C--N 1.324 -0.53 0 O-C-N 124.432 1.083 . . . . 0.0 109.291 -179.935 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 144.23 29.94 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.463 1.77 . . . . 0.0 111.026 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 89.3 m -126.11 133.95 51.49 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.483 1.114 . . . . 0.0 110.39 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.823 HD21 ' CE3' ' A' ' 111' ' ' TRP . 2.2 tp -115.52 134.66 54.86 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.471 1.107 . . . . 0.0 109.295 -179.944 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.527 ' HB ' ' HB3' ' A' ' 112' ' ' ALA . 5.3 mt -115.79 145.57 21.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.567 1.167 . . . . 0.0 109.307 -179.953 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.531 ' HD3' ' CZ2' ' A' ' 111' ' ' TRP . 0.4 OUTLIER -136.57 111.03 8.53 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.485 1.116 . . . . 0.0 109.314 -179.93 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 31' ' ' PHE . . . . . 0.652 ' CE1' HD11 ' A' ' 105' ' ' ILE . 50.7 m-85 -86.51 132.24 33.97 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.54 1.15 . . . . 0.0 110.959 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 32' ' ' TRP . . . . . 0.958 ' CZ3' HD11 ' A' ' 43' ' ' LEU . 9.7 p-90 -136.75 170.2 16.48 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.496 1.123 . . . . 0.0 107.997 179.948 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -125.79 149.01 48.94 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.452 1.095 . . . . 0.0 109.282 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 34' ' ' SER . . . . . 0.516 ' HA ' HD11 ' A' ' 40' ' ' LEU . 0.1 OUTLIER -78.38 -33.26 49.0 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.463 1.102 . . . . 0.0 109.974 -179.995 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 19.8 p-90 -73.58 -6.55 47.29 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.501 1.126 . . . . 0.0 108.049 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 36' ' ' CYS . . . . . 0.582 ' O ' HD12 ' A' ' 40' ' ' LEU . 48.7 t -97.37 110.75 55.97 Favored Pre-proline 0 C--N 1.326 -0.437 0 O-C-N 124.52 1.138 . . . . 0.0 108.285 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -41.66 0.62 Allowed 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.497 1.788 . . . . 0.0 111.03 179.926 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 2.0 tm? -57.73 -33.17 68.16 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.457 1.098 . . . . 0.0 109.27 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 1.3 m -72.89 -51.42 18.72 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.471 1.107 . . . . 0.0 108.313 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.582 HD12 ' O ' ' A' ' 36' ' ' CYS . 0.6 OUTLIER -52.25 -35.06 48.86 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.525 1.141 . . . . 0.0 109.24 -179.995 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.7 m -73.41 -25.66 60.63 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.523 1.139 . . . . 0.0 109.959 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -84.04 -15.32 47.96 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.547 1.154 . . . . 0.0 110.296 -179.94 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.958 HD11 ' CZ3' ' A' ' 32' ' ' TRP . 60.3 mt -56.96 -55.02 40.0 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.552 1.157 . . . . 0.0 109.315 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -49.93 -50.27 33.2 Favored Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.485 1.116 . . . . 0.0 110.968 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 1.3 tt0 -63.35 -29.32 70.64 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.521 0.777 . . . . 0.0 110.341 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 51.8 m -72.85 -37.25 67.45 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.47 1.107 . . . . 0.0 110.384 179.948 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 27.6 tt0 -67.09 -28.66 68.36 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.496 1.123 . . . . 0.0 110.278 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 11.2 tttt -78.28 -29.22 47.84 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.482 1.113 . . . . 0.0 109.249 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 49' ' ' TRP . . . . . 0.484 ' HB3' ' CE2' ' A' ' 55' ' ' PHE . 45.0 m0 -75.56 -28.08 58.87 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.478 1.111 . . . . 0.0 108.031 -179.932 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -74.31 -9.24 58.4 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.125 . . . . 0.0 109.268 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 10.5 mm-40 -105.09 -12.78 15.98 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.461 1.101 . . . . 0.0 110.225 -179.942 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 2.7 t70 -69.25 128.47 36.7 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.487 1.117 . . . . 0.0 109.277 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -53.94 -48.36 70.32 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.47 1.106 . . . . 0.0 109.353 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 54' ' ' LYS . . . . . 0.555 ' CG ' HD22 ' A' ' 134' ' ' LEU . 0.0 OUTLIER -49.19 -40.62 34.04 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.458 1.099 . . . . 0.0 109.291 179.997 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 55' ' ' PHE . . . . . 0.7 ' CZ ' ' CB ' ' A' ' 133' ' ' ALA . 2.2 m-85 -76.59 -28.34 56.14 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.515 1.134 . . . . 0.0 111.065 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 56' ' ' SER . . . . . 0.4 ' O ' ' C ' ' A' ' 57' ' ' SER . 5.0 t -53.67 -40.19 65.71 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.475 1.11 . . . . 0.0 110.026 179.931 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 57' ' ' SER . . . . . 0.4 ' C ' ' O ' ' A' ' 56' ' ' SER . 0.3 OUTLIER -39.04 -37.1 0.34 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.502 1.126 . . . . 0.0 110.04 179.936 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -125.17 165.64 17.89 Favored 'General case' 0 C--N 1.327 -0.411 0 O-C-N 124.492 1.12 . . . . 0.0 109.219 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 59' ' ' ASN . . . . . 0.461 ' ND2' ' N ' ' A' ' 59' ' ' ASN . 0.3 OUTLIER -89.08 124.11 34.0 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.574 1.171 . . . . 0.0 109.235 -179.988 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.75 ' C ' HD23 ' A' ' 60' ' ' LEU . 2.9 tt -111.72 127.42 55.77 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.555 1.159 . . . . 0.0 109.251 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.881 HD12 HG21 ' A' ' 92' ' ' VAL . 5.8 pt -152.35 161.0 3.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.464 1.102 . . . . 0.0 109.291 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 62' ' ' THR . . . . . 0.413 ' HA ' ' O ' ' A' ' 30' ' ' LYS . 32.5 p -113.26 155.58 24.84 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.509 1.131 . . . . 0.0 110.404 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 63' ' ' VAL . . . . . 0.509 HG23 HG23 ' A' ' 29' ' ' ILE . 2.9 t -125.44 143.24 39.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.493 1.121 . . . . 0.0 109.317 179.917 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 64' ' ' ALA . . . . . 0.461 ' N ' ' O ' ' A' ' 92' ' ' VAL . . . -134.27 150.13 50.98 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.541 1.15 . . . . 0.0 109.306 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 65' ' ' SER . . . . . 0.47 ' CB ' ' HB3' ' A' ' 68' ' ' PHE . 2.9 m -121.68 108.83 34.81 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.529 1.143 . . . . 0.0 109.982 -179.946 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 66' ' ' PRO . . . . . 0.453 ' HA ' ' O ' ' A' ' 72' ' ' LYS . 18.4 Cg_endo -74.96 134.88 18.42 Favored 'Trans proline' 0 C--N 1.359 1.116 0 O-C-N 124.55 1.816 . . . . 0.0 110.989 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 62.89 15.74 55.83 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.512 1.133 . . . . 0.0 110.986 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 68' ' ' PHE . . . . . 0.498 ' CE1' ' HB2' ' A' ' 69' ' ' LEU . 2.9 t80 -123.66 131.65 53.66 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.481 0.754 . . . . 0.0 111.029 179.939 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.973 HD23 ' CE2' ' A' ' 108' ' ' TYR . 6.2 tp 67.79 48.84 0.99 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.464 1.103 . . . . 0.0 109.266 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 98.0 m-70 55.75 23.6 6.49 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.513 1.133 . . . . 0.0 109.641 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 71' ' ' GLU . . . . . 0.436 ' HG3' ' N ' ' A' ' 72' ' ' LYS . 5.5 tp10 -88.53 154.7 20.14 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.426 1.079 . . . . 0.0 110.302 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 72' ' ' LYS . . . . . 0.453 ' O ' ' HA ' ' A' ' 66' ' ' PRO . 0.2 OUTLIER -59.21 141.56 53.97 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.448 1.092 . . . . 0.0 109.311 179.97 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.36 162.28 17.95 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.554 1.159 . . . . 0.0 109.248 -179.915 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -56.08 161.84 2.2 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.512 1.133 . . . . 0.0 109.273 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 78.13 -52.13 3.65 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.53 1.144 . . . . 0.0 110.978 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -63.62 -52.16 62.08 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.544 0.79 . . . . 0.0 109.297 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 68.6 t80 -59.29 -26.97 65.43 Favored 'General case' 0 C--N 1.327 -0.403 0 O-C-N 124.343 1.027 . . . . 0.0 110.992 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 8.3 mt-30 -67.99 -34.88 77.38 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.512 1.133 . . . . 0.0 110.312 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 3.3 mtmt -73.03 -40.2 65.34 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.464 1.103 . . . . 0.0 109.26 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 80' ' ' TRP . . . . . 0.663 ' CD1' HD23 ' A' ' 84' ' ' LEU . 1.2 t90 -54.87 -51.23 66.6 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.565 1.166 . . . . 0.0 107.99 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 62.1 t80 -54.3 -40.31 67.79 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.533 1.146 . . . . 0.0 110.983 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -75.85 -1.4 25.07 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.53 1.144 . . . . 0.0 109.337 -179.934 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -94.28 -26.98 12.65 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.47 1.106 . . . . 0.0 111.043 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.663 HD23 ' CD1' ' A' ' 80' ' ' TRP . 2.2 pp -105.36 152.73 22.59 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.557 0.798 . . . . 0.0 109.346 179.941 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 85' ' ' ASN . . . . . 0.506 ' O ' HD12 ' A' ' 84' ' ' LEU . 0.7 OUTLIER -80.6 -166.64 1.13 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.383 1.052 . . . . 0.0 109.3 179.92 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 86' ' ' TYR . . . . . 0.455 ' N ' ' HD3' ' A' ' 87' ' ' PRO . 7.4 m-85 68.61 60.91 0.66 Allowed Pre-proline 0 C--N 1.326 -0.438 0 O-C-N 124.533 1.145 . . . . 0.0 110.959 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 87' ' ' PRO . . . . . 0.455 ' HD3' ' N ' ' A' ' 86' ' ' TYR . 18.2 Cg_endo -75.02 -9.6 20.82 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.436 1.756 . . . . 0.0 111.014 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -77.17 -2.65 35.5 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.507 1.129 . . . . 0.0 109.234 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 0.939 HD12 ' HD2' ' A' ' 90' ' ' PRO . 4.7 tp -84.94 129.87 54.7 Favored Pre-proline 0 C--N 1.324 -0.531 0 O-C-N 124.533 1.146 . . . . 0.0 109.371 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 90' ' ' PRO . . . . . 0.939 ' HD2' HD12 ' A' ' 89' ' ' LEU . 18.5 Cg_endo -74.94 126.53 10.07 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.47 1.773 . . . . 0.0 111.019 -179.95 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 91' ' ' VAL . . . . . 0.409 ' O ' ' HA ' ' A' ' 11' ' ' THR . 58.2 t -138.01 125.56 29.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.486 1.116 . . . . 0.0 109.35 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 92' ' ' VAL . . . . . 0.881 HG21 HD12 ' A' ' 61' ' ' ILE . 47.5 t -118.46 127.02 75.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.423 1.077 . . . . 0.0 109.373 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 3.4 p -106.59 117.53 34.29 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.511 1.132 . . . . 0.0 110.347 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 94' ' ' ASP . . . . . 0.4 ' O ' ' HD2' ' A' ' 66' ' ' PRO . 63.7 t0 -114.84 109.95 18.94 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.512 1.132 . . . . 0.0 109.334 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 19.1 t-20 -63.98 117.97 7.78 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.43 1.081 . . . . 0.0 109.297 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 88.6 -31.48 4.88 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.493 1.12 . . . . 0.0 111.011 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 77.17 81.41 0.6 Allowed Glycine 0 CA--C 1.531 1.032 0 N-CA-C 110.954 -0.858 . . . . 0.0 110.954 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 1.8 m -75.93 -38.94 57.11 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.491 0.759 . . . . 0.0 110.419 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 2.8 mp -77.54 -36.46 23.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.52 1.137 . . . . 0.0 109.253 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -63.23 -38.51 91.47 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.476 1.11 . . . . 0.0 109.32 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 101' ' ' GLN . . . . . 0.405 ' HG3' ' N ' ' A' ' 102' ' ' SER . 18.7 pt20 -80.35 -38.4 30.6 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.472 1.108 . . . . 0.0 110.245 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 102' ' ' SER . . . . . 0.405 ' N ' ' HG3' ' A' ' 101' ' ' GLN . 18.3 t -56.37 -41.49 76.28 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.469 1.105 . . . . 0.0 110.003 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 103' ' ' LEU . . . . . 0.779 HD22 HD11 ' A' ' 123' ' ' ILE . 5.5 mt -87.07 -19.4 28.65 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.515 1.134 . . . . 0.0 109.387 179.95 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 12.0 t-20 68.28 53.41 0.6 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.476 1.11 . . . . 0.0 109.307 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 105' ' ' ILE . . . . . 0.652 HD11 ' CE1' ' A' ' 31' ' ' PHE . 68.3 mt -73.23 -100.43 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 O-C-N 124.515 1.134 . . . . 0.0 109.207 -179.942 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 106' ' ' SER . . . . . 0.535 ' CB ' ' O ' ' A' ' 105' ' ' ILE . 1.3 p 87.55 -18.89 0.26 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.519 1.137 . . . . 0.0 110.024 -179.896 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 5.0 m -110.36 131.78 60.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.124 . . . . 0.0 109.226 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 108' ' ' TYR . . . . . 0.973 ' CE2' HD23 ' A' ' 69' ' ' LEU . 20.9 m-85 -131.81 152.16 79.83 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.525 1.14 . . . . 0.0 111.033 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 109' ' ' PRO . . . . . 0.538 ' C ' ' HA ' ' A' ' 108' ' ' TYR . 18.5 Cg_endo -75.0 169.79 73.6 Favored 'Cis proline' 0 C--N 1.36 1.141 0 C-N-CA 121.015 -2.494 . . . . 0.0 111.008 0.002 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -144.84 163.05 35.25 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.509 1.131 . . . . 0.0 109.946 -179.923 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 111' ' ' TRP . . . . . 0.823 ' CE3' HD21 ' A' ' 28' ' ' LEU . 33.4 m95 -134.92 138.37 44.03 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.533 1.146 . . . . 0.0 107.939 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 112' ' ' ALA . . . . . 0.527 ' HB3' ' HB ' ' A' ' 29' ' ' ILE . . . -129.34 135.84 49.24 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.486 1.116 . . . . 0.0 109.295 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 50.4 tp -109.14 132.26 54.28 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.487 1.117 . . . . 0.0 109.33 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 114' ' ' ILE . . . . . 0.595 HD13 ' HA ' ' A' ' 120' ' ' VAL . 35.0 mm -121.36 125.83 74.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.492 1.12 . . . . 0.0 109.284 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 115' ' ' GLY . . . . . 0.473 ' CA ' ' HG3' ' A' ' 121' ' ' GLN . . . -54.3 165.99 2.45 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.522 1.139 . . . . 0.0 110.949 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -67.14 -14.38 62.85 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.491 0.759 . . . . 0.0 109.333 179.944 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -83.29 -23.41 32.64 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.484 1.115 . . . . 0.0 109.34 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . 102.48 28.29 6.43 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.468 1.105 . . . . 0.0 111.06 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 5.6 p-10 -118.04 154.55 31.85 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.564 0.803 . . . . 0.0 109.298 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 120' ' ' VAL . . . . . 0.595 ' HA ' HD13 ' A' ' 114' ' ' ILE . 81.2 t -60.87 115.73 1.61 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.437 1.086 . . . . 0.0 109.292 -179.901 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 121' ' ' GLN . . . . . 0.473 ' HG3' ' CA ' ' A' ' 115' ' ' GLY . 3.2 mt-30 -89.92 -60.3 1.97 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.506 1.129 . . . . 0.0 110.349 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -148.89 156.88 42.94 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.466 1.104 . . . . 0.0 110.275 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 123' ' ' ILE . . . . . 0.779 HD11 HD22 ' A' ' 103' ' ' LEU . 8.3 mm -121.76 134.74 64.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.503 1.127 . . . . 0.0 109.281 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 71.6 t -127.92 115.35 38.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.542 1.151 . . . . 0.0 109.273 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -95.32 137.02 34.95 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.511 1.132 . . . . 0.0 109.286 179.952 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . 109.1 -152.02 17.08 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.448 1.093 . . . . 0.0 111.027 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 1.3 m -118.81 159.02 24.49 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.503 0.766 . . . . 0.0 109.941 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 128' ' ' ILE . . . . . 0.741 HG22 ' CD ' ' A' ' 132' ' ' GLN . 3.4 pt -137.27 166.78 24.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.556 1.16 . . . . 0.0 109.366 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 129' ' ' ASN . . . . . 0.724 ' ND2' ' HB3' ' A' ' 131' ' ' ALA . 1.4 p-10 -107.5 167.89 9.62 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.496 1.123 . . . . 0.0 109.34 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 130' ' ' GLU . . . . . 0.422 ' HB2' ' CZ2' ' A' ' 49' ' ' TRP . 29.1 tt0 -51.58 -44.77 62.89 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.475 1.109 . . . . 0.0 110.399 179.928 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 131' ' ' ALA . . . . . 0.724 ' HB3' ' ND2' ' A' ' 129' ' ' ASN . . . -55.28 -50.23 70.07 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.612 1.195 . . . . 0.0 109.32 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 132' ' ' GLN . . . . . 0.741 ' CD ' HG22 ' A' ' 128' ' ' ILE . 8.7 mt-30 -51.46 -44.23 62.33 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.514 1.134 . . . . 0.0 110.295 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 133' ' ' ALA . . . . . 0.7 ' CB ' ' CZ ' ' A' ' 55' ' ' PHE . . . -55.96 -46.13 78.7 Favored 'General case' 0 C--N 1.323 -0.547 0 O-C-N 124.476 1.11 . . . . 0.0 109.306 179.926 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 134' ' ' LEU . . . . . 0.555 HD22 ' CG ' ' A' ' 54' ' ' LYS . 36.7 mt -60.08 -51.51 69.31 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.4 1.062 . . . . 0.0 109.347 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -60.44 -27.79 67.78 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.426 1.079 . . . . 0.0 109.335 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 136' ' ' LEU . . . . . 0.58 HD21 HD13 ' A' ' 28' ' ' LEU . 0.3 OUTLIER -72.13 -45.49 60.32 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.461 1.101 . . . . 0.0 109.254 -179.923 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 137' ' ' ILE . . . . . . . . . . . . . 6.4 mt -72.51 -21.42 19.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.512 1.133 . . . . 0.0 109.332 179.915 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -83.0 -47.58 11.56 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.525 1.141 . . . . 0.0 110.295 -179.934 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -166.36 131.19 1.75 Allowed Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.533 1.146 . . . . 0.0 109.273 179.934 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.98 -13.04 21.56 Favored 'Trans proline' 0 C--N 1.359 1.114 0 O-C-N 124.488 1.783 . . . . 0.0 111.011 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 141' ' ' ASN . . . . . . . . . . . . . 72.1 m-80 -81.19 -20.92 40.14 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.526 1.141 . . . . 0.0 109.283 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -57.05 164.77 1.5 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.486 1.116 . . . . 0.0 109.249 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 143' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 61.75 118.32 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.477 1.111 . . . . 0.0 109.278 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.324 -0.509 0 O-C-N 124.545 1.153 . . . . 0.0 109.236 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.318 0 CA-C-O 120.482 0.182 . . . . 0.0 111.048 . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 2' ' ' VAL . . . . . 0.434 ' N ' ' HD3' ' A' ' 3' ' ' PRO . 19.6 m -136.02 63.57 51.48 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.45 1.094 . . . . 0.0 109.366 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 3' ' ' PRO . . . . . 0.434 ' HD3' ' N ' ' A' ' 2' ' ' VAL . 18.3 Cg_endo -74.96 -63.46 0.03 OUTLIER 'Trans proline' 0 C--N 1.361 1.2 0 O-C-N 124.431 1.753 . . . . 0.0 110.994 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 4' ' ' HIS . . . . . 0.424 ' O ' ' N ' ' A' ' 8' ' ' THR . 3.8 p80 -74.48 -29.49 61.46 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.481 1.113 . . . . 0.0 109.628 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -58.06 -51.82 68.08 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.439 1.087 . . . . 0.0 110.377 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -68.29 -41.43 81.0 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.472 1.107 . . . . 0.0 109.323 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 4.8 t -66.33 -23.14 66.31 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.537 1.148 . . . . 0.0 110.035 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' THR . . . . . 0.424 ' N ' ' O ' ' A' ' 4' ' ' HIS . 3.2 m -72.78 -37.18 67.68 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.415 1.072 . . . . 0.0 110.393 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.508 HD13 ' HA ' ' A' ' 9' ' ' LEU . 1.9 mm? -50.78 131.63 26.1 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.52 1.138 . . . . 0.0 109.278 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 10.9 mtmm -105.17 153.97 20.82 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.476 1.11 . . . . 0.0 109.347 179.909 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' THR . . . . . 0.42 ' HA ' ' O ' ' A' ' 91' ' ' VAL . 41.3 p -81.53 176.79 9.38 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.496 1.122 . . . . 0.0 110.438 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -72.52 -14.28 61.61 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.489 1.118 . . . . 0.0 109.357 179.938 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 8.5 p-10 -99.87 27.22 5.61 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.423 1.077 . . . . 0.0 109.374 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER 47.32 64.7 1.48 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.616 1.197 . . . . 0.0 109.249 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 1.1 mtt-85 -139.35 150.05 62.72 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.462 1.101 . . . . 0.0 110.349 179.923 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' PRO . . . . . 0.85 ' O ' HG23 ' A' ' 19' ' ' VAL . 18.3 Cg_endo -75.06 128.97 11.86 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.521 1.801 . . . . 0.0 111.042 179.954 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -55.06 -22.91 17.59 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.523 1.14 . . . . 0.0 109.35 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -61.08 -19.51 61.51 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.542 1.151 . . . . 0.0 109.98 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.85 HG23 ' O ' ' A' ' 16' ' ' PRO . 44.3 t -43.42 -43.52 1.52 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.522 1.139 . . . . 0.0 109.27 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 20' ' ' TYR . . . . . 0.53 ' CZ ' HG21 ' A' ' 61' ' ' ILE . 8.3 p90 -111.35 -11.51 14.15 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.381 1.051 . . . . 0.0 111.016 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.498 ' O ' ' CB ' ' A' ' 22' ' ' LYS . 0.4 OUTLIER -89.34 107.03 18.83 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.509 1.13 . . . . 0.0 109.329 179.942 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 22' ' ' LYS . . . . . 0.498 ' CB ' ' O ' ' A' ' 21' ' ' LEU . 0.0 OUTLIER 163.35 -174.62 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.489 1.118 . . . . 0.0 109.222 -179.989 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER 67.88 24.84 7.97 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.514 1.134 . . . . 0.0 109.297 -179.938 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 58.7 m-20 44.05 39.11 2.59 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.555 1.16 . . . . 0.0 109.342 -179.937 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -104.69 161.14 23.71 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.362 1.038 . . . . 0.0 109.357 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 156.09 43.02 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.528 1.804 . . . . 0.0 111.026 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 27' ' ' THR . . . . . 0.447 HG23 ' HB2' ' A' ' 59' ' ' ASN . 81.3 m -133.25 139.63 47.05 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.404 1.065 . . . . 0.0 110.351 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.616 HD12 ' O ' ' A' ' 112' ' ' ALA . 47.1 tp -120.09 136.19 54.67 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.431 1.082 . . . . 0.0 109.269 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.541 HG23 HG23 ' A' ' 63' ' ' VAL . 2.5 mt -113.88 148.59 16.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.467 1.104 . . . . 0.0 109.266 -179.955 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.407 ' HA ' ' O ' ' A' ' 110' ' ' SER . 12.3 tttt -138.78 113.07 8.75 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.44 1.087 . . . . 0.0 109.339 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 31' ' ' PHE . . . . . 0.593 ' HB3' ' CE1' ' A' ' 108' ' ' TYR . 70.6 m-85 -87.4 131.36 34.33 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.485 1.115 . . . . 0.0 111.011 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 32' ' ' TRP . . . . . 1.046 ' CZ3' HD11 ' A' ' 43' ' ' LEU . 11.0 p-90 -136.78 170.14 16.58 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.526 1.141 . . . . 0.0 108.013 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -128.42 151.42 49.4 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.597 1.186 . . . . 0.0 109.349 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -79.71 -28.34 40.62 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.504 1.127 . . . . 0.0 110.006 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 45.5 p-90 -82.11 0.64 39.77 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 107.945 -1.132 . . . . 0.0 107.945 -179.889 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 47.4 t -100.41 108.94 55.35 Favored Pre-proline 0 C--N 1.324 -0.531 0 O-C-N 124.492 1.12 . . . . 0.0 108.255 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.0 -29.66 7.99 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.498 1.789 . . . . 0.0 110.962 179.934 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.447 ' O ' HD22 ' A' ' 38' ' ' LEU . 1.5 tm? -68.25 -30.9 70.04 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.439 1.087 . . . . 0.0 109.284 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 1.3 m -78.33 -44.02 26.27 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.55 1.156 . . . . 0.0 108.298 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.582 HD23 HD12 ' A' ' 43' ' ' LEU . 4.4 mt -51.61 -42.94 62.35 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.525 1.141 . . . . 0.0 109.279 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 82.0 p -68.23 -26.09 65.53 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.539 1.149 . . . . 0.0 109.953 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 42' ' ' GLU . . . . . 0.404 ' O ' ' N ' ' A' ' 46' ' ' THR . 1.5 tt0 -84.49 -23.58 29.79 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.567 1.167 . . . . 0.0 110.271 -179.919 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 1.046 HD11 ' CZ3' ' A' ' 32' ' ' TRP . 76.4 mt -49.43 -54.77 15.83 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.49 1.118 . . . . 0.0 109.316 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -55.63 -51.17 56.67 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.564 1.165 . . . . 0.0 110.972 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 2.8 tp-100 -61.22 -33.78 74.05 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.486 0.757 . . . . 0.0 110.328 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 46' ' ' THR . . . . . 0.404 ' N ' ' O ' ' A' ' 42' ' ' GLU . 31.6 m -68.02 -35.11 77.74 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.53 1.144 . . . . 0.0 110.428 179.854 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 47' ' ' GLU . . . . . 0.446 ' CG ' ' HB2' ' A' ' 89' ' ' LEU . 60.3 tt0 -67.57 -32.44 73.2 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.457 1.098 . . . . 0.0 110.289 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.9 -31.9 51.47 Favored 'General case' 0 C--N 1.323 -0.55 0 O-C-N 124.583 1.177 . . . . 0.0 109.288 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 49' ' ' TRP . . . . . 0.512 ' CE2' ' HB2' ' A' ' 130' ' ' GLU . 46.8 m0 -77.59 -28.58 51.69 Favored 'General case' 0 C--N 1.325 -0.5 0 N-CA-C 107.988 -1.115 . . . . 0.0 107.988 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -76.83 -17.35 59.05 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.482 1.114 . . . . 0.0 109.282 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -109.43 3.88 21.85 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.475 1.11 . . . . 0.0 110.325 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 52' ' ' ASP . . . . . 0.428 ' O ' ' N ' ' A' ' 56' ' ' SER . 0.9 OUTLIER -73.15 134.2 44.35 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.461 1.101 . . . . 0.0 109.244 -179.895 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -53.22 -52.01 60.3 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.535 1.147 . . . . 0.0 109.324 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 54' ' ' LYS . . . . . 0.549 ' CG ' HD22 ' A' ' 134' ' ' LEU . 0.6 OUTLIER -49.0 -43.8 40.64 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.506 1.129 . . . . 0.0 109.243 179.969 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 55' ' ' PHE . . . . . 0.943 ' CE1' HD12 ' A' ' 60' ' ' LEU . 0.1 OUTLIER -77.11 -27.43 54.06 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.501 1.125 . . . . 0.0 111.029 -179.978 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 56' ' ' SER . . . . . 0.428 ' N ' ' O ' ' A' ' 52' ' ' ASP . 12.1 t -45.91 -35.67 4.78 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.457 1.098 . . . . 0.0 109.978 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -46.38 -61.78 1.65 Allowed 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.452 1.095 . . . . 0.0 110.044 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -97.29 165.91 11.8 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.446 1.091 . . . . 0.0 109.325 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 59' ' ' ASN . . . . . 0.447 ' HB2' HG23 ' A' ' 27' ' ' THR . 52.2 m-20 -88.79 130.31 35.39 Favored 'General case' 0 C--N 1.323 -0.547 0 O-C-N 124.565 1.166 . . . . 0.0 109.337 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.943 HD12 ' CE1' ' A' ' 55' ' ' PHE . 5.7 tt -121.16 126.44 49.71 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.455 1.097 . . . . 0.0 109.332 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.612 ' N ' HD23 ' A' ' 60' ' ' LEU . 1.9 pp -150.6 161.26 3.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.454 1.096 . . . . 0.0 109.323 -179.957 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 38.8 p -110.15 156.66 20.31 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.562 1.164 . . . . 0.0 110.428 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 63' ' ' VAL . . . . . 0.541 HG23 HG23 ' A' ' 29' ' ' ILE . 2.6 t -127.14 142.16 44.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.51 1.131 . . . . 0.0 109.282 -179.948 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 64' ' ' ALA . . . . . 0.429 ' N ' ' O ' ' A' ' 92' ' ' VAL . . . -133.82 147.31 51.2 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.481 1.113 . . . . 0.0 109.307 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 57.5 p -121.24 108.45 36.08 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.548 1.155 . . . . 0.0 109.95 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.95 136.8 20.99 Favored 'Trans proline' 0 C--N 1.361 1.219 0 O-C-N 124.437 1.756 . . . . 0.0 110.98 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 68.72 11.03 62.08 Favored Glycine 0 CA--C 1.529 0.906 0 O-C-N 124.457 1.098 . . . . 0.0 111.049 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 68' ' ' PHE . . . . . 0.749 ' CD1' HD23 ' A' ' 69' ' ' LEU . 10.1 t80 -123.91 130.43 52.59 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.51 0.77 . . . . 0.0 110.947 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.749 HD23 ' CD1' ' A' ' 68' ' ' PHE . 2.7 mm? 69.08 48.39 0.69 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.51 1.131 . . . . 0.0 109.259 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 29.9 m-70 53.63 22.54 3.11 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.511 1.132 . . . . 0.0 109.621 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 71' ' ' GLU . . . . . 0.403 ' OE1' ' HA ' ' A' ' 71' ' ' GLU . 5.5 tp10 -83.52 151.87 25.19 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.43 1.082 . . . . 0.0 110.356 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 5.0 mmtt -60.1 137.27 58.14 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.381 1.05 . . . . 0.0 109.37 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 4.4 mtmt -63.15 165.7 6.92 Favored 'General case' 0 C--N 1.323 -0.566 0 O-C-N 124.522 1.139 . . . . 0.0 109.328 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -54.06 161.25 1.29 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.559 1.162 . . . . 0.0 109.229 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 77.41 -53.03 3.51 Favored Glycine 0 CA--C 1.531 1.087 0 O-C-N 124.491 1.12 . . . . 0.0 110.979 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -61.55 -52.46 64.35 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.528 0.781 . . . . 0.0 109.359 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 59.5 t80 -59.25 -27.16 65.53 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.505 1.128 . . . . 0.0 110.966 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 6.3 mt-30 -69.97 -30.26 67.57 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.486 1.116 . . . . 0.0 110.309 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -81.45 -37.86 27.33 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.511 1.132 . . . . 0.0 109.293 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 80' ' ' TRP . . . . . 0.702 ' CD1' HD21 ' A' ' 84' ' ' LEU . 2.1 t90 -63.02 -46.68 86.45 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.552 1.158 . . . . 0.0 108.078 179.945 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 81' ' ' TYR . . . . . 0.403 ' O ' ' O ' ' A' ' 84' ' ' LEU . 8.2 t80 -68.05 -28.02 67.02 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.541 1.151 . . . . 0.0 110.976 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -81.35 4.74 19.65 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.505 1.128 . . . . 0.0 109.321 179.938 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -115.79 -4.66 18.99 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.401 1.063 . . . . 0.0 110.999 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.702 HD21 ' CD1' ' A' ' 80' ' ' TRP . 0.1 OUTLIER -154.38 168.69 25.79 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.525 0.78 . . . . 0.0 109.364 179.92 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 85' ' ' ASN . . . . . 0.677 ' HB3' HD23 ' A' ' 89' ' ' LEU . 8.0 m-20 68.88 126.83 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.556 1.16 . . . . 0.0 109.317 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 86' ' ' TYR . . . . . 0.406 ' C ' ' H ' ' A' ' 88' ' ' LYS . 7.3 m-85 -74.85 164.67 59.8 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.467 1.105 . . . . 0.0 111.009 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 45.93 1.43 Allowed 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.451 1.764 . . . . 0.0 111.024 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 88' ' ' LYS . . . . . 0.406 ' H ' ' C ' ' A' ' 86' ' ' TYR . 0.9 OUTLIER -142.03 13.08 2.04 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.458 1.099 . . . . 0.0 109.334 -179.974 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 0.901 HD12 ' HD2' ' A' ' 90' ' ' PRO . 4.5 tp -116.31 127.54 26.68 Favored Pre-proline 0 C--N 1.326 -0.442 0 O-C-N 124.533 1.145 . . . . 0.0 109.357 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 90' ' ' PRO . . . . . 0.901 ' HD2' HD12 ' A' ' 89' ' ' LEU . 18.3 Cg_endo -75.07 127.2 10.44 Favored 'Trans proline' 0 C--N 1.359 1.105 0 O-C-N 124.62 1.852 . . . . 0.0 110.939 -179.941 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 91' ' ' VAL . . . . . 0.42 ' O ' ' HA ' ' A' ' 11' ' ' THR . 71.1 t -139.0 128.9 31.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.52 1.138 . . . . 0.0 109.368 179.938 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 92' ' ' VAL . . . . . 0.552 ' CG2' HD13 ' A' ' 61' ' ' ILE . 69.0 t -123.07 129.96 74.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.477 1.111 . . . . 0.0 109.288 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 4.7 p -113.42 117.46 31.79 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.446 1.091 . . . . 0.0 110.449 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 61.4 t0 -114.81 111.49 21.31 Favored 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.473 1.108 . . . . 0.0 109.3 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 1.5 m120 -58.85 113.79 2.23 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.477 1.111 . . . . 0.0 109.321 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 87.41 -18.17 39.21 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.52 1.137 . . . . 0.0 111.032 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 63.31 67.31 2.12 Favored Glycine 0 CA--C 1.531 1.079 0 N-CA-C 111.011 -0.835 . . . . 0.0 111.011 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 98' ' ' THR . . . . . 0.455 ' O ' ' CB ' ' A' ' 102' ' ' SER . 2.4 m -56.3 -34.22 66.3 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.578 0.81 . . . . 0.0 110.442 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 3.3 mt -74.99 -35.48 35.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.541 1.151 . . . . 0.0 109.226 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 100' ' ' ALA . . . . . 0.493 ' HA ' HD12 ' A' ' 105' ' ' ILE . . . -69.36 -40.2 77.64 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.532 1.145 . . . . 0.0 109.243 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 34.4 mt-30 -80.49 -35.86 34.14 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.508 1.13 . . . . 0.0 110.301 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 102' ' ' SER . . . . . 0.455 ' CB ' ' O ' ' A' ' 98' ' ' THR . 4.3 m -61.03 -47.11 87.95 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.541 1.151 . . . . 0.0 110.032 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 103' ' ' LEU . . . . . 0.61 HD13 HD12 ' A' ' 123' ' ' ILE . 10.4 mt -87.1 -6.69 58.59 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.502 1.126 . . . . 0.0 109.358 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 104' ' ' ASN . . . . . 0.41 ' O ' ' CG ' ' A' ' 104' ' ' ASN . 13.2 t-20 58.14 63.05 1.85 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.547 1.154 . . . . 0.0 109.332 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 105' ' ' ILE . . . . . 0.53 HG12 HD11 ' A' ' 123' ' ' ILE . 9.8 mt -95.63 -77.62 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.541 1.15 . . . . 0.0 109.272 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 1.6 p 53.77 26.01 5.64 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.536 1.147 . . . . 0.0 109.998 -179.928 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 107' ' ' VAL . . . . . 0.412 ' H ' HG22 ' A' ' 105' ' ' ILE . 7.6 p -141.55 132.57 26.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.557 1.161 . . . . 0.0 109.282 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 108' ' ' TYR . . . . . 0.593 ' CE1' ' HB3' ' A' ' 31' ' ' PHE . 15.3 m-85 -131.54 152.71 80.93 Favored Pre-proline 0 C--N 1.326 -0.435 0 O-C-N 124.436 1.085 . . . . 0.0 110.949 -179.922 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 109' ' ' PRO . . . . . 0.534 ' C ' ' HA ' ' A' ' 108' ' ' TYR . 18.4 Cg_endo -75.04 166.99 81.8 Favored 'Cis proline' 0 C--N 1.359 1.105 0 C-N-CA 121.059 -2.475 . . . . 0.0 110.948 0.092 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 110' ' ' SER . . . . . 0.407 ' O ' ' HA ' ' A' ' 30' ' ' LYS . 2.8 m -149.48 151.78 34.52 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.513 1.133 . . . . 0.0 110.009 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 111' ' ' TRP . . . . . . . . . . . . . 60.0 m95 -129.98 138.18 50.7 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.437 1.085 . . . . 0.0 108.073 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 112' ' ' ALA . . . . . 0.616 ' O ' HD12 ' A' ' 28' ' ' LEU . . . -134.53 137.65 44.0 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.573 1.171 . . . . 0.0 109.295 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 36.3 tp -108.46 139.19 43.55 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.422 1.076 . . . . 0.0 109.342 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 114' ' ' ILE . . . . . 0.53 HD13 ' HA ' ' A' ' 120' ' ' VAL . 43.5 mm -121.12 118.84 57.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.516 1.135 . . . . 0.0 109.305 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -41.18 161.88 0.02 OUTLIER Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.48 1.113 . . . . 0.0 111.03 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 9.2 pttt -68.59 -10.61 57.0 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.537 0.787 . . . . 0.0 109.347 179.919 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -89.67 -21.71 22.62 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.504 1.127 . . . . 0.0 109.29 -179.899 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . 102.2 31.92 5.13 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.497 1.123 . . . . 0.0 110.997 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 2.1 p-10 -121.7 149.97 42.46 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.49 0.759 . . . . 0.0 109.304 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 120' ' ' VAL . . . . . 0.53 ' HA ' HD13 ' A' ' 114' ' ' ILE . 29.5 t -55.73 116.96 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.442 1.089 . . . . 0.0 109.332 179.888 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -91.38 -61.99 1.53 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.546 1.154 . . . . 0.0 110.32 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 122' ' ' ARG . . . . . 0.408 ' CZ ' ' CB ' ' A' ' 122' ' ' ARG . 0.2 OUTLIER -158.33 155.06 28.11 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.493 1.121 . . . . 0.0 110.333 179.989 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 123' ' ' ILE . . . . . 0.61 HD12 HD13 ' A' ' 103' ' ' LEU . 2.9 tt -114.12 141.23 31.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.595 1.184 . . . . 0.0 109.328 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 85.6 t -125.41 124.9 67.99 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.555 0 O-C-N 124.509 1.131 . . . . 0.0 109.35 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 3.2 ptpt -105.58 118.0 35.46 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.46 1.1 . . . . 0.0 109.268 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . 131.54 -159.08 23.06 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.493 1.12 . . . . 0.0 110.98 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 1.8 m -117.5 162.78 17.42 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.473 0.749 . . . . 0.0 109.996 -179.916 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 128' ' ' ILE . . . . . . . . . . . . . 10.6 pt -139.01 163.21 27.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.578 1.174 . . . . 0.0 109.217 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 129' ' ' ASN . . . . . 0.506 ' OD1' ' HB3' ' A' ' 131' ' ' ALA . 1.1 p30 -107.71 167.78 9.72 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.464 1.102 . . . . 0.0 109.363 179.914 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 130' ' ' GLU . . . . . 0.512 ' HB2' ' CE2' ' A' ' 49' ' ' TRP . 0.7 OUTLIER -53.69 -31.78 49.21 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.515 1.134 . . . . 0.0 110.259 179.976 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 131' ' ' ALA . . . . . 0.506 ' HB3' ' OD1' ' A' ' 129' ' ' ASN . . . -65.82 -51.6 57.57 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.55 1.156 . . . . 0.0 109.304 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -51.66 -42.46 62.12 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.5 1.125 . . . . 0.0 110.327 179.948 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 133' ' ' ALA . . . . . 0.57 ' HB1' ' CZ ' ' A' ' 55' ' ' PHE . . . -54.54 -45.86 73.51 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.559 1.162 . . . . 0.0 109.247 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 134' ' ' LEU . . . . . 0.549 HD22 ' CG ' ' A' ' 54' ' ' LYS . 8.2 mt -60.44 -48.04 83.48 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.484 1.115 . . . . 0.0 109.324 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -62.36 -26.02 68.22 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.565 1.166 . . . . 0.0 109.272 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 136' ' ' LEU . . . . . 0.437 ' CD2' HD22 ' A' ' 28' ' ' LEU . 9.6 tp -74.1 -44.0 55.58 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.529 1.143 . . . . 0.0 109.369 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 137' ' ' ILE . . . . . 0.414 HD11 ' CD1' ' A' ' 55' ' ' PHE . 5.5 mt -74.44 -21.91 17.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.414 1.071 . . . . 0.0 109.28 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -82.94 -47.56 11.65 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.485 1.116 . . . . 0.0 110.293 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 41.6 t0 -139.49 125.87 12.33 Favored Pre-proline 0 C--N 1.324 -0.534 0 O-C-N 124.51 1.131 . . . . 0.0 109.361 179.923 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -22.07 15.23 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.42 1.747 . . . . 0.0 110.981 179.934 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 141' ' ' ASN . . . . . . . . . . . . . 81.2 m-20 -70.91 -22.81 62.21 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.633 1.208 . . . . 0.0 109.304 -179.944 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -50.32 123.97 9.55 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.453 1.096 . . . . 0.0 109.393 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 143' ' ' ASP . . . . . . . . . . . . . 26.3 t0 -106.9 152.11 24.36 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.489 1.118 . . . . 0.0 109.335 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.324 -0.507 0 O-C-N 124.618 1.199 . . . . 0.0 109.455 -179.891 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 4.7 mtt . . . . . 0 N--CA 1.453 -0.321 0 CA-C-O 120.548 0.213 . . . . 0.0 111.088 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' VAL . . . . . 0.805 HG22 ' OG1' ' A' ' 5' ' ' THR . 7.4 p -150.98 60.74 4.12 Favored Pre-proline 0 C--N 1.326 -0.436 0 O-C-N 124.58 1.175 . . . . 0.0 109.257 -179.908 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 3' ' ' PRO . . . . . 0.496 ' HD3' ' N ' ' A' ' 2' ' ' VAL . 18.1 Cg_endo -75.06 -32.15 5.55 Favored 'Trans proline' 0 C--N 1.361 1.214 0 O-C-N 124.449 1.763 . . . . 0.0 110.997 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 6.0 m170 -48.52 -60.22 2.86 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.593 1.183 . . . . 0.0 109.553 -179.945 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.805 ' OG1' HG22 ' A' ' 2' ' ' VAL . 72.4 p -60.76 -50.75 72.23 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.46 1.1 . . . . 0.0 110.307 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.419 HD13 ' HA ' ' A' ' 6' ' ' LEU . 0.0 OUTLIER -51.64 -36.45 46.15 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.424 1.077 . . . . 0.0 109.358 -179.947 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 1.4 m -75.34 -28.17 59.49 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.491 1.12 . . . . 0.0 109.998 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 1.3 m -74.8 -11.79 60.24 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.461 1.1 . . . . 0.0 110.367 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.589 HD11 ' CB ' ' A' ' 94' ' ' ASP . 3.7 mm? -76.42 114.02 14.67 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.508 1.13 . . . . 0.0 109.284 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.41 ' HA ' ' O ' ' A' ' 15' ' ' ARG . 0.4 OUTLIER -100.31 150.48 22.53 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.547 1.155 . . . . 0.0 109.253 179.956 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 11' ' ' THR . . . . . 0.571 HG22 HG22 ' A' ' 92' ' ' VAL . 34.3 p -88.62 175.2 7.64 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.502 1.126 . . . . 0.0 110.379 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -57.69 -21.03 38.05 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.477 1.111 . . . . 0.0 109.288 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -89.47 15.72 8.81 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.472 1.108 . . . . 0.0 109.295 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 52.57 30.22 8.25 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.507 1.129 . . . . 0.0 109.317 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 15' ' ' ARG . . . . . 0.41 ' O ' ' HA ' ' A' ' 10' ' ' LYS . 6.8 mtp180 -102.23 156.15 35.59 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.476 1.11 . . . . 0.0 110.311 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.13 124.61 8.67 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.486 1.782 . . . . 0.0 110.99 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.439 ' HB2' ' O ' ' A' ' 9' ' ' LEU . . . -46.16 -32.08 2.77 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.469 1.105 . . . . 0.0 109.339 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 24.8 p -51.21 -23.48 3.44 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.476 1.11 . . . . 0.0 109.949 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 20.1 t -64.26 -27.51 42.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.457 1.098 . . . . 0.0 109.361 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 14.8 m-85 -124.01 22.32 8.8 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.437 1.086 . . . . 0.0 110.998 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -120.5 110.92 17.05 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.479 1.112 . . . . 0.0 109.27 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -96.34 108.53 21.06 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.504 1.127 . . . . 0.0 109.319 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 9.9 mttt -72.38 53.59 0.3 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.492 1.12 . . . . 0.0 109.319 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 10.4 p-10 174.1 36.2 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.459 1.099 . . . . 0.0 109.32 -179.937 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -169.05 162.47 7.79 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.466 1.104 . . . . 0.0 109.306 -179.9 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 148.4 35.12 Favored 'Trans proline' 0 C--N 1.361 1.227 0 O-C-N 124.412 1.743 . . . . 0.0 111.038 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 27' ' ' THR . . . . . 0.549 HG23 ' HB2' ' A' ' 59' ' ' ASN . 39.7 m -130.17 125.4 34.93 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.513 1.133 . . . . 0.0 110.415 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 8.8 tp -105.84 127.9 53.41 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.506 1.129 . . . . 0.0 109.319 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.441 HG23 HG23 ' A' ' 63' ' ' VAL . 14.2 mt -110.78 148.7 13.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.588 1.18 . . . . 0.0 109.296 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.558 ' HB2' ' CE3' ' A' ' 111' ' ' TRP . 1.0 OUTLIER -138.92 113.24 8.81 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.417 1.073 . . . . 0.0 109.348 179.983 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 31' ' ' PHE . . . . . 0.699 ' CE1' ' CD1' ' A' ' 105' ' ' ILE . 59.1 m-85 -84.96 132.54 34.34 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.492 1.12 . . . . 0.0 111.062 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 32' ' ' TRP . . . . . 0.682 ' CZ3' HD21 ' A' ' 43' ' ' LEU . 4.8 p-90 -137.47 166.83 22.93 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 107.978 -1.119 . . . . 0.0 107.978 -179.878 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 33' ' ' ALA . . . . . 0.53 ' HB1' ' NE1' ' A' ' 35' ' ' TRP . . . -128.31 127.9 43.59 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.492 1.12 . . . . 0.0 109.284 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 5.2 m -54.11 -30.0 47.01 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.575 1.172 . . . . 0.0 110.004 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 35' ' ' TRP . . . . . 0.53 ' NE1' ' HB1' ' A' ' 33' ' ' ALA . 24.2 p-90 -76.69 -25.0 53.15 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.51 1.131 . . . . 0.0 108.022 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 36' ' ' CYS . . . . . 0.467 ' HB2' ' HB3' ' A' ' 33' ' ' ALA . 48.5 t -70.83 114.33 25.98 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.484 1.115 . . . . 0.0 108.305 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -42.37 0.52 Allowed 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.502 1.79 . . . . 0.0 110.972 -179.917 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.616 HD23 ' O ' ' A' ' 38' ' ' LEU . 5.3 tt -57.47 -34.24 68.82 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.47 1.106 . . . . 0.0 109.352 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 41.8 m -74.39 -43.45 56.37 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.54 1.15 . . . . 0.0 108.28 -179.92 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.477 ' HA ' HD12 ' A' ' 43' ' ' LEU . 46.5 mt -51.18 -48.7 61.86 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.47 1.106 . . . . 0.0 109.312 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -69.19 -24.99 64.11 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.543 1.152 . . . . 0.0 110.075 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 2.4 tp10 -77.45 -26.33 51.39 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.569 1.168 . . . . 0.0 110.312 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.682 HD21 ' CZ3' ' A' ' 32' ' ' TRP . 55.7 mt -44.18 -54.54 5.55 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.47 1.106 . . . . 0.0 109.287 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -51.32 -50.5 40.5 Favored Glycine 0 CA--C 1.531 1.057 0 O-C-N 124.481 1.113 . . . . 0.0 110.946 -179.936 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 45' ' ' GLN . . . . . 0.444 ' CG ' ' CE2' ' A' ' 49' ' ' TRP . 3.5 tt0 -61.06 -29.32 69.67 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.541 0.789 . . . . 0.0 110.265 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 46' ' ' THR . . . . . 0.526 ' O ' ' HB2' ' A' ' 50' ' ' ALA . 97.7 m -75.85 -39.79 55.93 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.59 1.181 . . . . 0.0 110.413 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 47' ' ' GLU . . . . . 0.441 ' OE2' ' N ' ' A' ' 89' ' ' LEU . 4.9 tt0 -65.81 -35.08 79.69 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.459 1.1 . . . . 0.0 110.3 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.413 ' O ' ' HG2' ' A' ' 51' ' ' GLN . 1.6 tttm -76.55 -56.61 4.46 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.444 1.09 . . . . 0.0 109.234 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 49' ' ' TRP . . . . . 0.453 ' HB3' ' CE2' ' A' ' 55' ' ' PHE . 46.9 m0 -54.97 -26.15 34.62 Favored 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.494 1.121 . . . . 0.0 108.04 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.526 ' HB2' ' O ' ' A' ' 46' ' ' THR . . . -68.96 -9.64 53.21 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.591 1.182 . . . . 0.0 109.294 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 51' ' ' GLN . . . . . 0.413 ' HG2' ' O ' ' A' ' 48' ' ' LYS . 3.5 pt20 -111.71 -9.84 14.1 Favored 'General case' 0 C--N 1.326 -0.414 0 O-C-N 124.509 1.13 . . . . 0.0 110.317 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 52' ' ' ASP . . . . . 0.431 ' OD1' ' N ' ' A' ' 55' ' ' PHE . 0.8 OUTLIER -58.68 123.66 17.11 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.535 1.147 . . . . 0.0 109.359 179.969 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 53' ' ' ALA . . . . . 0.443 ' O ' ' N ' ' A' ' 56' ' ' SER . . . -55.3 -50.9 68.36 Favored 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.499 1.124 . . . . 0.0 109.23 -179.939 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 1.2 mmtm -48.65 -33.9 10.79 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.464 1.103 . . . . 0.0 109.35 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 55' ' ' PHE . . . . . 0.777 ' CZ ' HD12 ' A' ' 60' ' ' LEU . 0.1 OUTLIER -76.84 -28.04 55.33 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.526 1.141 . . . . 0.0 111.035 179.918 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 56' ' ' SER . . . . . 0.443 ' N ' ' O ' ' A' ' 53' ' ' ALA . 50.0 m -46.99 -40.84 15.25 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.509 1.13 . . . . 0.0 110.029 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 57' ' ' SER . . . . . 0.403 ' C ' ' O ' ' A' ' 56' ' ' SER . 0.3 OUTLIER -39.26 -33.29 0.14 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.482 1.114 . . . . 0.0 109.981 179.997 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 58' ' ' ALA . . . . . 0.4 ' O ' ' O ' ' A' ' 55' ' ' PHE . . . -132.35 164.63 26.04 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.534 1.146 . . . . 0.0 109.273 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 59' ' ' ASN . . . . . 0.549 ' HB2' HG23 ' A' ' 27' ' ' THR . 2.1 m120 -89.6 122.37 32.68 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.536 1.147 . . . . 0.0 109.337 179.93 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.787 ' C ' HD23 ' A' ' 60' ' ' LEU . 1.8 tt -105.87 125.42 50.97 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.496 1.123 . . . . 0.0 109.326 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.497 ' N ' HD23 ' A' ' 60' ' ' LEU . 0.9 OUTLIER -153.84 163.15 1.88 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.564 1.165 . . . . 0.0 109.305 179.977 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 62' ' ' THR . . . . . 0.467 ' HB ' ' CD1' ' A' ' 32' ' ' TRP . 30.4 p -115.57 154.7 28.93 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.525 1.141 . . . . 0.0 110.447 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 63' ' ' VAL . . . . . 0.562 HG22 ' HB ' ' A' ' 92' ' ' VAL . 3.0 t -126.55 145.11 34.63 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 O-C-N 124.557 1.161 . . . . 0.0 109.411 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 64' ' ' ALA . . . . . 0.565 ' CB ' ' CZ ' ' A' ' 77' ' ' PHE . . . -133.94 149.77 51.28 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.418 1.074 . . . . 0.0 109.228 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 65' ' ' SER . . . . . 0.401 ' CB ' ' HB3' ' A' ' 68' ' ' PHE . 3.3 t -123.15 108.52 32.11 Favored Pre-proline 0 C--N 1.326 -0.435 0 O-C-N 124.397 1.06 . . . . 0.0 109.958 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 66' ' ' PRO . . . . . 0.436 ' HA ' ' O ' ' A' ' 72' ' ' LYS . 18.5 Cg_endo -75.03 135.6 19.23 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.585 1.834 . . . . 0.0 111.032 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 69.78 6.97 57.8 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.54 1.15 . . . . 0.0 110.945 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 68' ' ' PHE . . . . . 0.476 ' CE1' HD13 ' A' ' 69' ' ' LEU . 39.8 t80 -125.09 128.81 49.05 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.483 0.755 . . . . 0.0 110.992 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 1.074 HD23 ' CE2' ' A' ' 108' ' ' TYR . 0.8 OUTLIER 77.08 21.44 1.11 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.511 1.132 . . . . 0.0 109.331 -179.955 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER 70.93 22.6 4.58 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.518 1.136 . . . . 0.0 109.549 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 71' ' ' GLU . . . . . 0.403 ' O ' ' C ' ' A' ' 72' ' ' LYS . 0.1 OUTLIER -85.9 145.02 27.35 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.432 1.083 . . . . 0.0 110.308 179.997 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 72' ' ' LYS . . . . . 0.436 ' O ' ' HA ' ' A' ' 66' ' ' PRO . 1.0 OUTLIER -39.65 142.44 0.31 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.497 1.123 . . . . 0.0 109.212 -179.969 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 4.5 tttp -70.45 159.22 34.63 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.571 1.169 . . . . 0.0 109.292 179.939 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 10.3 t0 -50.51 142.13 11.19 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.472 1.108 . . . . 0.0 109.318 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 89.35 -40.14 3.08 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.481 1.113 . . . . 0.0 111.066 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -78.09 -33.36 50.72 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.48 0.753 . . . . 0.0 109.354 179.936 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 77' ' ' PHE . . . . . 0.565 ' CZ ' ' CB ' ' A' ' 64' ' ' ALA . 32.6 t80 -69.09 -58.05 4.6 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.543 1.152 . . . . 0.0 111.007 179.91 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -54.19 -34.44 60.53 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.498 1.124 . . . . 0.0 110.264 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 11.5 mttt -62.24 -43.13 99.52 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.552 1.157 . . . . 0.0 109.281 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 80' ' ' TRP . . . . . . . . . . . . . 1.3 t90 -56.15 -50.51 70.96 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.521 1.138 . . . . 0.0 108.013 -179.935 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 58.9 t80 -57.71 -36.81 72.49 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.505 1.128 . . . . 0.0 110.999 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -74.9 -2.69 28.06 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.406 1.067 . . . . 0.0 109.258 -179.942 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -90.31 -22.2 35.65 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.445 1.091 . . . . 0.0 111.002 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -109.1 142.04 40.4 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.492 0.76 . . . . 0.0 109.336 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -67.07 -161.98 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.46 1.1 . . . . 0.0 109.283 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 86' ' ' TYR . . . . . 0.415 ' N ' ' HD3' ' A' ' 87' ' ' PRO . 58.7 m-85 57.18 63.37 5.12 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.54 1.15 . . . . 0.0 111.027 -179.899 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 87' ' ' PRO . . . . . 0.415 ' HD3' ' N ' ' A' ' 86' ' ' TYR . 18.2 Cg_endo -75.02 43.98 1.08 Allowed 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.53 1.805 . . . . 0.0 110.988 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 88' ' ' LYS . . . . . 0.408 ' H ' ' C ' ' A' ' 86' ' ' TYR . 22.8 tttp -118.75 -12.8 9.62 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.521 1.138 . . . . 0.0 109.259 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 0.963 HD23 ' HD2' ' A' ' 90' ' ' PRO . 0.7 OUTLIER -71.29 122.41 87.0 Favored Pre-proline 0 C--N 1.324 -0.518 0 O-C-N 124.543 1.152 . . . . 0.0 109.263 -179.936 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 90' ' ' PRO . . . . . 0.963 ' HD2' HD23 ' A' ' 89' ' ' LEU . 17.9 Cg_endo -74.96 128.41 11.49 Favored 'Trans proline' 0 C--N 1.361 1.209 0 O-C-N 124.525 1.803 . . . . 0.0 110.938 -179.949 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 91' ' ' VAL . . . . . 0.438 HG22 ' OG1' ' A' ' 62' ' ' THR . 55.2 t -147.41 125.23 3.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.48 1.113 . . . . 0.0 109.308 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 92' ' ' VAL . . . . . 0.571 HG22 HG22 ' A' ' 11' ' ' THR . 39.7 t -108.7 145.56 15.47 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.546 1.154 . . . . 0.0 109.32 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 93' ' ' THR . . . . . 0.498 ' CG2' ' CE1' ' A' ' 77' ' ' PHE . 2.2 p -123.19 114.27 20.05 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.428 1.08 . . . . 0.0 110.417 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 94' ' ' ASP . . . . . 0.589 ' CB ' HD11 ' A' ' 9' ' ' LEU . 67.7 t0 -114.93 110.34 19.49 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.563 1.164 . . . . 0.0 109.304 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 17.7 t-20 -60.55 110.38 1.26 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.467 1.104 . . . . 0.0 109.288 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 90.07 -26.69 9.41 Favored Glycine 0 CA--C 1.529 0.933 0 O-C-N 124.569 1.168 . . . . 0.0 111.024 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 72.33 74.11 0.79 Allowed Glycine 0 CA--C 1.528 0.901 0 N-CA-C 110.988 -0.845 . . . . 0.0 110.988 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 98' ' ' THR . . . . . 0.492 ' O ' ' CB ' ' A' ' 102' ' ' SER . 1.4 m -62.2 -37.45 85.36 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.466 0.745 . . . . 0.0 110.315 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 3.7 mt -81.59 -39.01 16.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.524 1.14 . . . . 0.0 109.311 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -63.81 -47.68 79.87 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.47 1.107 . . . . 0.0 109.261 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 8.3 pt20 -72.94 -32.35 65.21 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.505 1.128 . . . . 0.0 110.28 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 102' ' ' SER . . . . . 0.492 ' CB ' ' O ' ' A' ' 98' ' ' THR . 10.7 t -68.37 -21.57 64.71 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.549 1.156 . . . . 0.0 109.997 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 17.1 mt -106.08 -8.29 17.56 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.448 1.093 . . . . 0.0 109.261 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 7.0 t-20 70.96 47.02 0.44 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.451 1.094 . . . . 0.0 109.31 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 105' ' ' ILE . . . . . 0.699 ' CD1' ' CE1' ' A' ' 31' ' ' PHE . 14.6 mt -85.61 116.79 29.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.409 1.068 . . . . 0.0 109.28 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 6.3 p -145.42 26.6 1.29 Allowed 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.553 1.158 . . . . 0.0 109.954 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 1.5 p -146.66 132.85 13.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.572 1.17 . . . . 0.0 109.229 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 108' ' ' TYR . . . . . 1.074 ' CE2' HD23 ' A' ' 69' ' ' LEU . 20.7 m-30 -130.57 153.37 81.44 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.515 1.135 . . . . 0.0 111.055 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 109' ' ' PRO . . . . . 0.523 ' C ' ' HA ' ' A' ' 108' ' ' TYR . 18.5 Cg_endo -74.89 162.71 92.25 Favored 'Cis proline' 0 C--N 1.359 1.096 0 C-N-CA 121.083 -2.465 . . . . 0.0 111.021 -0.039 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -136.03 163.22 30.81 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.52 1.138 . . . . 0.0 110.009 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 111' ' ' TRP . . . . . 0.558 ' CE3' ' HB2' ' A' ' 30' ' ' LYS . 85.7 m95 -139.86 141.89 36.6 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.505 1.128 . . . . 0.0 108.043 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -135.47 131.7 36.46 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.493 1.12 . . . . 0.0 109.258 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 26.4 tp -108.61 123.7 49.35 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.548 1.155 . . . . 0.0 109.248 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 30.1 mm -112.38 120.45 62.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.527 1.142 . . . . 0.0 109.358 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 115' ' ' GLY . . . . . 0.42 ' N ' ' O ' ' A' ' 119' ' ' ASP . . . -45.87 171.53 0.02 OUTLIER Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.514 1.134 . . . . 0.0 111.0 -179.945 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -79.3 0.84 27.18 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.515 0.773 . . . . 0.0 109.271 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -103.02 -1.2 29.66 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.453 1.095 . . . . 0.0 109.324 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . 81.69 34.43 25.02 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.425 1.078 . . . . 0.0 110.982 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 119' ' ' ASP . . . . . 0.42 ' O ' ' N ' ' A' ' 115' ' ' GLY . 3.5 p-10 -124.65 159.78 30.01 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.572 0.807 . . . . 0.0 109.258 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 42.6 t -65.94 117.5 6.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.491 1.119 . . . . 0.0 109.27 -179.943 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 13.9 tt0 -92.4 -62.29 1.43 Allowed 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.544 1.153 . . . . 0.0 110.259 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 7.6 ttp85 -150.0 158.41 44.14 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.455 1.097 . . . . 0.0 110.244 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 123' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -123.27 141.57 43.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.539 1.149 . . . . 0.0 109.317 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 96.4 t -134.75 120.03 30.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.556 1.16 . . . . 0.0 109.304 179.892 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 54.4 mttt -104.31 110.66 22.97 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.543 1.152 . . . . 0.0 109.301 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . 136.32 -164.1 25.1 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.54 1.15 . . . . 0.0 111.073 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -112.34 139.09 48.19 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.553 0.796 . . . . 0.0 109.959 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 128' ' ' ILE . . . . . 0.47 HG22 ' NE2' ' A' ' 132' ' ' GLN . 7.7 pt -116.86 162.77 14.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.535 1.147 . . . . 0.0 109.276 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 129' ' ' ASN . . . . . . . . . . . . . 1.3 p30 -108.63 166.66 10.63 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.485 1.116 . . . . 0.0 109.318 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 130' ' ' GLU . . . . . 0.411 ' HB2' ' CZ2' ' A' ' 49' ' ' TRP . 1.6 tt0 -46.89 -46.04 20.87 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.482 1.114 . . . . 0.0 110.254 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -52.25 -52.57 51.8 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.489 1.118 . . . . 0.0 109.29 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 132' ' ' GLN . . . . . 0.47 ' NE2' HG22 ' A' ' 128' ' ' ILE . 1.3 mt-30 -51.07 -45.78 61.52 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.369 1.043 . . . . 0.0 110.308 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 133' ' ' ALA . . . . . 0.42 ' O ' HD12 ' A' ' 137' ' ' ILE . . . -54.08 -50.54 66.55 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.474 1.109 . . . . 0.0 109.284 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 10.9 mt -60.34 -53.24 59.96 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.45 1.094 . . . . 0.0 109.388 179.927 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -56.94 -30.83 64.37 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.441 1.088 . . . . 0.0 109.272 179.939 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 2.5 tp -68.85 -42.35 77.22 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.503 1.127 . . . . 0.0 109.368 179.943 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 137' ' ' ILE . . . . . 0.42 HD12 ' O ' ' A' ' 133' ' ' ALA . 5.3 mt -77.89 -26.45 14.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.426 1.079 . . . . 0.0 109.301 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 2.0 ttp180 -75.02 -47.74 27.5 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.532 1.145 . . . . 0.0 110.262 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 3.4 t0 -169.85 130.4 0.95 Allowed Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.568 1.167 . . . . 0.0 109.266 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.9 -10.79 21.55 Favored 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.449 1.763 . . . . 0.0 111.048 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 141' ' ' ASN . . . . . . . . . . . . . 75.9 m-20 -74.99 -27.36 60.12 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.467 1.104 . . . . 0.0 109.272 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -41.27 108.19 0.09 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.585 1.178 . . . . 0.0 109.369 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 143' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -110.6 153.69 24.82 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.126 . . . . 0.0 109.301 -179.911 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 144' ' ' LEU . . . . . 0.639 HD13 ' H ' ' A' ' 144' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.514 1.134 . . . . 0.0 109.324 -179.95 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 55.8 mtt . . . . . 0 N--CA 1.453 -0.282 0 CA-C-O 120.483 0.182 . . . . 0.0 110.995 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' VAL . . . . . 0.7 HG22 ' HB ' ' A' ' 5' ' ' THR . 8.0 p -139.15 64.43 33.02 Favored Pre-proline 0 C--N 1.326 -0.443 0 O-C-N 124.493 1.121 . . . . 0.0 109.301 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 3' ' ' PRO . . . . . 0.42 ' HD3' ' N ' ' A' ' 2' ' ' VAL . 18.0 Cg_endo -75.0 -20.33 16.97 Favored 'Trans proline' 0 C--N 1.359 1.119 0 O-C-N 124.574 1.828 . . . . 0.0 110.988 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 78.4 t60 -70.88 -38.17 73.05 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.416 1.073 . . . . 0.0 109.656 179.916 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.7 ' HB ' HG22 ' A' ' 2' ' ' VAL . 36.4 m -71.27 -49.1 46.52 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.456 1.097 . . . . 0.0 110.389 -179.949 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 6.4 tp -58.79 -45.53 89.67 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.562 1.164 . . . . 0.0 109.342 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 96.7 p -69.71 -23.51 63.43 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.446 1.092 . . . . 0.0 109.997 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 1.2 m -80.79 -27.55 36.63 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.457 1.098 . . . . 0.0 110.41 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.51 HD11 ' HA ' ' A' ' 94' ' ' ASP . 0.5 OUTLIER -51.36 133.59 29.05 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.477 1.11 . . . . 0.0 109.275 179.964 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 14.4 mttt -106.21 154.48 20.66 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.483 1.115 . . . . 0.0 109.245 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' THR . . . . . 0.489 HG22 HG22 ' A' ' 92' ' ' VAL . 39.8 p -89.79 175.56 7.18 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.54 1.15 . . . . 0.0 110.451 179.916 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -61.16 -15.25 31.74 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.575 1.172 . . . . 0.0 109.318 179.928 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -95.6 22.9 6.58 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.423 1.077 . . . . 0.0 109.244 -179.929 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 48.68 30.09 2.43 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.505 1.128 . . . . 0.0 109.333 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 5.2 mtm180 -102.11 148.17 35.0 Favored Pre-proline 0 C--N 1.326 -0.44 0 O-C-N 124.34 1.025 . . . . 0.0 110.28 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' PRO . . . . . 0.43 ' HG2' HG23 ' A' ' 19' ' ' VAL . 18.4 Cg_endo -74.95 130.16 13.07 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.545 1.813 . . . . 0.0 111.005 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -57.27 -23.73 50.22 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.567 1.167 . . . . 0.0 109.265 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 30.2 t -56.13 -30.74 62.55 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.502 1.126 . . . . 0.0 110.011 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.43 HG23 ' HG2' ' A' ' 16' ' ' PRO . 97.6 t -57.03 -31.98 38.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.471 1.107 . . . . 0.0 109.302 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 15.5 m-85 -116.77 24.16 11.45 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.487 1.117 . . . . 0.0 111.052 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -125.21 116.36 21.87 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.542 1.151 . . . . 0.0 109.365 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -100.96 124.13 46.19 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.517 1.135 . . . . 0.0 109.295 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.408 ' O ' ' CB ' ' A' ' 24' ' ' ASP . 21.8 mmtm -72.89 54.3 0.37 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.49 1.119 . . . . 0.0 109.298 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 24' ' ' ASP . . . . . 0.408 ' CB ' ' O ' ' A' ' 23' ' ' LYS . 1.2 p-10 162.54 39.7 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.512 1.132 . . . . 0.0 109.354 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 12.5 mmtm -153.27 151.43 25.78 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.583 1.177 . . . . 0.0 109.34 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.09 126.31 9.83 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.523 1.801 . . . . 0.0 110.985 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 64.0 m -109.32 139.41 44.3 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.464 1.103 . . . . 0.0 110.381 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.412 HD12 ' O ' ' A' ' 112' ' ' ALA . 13.6 tp -123.65 127.79 48.73 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.445 1.091 . . . . 0.0 109.332 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.603 ' HB ' ' HB3' ' A' ' 112' ' ' ALA . 4.0 mt -108.33 149.97 11.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.548 1.155 . . . . 0.0 109.251 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.563 ' HB2' ' CE3' ' A' ' 111' ' ' TRP . 6.2 tptp -137.21 117.29 13.39 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.523 1.139 . . . . 0.0 109.297 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 31' ' ' PHE . . . . . 0.696 ' CZ ' ' CD1' ' A' ' 105' ' ' ILE . 65.8 m-85 -88.29 140.46 29.46 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.521 1.138 . . . . 0.0 110.966 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 32' ' ' TRP . . . . . 0.772 ' CZ3' HD11 ' A' ' 43' ' ' LEU . 28.3 p-90 -151.21 170.67 18.91 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.568 1.168 . . . . 0.0 108.013 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 33' ' ' ALA . . . . . 0.503 ' HB1' ' CE2' ' A' ' 35' ' ' TRP . . . -132.46 154.79 49.53 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.563 1.164 . . . . 0.0 109.308 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 34' ' ' SER . . . . . 0.445 ' HB3' ' CZ3' ' A' ' 80' ' ' TRP . 0.4 OUTLIER -78.57 -30.53 46.83 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.506 1.129 . . . . 0.0 109.989 -179.945 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 35' ' ' TRP . . . . . 0.503 ' CE2' ' HB1' ' A' ' 33' ' ' ALA . 10.4 p-90 -73.41 -6.77 48.4 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.496 1.123 . . . . 0.0 108.039 179.934 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 49.1 t -96.33 111.43 56.68 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.5 1.125 . . . . 0.0 108.289 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 -33.93 4.21 Favored 'Trans proline' 0 C--N 1.361 1.213 0 O-C-N 124.446 1.761 . . . . 0.0 111.0 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.45 ' O ' HD22 ' A' ' 38' ' ' LEU . 1.5 tm? -63.53 -31.95 73.27 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.579 1.175 . . . . 0.0 109.271 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -78.52 -43.28 27.26 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.487 1.117 . . . . 0.0 108.372 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.533 HD23 ' CD1' ' A' ' 43' ' ' LEU . 16.5 mt -51.36 -47.91 62.66 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.571 1.17 . . . . 0.0 109.304 179.912 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 6.4 p -68.24 -24.94 64.96 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.482 1.114 . . . . 0.0 109.939 -179.927 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 21.3 tt0 -82.2 -23.8 35.25 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.498 1.124 . . . . 0.0 110.285 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.772 HD11 ' CZ3' ' A' ' 32' ' ' TRP . 79.7 mt -46.73 -54.48 9.61 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.449 1.093 . . . . 0.0 109.23 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -57.59 -51.18 59.41 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.46 1.1 . . . . 0.0 111.036 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 45' ' ' GLN . . . . . 0.482 ' HG2' ' CZ2' ' A' ' 49' ' ' TRP . 1.3 tt0 -54.78 -34.0 62.09 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.473 0.749 . . . . 0.0 110.26 -179.891 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 86.0 m -65.69 -42.58 91.06 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.513 1.133 . . . . 0.0 110.41 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 21.7 tt0 -59.3 -47.82 83.95 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.496 1.123 . . . . 0.0 110.302 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 3.5 ttmt -61.76 -32.49 72.74 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.466 1.104 . . . . 0.0 109.33 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 49' ' ' TRP . . . . . 0.482 ' CZ2' ' HG2' ' A' ' 45' ' ' GLN . 46.3 m0 -78.15 -31.26 49.68 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 107.975 -1.12 . . . . 0.0 107.975 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -79.12 -11.47 59.98 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.594 1.184 . . . . 0.0 109.199 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 1.2 pp0? -109.15 1.62 20.47 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.641 1.213 . . . . 0.0 110.343 179.939 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 52' ' ' ASP . . . . . 0.454 ' OD1' ' N ' ' A' ' 55' ' ' PHE . 3.0 t70 -76.0 134.16 40.21 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.494 1.121 . . . . 0.0 109.309 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -57.75 -53.82 53.83 Favored 'General case' 0 C--N 1.323 -0.55 0 O-C-N 124.49 1.119 . . . . 0.0 109.344 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 54' ' ' LYS . . . . . 0.52 ' HB3' HD22 ' A' ' 134' ' ' LEU . 3.3 mmtm -46.77 -41.44 15.32 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.467 1.105 . . . . 0.0 109.321 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 55' ' ' PHE . . . . . 0.957 ' CZ ' HD12 ' A' ' 60' ' ' LEU . 0.1 OUTLIER -77.53 -27.36 51.62 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.34 1.025 . . . . 0.0 111.069 179.933 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 56' ' ' SER . . . . . 0.403 ' O ' ' C ' ' A' ' 57' ' ' SER . 12.0 t -45.8 -40.93 10.32 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.565 1.166 . . . . 0.0 109.941 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 57' ' ' SER . . . . . 0.403 ' C ' ' O ' ' A' ' 56' ' ' SER . 16.9 t -38.78 -61.85 0.68 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.486 1.116 . . . . 0.0 109.958 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -98.45 165.65 11.74 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.591 1.182 . . . . 0.0 109.35 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 11.8 m-20 -89.09 133.57 34.32 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.413 1.071 . . . . 0.0 109.24 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.957 HD12 ' CZ ' ' A' ' 55' ' ' PHE . 3.1 tt -125.79 126.39 44.46 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.491 1.119 . . . . 0.0 109.282 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.783 ' N ' HD23 ' A' ' 60' ' ' LEU . 9.4 pt -151.92 162.3 2.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.472 1.107 . . . . 0.0 109.266 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 18.5 p -112.22 157.24 21.14 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.597 1.186 . . . . 0.0 110.398 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 63' ' ' VAL . . . . . 0.558 HG22 ' HB ' ' A' ' 92' ' ' VAL . 2.4 t -129.82 144.82 36.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 O-C-N 124.552 1.158 . . . . 0.0 109.318 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 64' ' ' ALA . . . . . 0.668 ' CB ' ' CZ ' ' A' ' 77' ' ' PHE . . . -133.45 149.41 51.77 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.542 1.151 . . . . 0.0 109.261 -179.939 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 65' ' ' SER . . . . . 0.47 ' HB3' ' CB ' ' A' ' 68' ' ' PHE . 74.6 m -120.23 108.63 37.89 Favored Pre-proline 0 C--N 1.324 -0.518 0 O-C-N 124.593 1.183 . . . . 0.0 109.96 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.01 131.25 14.07 Favored 'Trans proline' 0 C--N 1.359 1.108 0 O-C-N 124.504 1.792 . . . . 0.0 110.965 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 74.66 7.41 79.75 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.467 1.104 . . . . 0.0 110.979 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 68' ' ' PHE . . . . . 0.559 ' CD2' HD13 ' A' ' 69' ' ' LEU . 2.4 t80 -108.64 133.52 52.63 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.406 0.709 . . . . 0.0 110.994 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.559 HD13 ' CD2' ' A' ' 68' ' ' PHE . 9.9 mp 57.27 45.32 20.49 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.569 1.168 . . . . 0.0 109.36 -179.919 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER 57.49 41.25 26.29 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.586 1.179 . . . . 0.0 109.575 179.916 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 71' ' ' GLU . . . . . 0.418 ' HG3' ' N ' ' A' ' 72' ' ' LYS . 4.2 tp10 -100.32 148.92 24.15 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.461 1.101 . . . . 0.0 110.332 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 72' ' ' LYS . . . . . 0.418 ' N ' ' HG3' ' A' ' 71' ' ' GLU . 19.0 mttt -50.95 133.03 27.36 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.506 1.129 . . . . 0.0 109.324 -179.949 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 2.3 ttmt -65.46 163.2 16.32 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.439 1.087 . . . . 0.0 109.325 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -50.79 149.4 3.42 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.474 1.109 . . . . 0.0 109.359 179.946 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 82.53 -50.45 4.35 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.487 1.117 . . . . 0.0 111.013 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -71.8 -31.02 66.15 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.499 0.764 . . . . 0.0 109.269 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 77' ' ' PHE . . . . . 0.668 ' CZ ' ' CB ' ' A' ' 64' ' ' ALA . 21.1 t80 -77.52 -57.04 4.04 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.442 1.089 . . . . 0.0 111.035 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 17.9 pt20 -50.75 -27.56 7.4 Favored 'General case' 0 C--N 1.327 -0.397 0 O-C-N 124.502 1.126 . . . . 0.0 110.278 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 8.8 mtmt -67.24 -43.28 82.35 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.49 1.119 . . . . 0.0 109.31 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 80' ' ' TRP . . . . . 0.445 ' CZ3' ' HB3' ' A' ' 34' ' ' SER . 3.0 t90 -54.22 -53.97 46.32 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.542 1.151 . . . . 0.0 107.99 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 81' ' ' TYR . . . . . 0.762 ' HA ' HD12 ' A' ' 84' ' ' LEU . 13.7 t80 -56.0 -41.9 75.6 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.514 1.133 . . . . 0.0 110.964 -179.954 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -63.17 -17.85 62.83 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.383 1.052 . . . . 0.0 109.275 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -92.29 -15.23 54.24 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.472 1.108 . . . . 0.0 111.042 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.762 HD12 ' HA ' ' A' ' 81' ' ' TYR . 17.9 mt -83.73 145.87 28.5 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.468 0.746 . . . . 0.0 109.315 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -74.38 173.87 9.67 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.444 1.09 . . . . 0.0 109.37 179.925 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 86' ' ' TYR . . . . . 0.417 ' C ' ' H ' ' A' ' 88' ' ' LYS . 66.1 m-85 56.2 66.29 3.59 Favored Pre-proline 0 C--N 1.323 -0.548 0 O-C-N 124.53 1.143 . . . . 0.0 111.012 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 44.31 1.14 Allowed 'Trans proline' 0 C--N 1.361 1.204 0 O-C-N 124.542 1.812 . . . . 0.0 111.032 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 88' ' ' LYS . . . . . 0.417 ' H ' ' C ' ' A' ' 86' ' ' TYR . 45.1 mttt -121.94 -6.45 9.0 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.473 1.108 . . . . 0.0 109.269 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 0.901 HD12 ' HD2' ' A' ' 90' ' ' PRO . 0.1 OUTLIER -76.81 136.87 66.57 Favored Pre-proline 0 C--N 1.324 -0.543 0 O-C-N 124.539 1.149 . . . . 0.0 109.232 179.99 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 90' ' ' PRO . . . . . 0.901 ' HD2' HD12 ' A' ' 89' ' ' LEU . 18.1 Cg_endo -74.99 127.55 10.78 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.426 1.75 . . . . 0.0 110.973 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 91' ' ' VAL . . . . . 0.406 ' O ' ' HB ' ' A' ' 11' ' ' THR . 17.2 t -143.38 119.78 5.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 O-C-N 124.514 1.134 . . . . 0.0 109.339 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 92' ' ' VAL . . . . . 0.686 HG21 HD12 ' A' ' 61' ' ' ILE . 61.6 t -109.23 138.15 37.93 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 O-C-N 124.577 1.173 . . . . 0.0 109.241 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 93' ' ' THR . . . . . 0.492 HG22 ' CE1' ' A' ' 77' ' ' PHE . 3.9 p -118.77 117.17 28.16 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.536 1.147 . . . . 0.0 110.396 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 94' ' ' ASP . . . . . 0.715 ' OD2' HD12 ' A' ' 99' ' ' ILE . 60.6 t0 -114.76 111.63 21.55 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.5 1.125 . . . . 0.0 109.372 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 2.7 m120 -60.45 115.92 3.92 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.422 1.076 . . . . 0.0 109.297 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 87.8 -19.77 31.72 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.408 1.068 . . . . 0.0 110.991 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 64.31 71.76 0.81 Allowed Glycine 0 CA--C 1.53 0.989 0 N-CA-C 110.977 -0.849 . . . . 0.0 110.977 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 1.8 m -67.27 -35.36 79.35 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.478 0.752 . . . . 0.0 110.379 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 99' ' ' ILE . . . . . 0.715 HD12 ' OD2' ' A' ' 94' ' ' ASP . 2.7 mp -74.21 -33.6 35.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.454 1.096 . . . . 0.0 109.292 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 100' ' ' ALA . . . . . 0.585 ' HA ' HD12 ' A' ' 105' ' ' ILE . . . -71.45 -38.85 71.27 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.598 1.187 . . . . 0.0 109.316 -179.947 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 1.9 mt-30 -80.46 -35.16 35.29 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.446 1.091 . . . . 0.0 110.256 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 3.5 m -64.98 -37.55 88.04 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.445 1.09 . . . . 0.0 109.957 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 103' ' ' LEU . . . . . 0.798 ' HB3' HD13 ' A' ' 123' ' ' ILE . 44.4 mt -91.45 -2.43 57.26 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 0.0 109.277 -179.909 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 15.9 t-20 57.31 57.66 4.33 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.494 1.121 . . . . 0.0 109.326 -179.894 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 105' ' ' ILE . . . . . 0.783 HG22 ' H ' ' A' ' 107' ' ' VAL . 88.3 mt -89.58 -82.43 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.528 1.142 . . . . 0.0 109.233 -179.945 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 106' ' ' SER . . . . . 0.411 ' OG ' ' O ' ' A' ' 105' ' ' ILE . 12.6 p 53.9 26.13 5.94 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.551 1.157 . . . . 0.0 110.0 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 107' ' ' VAL . . . . . 0.783 ' H ' HG22 ' A' ' 105' ' ' ILE . 7.4 p -148.7 132.22 7.97 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 O-C-N 124.408 1.067 . . . . 0.0 109.289 179.941 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 108' ' ' TYR . . . . . 0.588 ' CE1' ' HB3' ' A' ' 31' ' ' PHE . 14.5 m-85 -131.34 152.44 80.54 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.497 1.123 . . . . 0.0 110.969 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 109' ' ' PRO . . . . . 0.527 ' C ' ' HA ' ' A' ' 108' ' ' TYR . 18.3 Cg_endo -74.96 165.06 86.92 Favored 'Cis proline' 0 C--N 1.36 1.176 0 C-N-CA 120.99 -2.504 . . . . 0.0 111.023 -0.077 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -145.18 160.86 40.79 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.589 1.181 . . . . 0.0 110.026 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 111' ' ' TRP . . . . . 0.563 ' CE3' ' HB2' ' A' ' 30' ' ' LYS . 91.2 m95 -134.82 139.88 45.42 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.497 1.123 . . . . 0.0 107.97 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 112' ' ' ALA . . . . . 0.603 ' HB3' ' HB ' ' A' ' 29' ' ' ILE . . . -129.15 134.09 47.89 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.481 1.113 . . . . 0.0 109.313 179.881 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 113' ' ' LEU . . . . . 0.638 ' HG ' HE21 ' A' ' 121' ' ' GLN . 28.0 tp -108.89 123.95 49.89 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.567 1.167 . . . . 0.0 109.27 179.919 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 45.4 mm -112.19 125.39 69.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.428 1.08 . . . . 0.0 109.271 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -49.72 166.8 0.35 Allowed Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.525 1.141 . . . . 0.0 110.996 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -68.98 -11.68 60.96 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.43 0.724 . . . . 0.0 109.278 -179.95 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -86.56 -21.03 27.11 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.506 1.129 . . . . 0.0 109.333 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . 99.78 29.02 7.12 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.487 1.117 . . . . 0.0 110.971 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 1.6 p-10 -119.52 159.0 25.15 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.427 0.722 . . . . 0.0 109.236 -179.939 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 55.6 t -58.49 116.02 1.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.533 1.146 . . . . 0.0 109.305 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 121' ' ' GLN . . . . . 0.638 HE21 ' HG ' ' A' ' 113' ' ' LEU . 6.8 tt0 -92.89 -61.77 1.52 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.588 1.18 . . . . 0.0 110.294 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -156.33 153.16 28.57 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.532 1.145 . . . . 0.0 110.299 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 123' ' ' ILE . . . . . 0.798 HD13 ' HB3' ' A' ' 103' ' ' LEU . 1.8 tp -106.75 137.35 37.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.479 1.112 . . . . 0.0 109.264 -179.949 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 80.2 t -127.84 111.28 24.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.502 1.126 . . . . 0.0 109.329 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -98.77 127.0 44.56 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.521 1.138 . . . . 0.0 109.314 179.922 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . 129.01 -156.75 21.34 Favored Glycine 0 CA--C 1.529 0.913 0 O-C-N 124.487 1.117 . . . . 0.0 111.008 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -128.46 147.13 50.65 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.455 0.738 . . . . 0.0 110.014 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 128' ' ' ILE . . . . . 0.408 ' HA ' ' OE1' ' A' ' 132' ' ' GLN . 5.2 pt -127.47 162.38 33.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.482 1.114 . . . . 0.0 109.332 -179.922 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 129' ' ' ASN . . . . . . . . . . . . . 2.8 p30 -110.36 167.54 10.12 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.5 1.125 . . . . 0.0 109.32 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 130' ' ' GLU . . . . . 0.406 ' OE2' ' HB3' ' A' ' 133' ' ' ALA . 7.0 tp10 -48.76 -43.48 37.85 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.513 1.133 . . . . 0.0 110.326 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -51.23 -55.59 17.33 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.509 1.131 . . . . 0.0 109.257 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 132' ' ' GLN . . . . . 0.408 ' OE1' ' HA ' ' A' ' 128' ' ' ILE . 4.2 mt-30 -50.91 -47.34 60.86 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.455 1.097 . . . . 0.0 110.3 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 133' ' ' ALA . . . . . 0.507 ' O ' HD12 ' A' ' 137' ' ' ILE . . . -51.84 -46.83 64.53 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.418 1.074 . . . . 0.0 109.341 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 134' ' ' LEU . . . . . 0.52 HD22 ' HB3' ' A' ' 54' ' ' LYS . 16.1 mt -65.98 -49.79 66.6 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.59 1.181 . . . . 0.0 109.3 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -55.03 -23.06 17.92 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.121 . . . . 0.0 109.268 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -78.66 -37.21 42.46 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.551 1.157 . . . . 0.0 109.283 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 137' ' ' ILE . . . . . 0.507 HD12 ' O ' ' A' ' 133' ' ' ALA . 1.5 mt -82.61 -26.96 8.5 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 O-C-N 124.483 1.115 . . . . 0.0 109.292 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -81.3 -47.53 13.21 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.517 1.136 . . . . 0.0 110.263 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 18.0 t0 -103.25 121.11 49.9 Favored Pre-proline 0 C--N 1.326 -0.442 0 O-C-N 124.445 1.091 . . . . 0.0 109.276 -179.93 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.0 -21.83 15.44 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.549 1.816 . . . . 0.0 111.001 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 141' ' ' ASN . . . . . . . . . . . . . 44.3 m-80 -78.09 -15.26 59.04 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.455 1.097 . . . . 0.0 109.288 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -93.62 67.5 3.92 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.46 1.1 . . . . 0.0 109.353 179.944 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 143' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 55.25 98.33 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.416 1.073 . . . . 0.0 109.218 179.943 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 144' ' ' LEU . . . . . 0.542 ' C ' HD12 ' A' ' 144' ' ' LEU . 0.5 OUTLIER . . . . . 0 C--N 1.326 -0.455 0 O-C-N 124.583 1.177 . . . . 0.0 109.365 179.953 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.295 0 CA-C-O 120.554 0.216 . . . . 0.0 111.001 . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 2' ' ' VAL . . . . . 0.787 HG22 ' HB ' ' A' ' 5' ' ' THR . 6.0 p -132.91 76.28 70.83 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.488 1.117 . . . . 0.0 109.341 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 -40.22 0.98 Allowed 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.501 1.79 . . . . 0.0 111.042 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 20.2 m170 -51.3 -31.74 22.49 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.52 1.137 . . . . 0.0 109.589 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.787 ' HB ' HG22 ' A' ' 2' ' ' VAL . 59.7 m -77.87 -53.8 7.06 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.622 1.201 . . . . 0.0 110.418 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 8.4 mt -57.29 -37.08 71.86 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.483 1.115 . . . . 0.0 109.311 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -75.55 -22.47 57.02 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.467 1.104 . . . . 0.0 110.039 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 1.3 m -77.74 -20.32 53.67 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.501 1.126 . . . . 0.0 110.427 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.698 HD11 ' CB ' ' A' ' 94' ' ' ASP . 4.0 mm? -56.77 129.1 39.85 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.552 1.157 . . . . 0.0 109.317 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.417 ' HA ' ' O ' ' A' ' 15' ' ' ARG . 6.6 mttt -112.95 140.54 47.68 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.466 1.104 . . . . 0.0 109.29 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 11' ' ' THR . . . . . 0.533 HG22 HG22 ' A' ' 92' ' ' VAL . 20.9 p -78.37 178.13 7.93 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.578 1.173 . . . . 0.0 110.394 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -72.27 -5.86 39.01 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.545 1.153 . . . . 0.0 109.226 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' ASP . . . . . 0.407 ' OD2' ' N ' ' A' ' 13' ' ' ASP . 0.0 OUTLIER -102.66 23.72 11.6 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.522 1.139 . . . . 0.0 109.29 -179.997 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER 48.64 42.83 19.96 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.563 1.164 . . . . 0.0 109.322 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 15' ' ' ARG . . . . . 0.417 ' O ' ' HA ' ' A' ' 10' ' ' LYS . 5.6 mtt-85 -122.33 159.53 51.94 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.571 1.169 . . . . 0.0 110.273 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.84 132.26 15.44 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.484 1.781 . . . . 0.0 111.039 179.881 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.491 ' HB1' ' OH ' ' A' ' 20' ' ' TYR . . . -54.45 -27.43 37.3 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.498 1.124 . . . . 0.0 109.301 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 18' ' ' SER . . . . . 0.422 ' HA ' ' CB ' ' A' ' 21' ' ' LEU . 57.6 p -56.45 -26.59 54.28 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.454 1.096 . . . . 0.0 109.983 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 2.6 t -40.14 -47.8 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 O-C-N 124.557 1.16 . . . . 0.0 109.299 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' TYR . . . . . 0.621 ' OH ' HG21 ' A' ' 92' ' ' VAL . 17.6 p90 -104.16 -17.29 14.95 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.437 1.086 . . . . 0.0 110.978 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.478 HD12 ' CE1' ' A' ' 20' ' ' TYR . 0.1 OUTLIER -75.79 119.79 20.28 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.451 1.094 . . . . 0.0 109.331 179.963 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 22' ' ' LYS . . . . . 0.415 ' O ' ' N ' ' A' ' 24' ' ' ASP . 5.6 mttm -124.59 110.42 14.4 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.564 1.165 . . . . 0.0 109.361 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 1.2 tttt -70.55 54.97 0.16 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.563 1.164 . . . . 0.0 109.294 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 24' ' ' ASP . . . . . 0.415 ' N ' ' O ' ' A' ' 22' ' ' LYS . 34.6 t70 -175.55 31.28 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.46 1.1 . . . . 0.0 109.317 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.486 ' CE ' ' OD1' ' A' ' 59' ' ' ASN . 0.1 OUTLIER -171.8 162.07 4.74 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.509 1.131 . . . . 0.0 109.267 -179.974 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.06 149.15 36.03 Favored 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.402 1.738 . . . . 0.0 110.997 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 27' ' ' THR . . . . . 0.873 HG23 ' HB2' ' A' ' 59' ' ' ASN . 54.6 m -133.26 132.65 41.67 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.437 1.086 . . . . 0.0 110.409 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.662 HD21 ' CE3' ' A' ' 111' ' ' TRP . 7.5 tp -112.8 129.43 56.44 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.47 1.106 . . . . 0.0 109.255 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.527 HD11 HG13 ' A' ' 114' ' ' ILE . 1.5 mp -110.24 150.82 12.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.466 1.104 . . . . 0.0 109.348 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.94 ' HZ1' HD12 ' A' ' 60' ' ' LEU . 1.1 mppt? -139.05 117.0 11.63 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.594 1.184 . . . . 0.0 109.288 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 31' ' ' PHE . . . . . 0.58 ' HB3' ' CE1' ' A' ' 108' ' ' TYR . 71.1 m-85 -86.89 131.36 34.13 Favored 'General case' 0 C--N 1.323 -0.545 0 O-C-N 124.557 1.16 . . . . 0.0 111.075 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 32' ' ' TRP . . . . . 1.083 ' CZ3' HD11 ' A' ' 43' ' ' LEU . 10.6 p-90 -139.51 167.91 21.03 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.473 1.108 . . . . 0.0 108.01 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -132.45 156.42 46.75 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.522 1.139 . . . . 0.0 109.236 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 32.5 t -80.16 -25.03 39.98 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.506 1.129 . . . . 0.0 109.98 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 35' ' ' TRP . . . . . 0.454 ' CD1' ' HG2' ' A' ' 71' ' ' GLU . 14.0 p-90 -84.97 -2.25 57.71 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 108.006 -1.109 . . . . 0.0 108.006 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 36' ' ' CYS . . . . . 0.676 ' O ' HD12 ' A' ' 40' ' ' LEU . 48.8 t -99.21 115.33 65.8 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.521 1.138 . . . . 0.0 108.254 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.04 -54.39 0.09 OUTLIER 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.472 1.775 . . . . 0.0 110.991 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 3.0 tt -48.11 -27.27 2.25 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.546 1.154 . . . . 0.0 109.325 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 6.3 m -78.63 -54.45 6.11 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.483 1.114 . . . . 0.0 108.345 179.938 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.676 HD12 ' O ' ' A' ' 36' ' ' CYS . 0.3 OUTLIER -51.92 -37.39 52.43 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.435 1.084 . . . . 0.0 109.33 179.955 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 2.9 p -72.76 -25.46 61.19 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.487 1.117 . . . . 0.0 109.981 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 2.3 tp10 -84.38 -17.94 37.73 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.55 1.156 . . . . 0.0 110.321 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 1.083 HD11 ' CZ3' ' A' ' 32' ' ' TRP . 20.4 mt -55.3 -55.06 35.76 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.532 1.145 . . . . 0.0 109.311 -179.905 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -53.14 -52.56 39.37 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.464 1.103 . . . . 0.0 111.03 179.911 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 45' ' ' GLN . . . . . 0.563 ' HG2' ' CZ2' ' A' ' 49' ' ' TRP . 1.0 OUTLIER -61.74 -35.28 77.64 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.473 0.749 . . . . 0.0 110.232 179.999 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 91.0 m -70.73 -39.21 73.48 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.583 1.177 . . . . 0.0 110.336 -179.926 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 9.9 tt0 -58.64 -38.82 78.92 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.464 1.103 . . . . 0.0 110.287 -179.907 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 14.1 ttpt -78.48 -31.48 47.83 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.52 1.137 . . . . 0.0 109.324 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 49' ' ' TRP . . . . . 0.563 ' CZ2' ' HG2' ' A' ' 45' ' ' GLN . 40.7 m0 -63.17 -29.01 70.45 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.571 1.17 . . . . 0.0 108.042 179.943 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.493 ' HB2' HD22 ' A' ' 60' ' ' LEU . . . -75.23 -11.43 60.07 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.394 1.059 . . . . 0.0 109.278 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 1.8 mm-40 -95.42 -12.24 26.28 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.536 1.148 . . . . 0.0 110.243 -179.925 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 48.4 t0 -70.87 130.2 41.02 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.466 1.103 . . . . 0.0 109.285 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -60.27 -43.62 96.04 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.543 1.152 . . . . 0.0 109.31 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 54' ' ' LYS . . . . . 0.645 ' CD ' HD22 ' A' ' 134' ' ' LEU . 10.2 mttt -50.0 -38.55 37.87 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.539 1.149 . . . . 0.0 109.257 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 55' ' ' PHE . . . . . 0.48 ' CE2' ' HB3' ' A' ' 49' ' ' TRP . 0.2 OUTLIER -76.7 -27.89 55.67 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.567 1.167 . . . . 0.0 110.94 179.979 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 56' ' ' SER . . . . . 0.414 ' O ' ' C ' ' A' ' 57' ' ' SER . 13.6 p -47.39 -36.93 10.39 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.581 1.176 . . . . 0.0 109.923 -179.958 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 57' ' ' SER . . . . . 0.414 ' C ' ' O ' ' A' ' 56' ' ' SER . 0.5 OUTLIER -38.58 -57.1 1.21 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.503 1.127 . . . . 0.0 109.979 -179.971 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -110.11 165.94 11.35 Favored 'General case' 0 C--N 1.323 -0.554 0 O-C-N 124.604 1.19 . . . . 0.0 109.244 -179.945 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 59' ' ' ASN . . . . . 0.873 ' HB2' HG23 ' A' ' 27' ' ' THR . 2.3 m-20 -88.4 120.89 30.2 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.512 1.133 . . . . 0.0 109.33 179.926 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.94 HD12 ' HZ1' ' A' ' 30' ' ' LYS . 0.8 OUTLIER -104.25 127.22 51.85 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.49 1.119 . . . . 0.0 109.385 179.951 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.505 HD13 ' O ' ' A' ' 28' ' ' LEU . 0.2 OUTLIER -152.95 160.27 3.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.478 1.111 . . . . 0.0 109.248 -179.939 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 62' ' ' THR . . . . . 0.481 ' HB ' ' CD1' ' A' ' 32' ' ' TRP . 25.7 p -109.43 154.57 22.42 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.517 1.136 . . . . 0.0 110.288 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 2.6 t -126.52 139.06 52.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.548 1.155 . . . . 0.0 109.303 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -134.71 134.41 41.02 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.442 1.089 . . . . 0.0 109.389 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 65' ' ' SER . . . . . 0.442 ' CB ' ' HB3' ' A' ' 68' ' ' PHE . 5.8 m -108.06 107.46 60.26 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.493 1.121 . . . . 0.0 109.995 -179.874 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 66' ' ' PRO . . . . . 0.437 ' HA ' ' O ' ' A' ' 72' ' ' LYS . 18.3 Cg_endo -75.01 137.65 21.97 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.518 1.799 . . . . 0.0 110.958 -179.928 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 66.85 8.23 47.1 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.391 1.057 . . . . 0.0 110.996 179.945 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 68' ' ' PHE . . . . . 0.519 ' CE2' HD23 ' A' ' 69' ' ' LEU . 53.6 t80 -123.58 131.94 53.75 Favored 'General case' 0 C--N 1.327 -0.401 0 O-C-N 124.454 0.738 . . . . 0.0 110.965 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.519 HD23 ' CE2' ' A' ' 68' ' ' PHE . 0.3 OUTLIER 75.89 29.5 0.8 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.417 1.073 . . . . 0.0 109.255 179.923 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER 61.59 22.8 13.21 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.51 1.131 . . . . 0.0 109.62 -179.938 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 71' ' ' GLU . . . . . 0.454 ' HG2' ' CD1' ' A' ' 35' ' ' TRP . 0.0 OUTLIER -88.96 155.93 19.2 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.55 1.156 . . . . 0.0 110.309 179.95 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 72' ' ' LYS . . . . . 0.437 ' O ' ' HA ' ' A' ' 66' ' ' PRO . 48.9 mmtt -41.62 135.81 2.05 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.513 1.133 . . . . 0.0 109.314 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 1.4 tttt -75.54 164.57 26.21 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.481 1.113 . . . . 0.0 109.231 -179.929 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -51.49 146.2 7.68 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.549 1.156 . . . . 0.0 109.297 179.938 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 84.48 -44.91 3.41 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.543 1.152 . . . . 0.0 110.998 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -68.28 -55.7 11.22 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.469 0.746 . . . . 0.0 109.41 179.92 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 57.0 t80 -56.45 -26.98 55.48 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.509 1.131 . . . . 0.0 110.972 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 7.6 mt-30 -74.09 -29.73 62.0 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.529 1.143 . . . . 0.0 110.266 -179.942 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.97 -32.69 57.45 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.547 1.155 . . . . 0.0 109.363 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 80' ' ' TRP . . . . . 0.631 ' HD1' HD21 ' A' ' 84' ' ' LEU . 2.0 t90 -65.51 -46.5 79.42 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.502 1.126 . . . . 0.0 108.025 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 4.6 t80 -60.83 -33.24 72.72 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.45 1.094 . . . . 0.0 111.014 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -66.21 -14.72 62.36 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.508 1.13 . . . . 0.0 109.319 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -87.99 -3.4 79.75 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.429 1.081 . . . . 0.0 111.013 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.631 HD21 ' HD1' ' A' ' 80' ' ' TRP . 0.3 OUTLIER -141.4 97.24 3.12 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.551 0.795 . . . . 0.0 109.244 -179.966 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 85' ' ' ASN . . . . . 0.458 ' O ' ' CG ' ' A' ' 86' ' ' TYR . 37.5 m-20 -73.65 125.53 28.25 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.397 1.061 . . . . 0.0 109.244 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 86' ' ' TYR . . . . . 0.458 ' CG ' ' O ' ' A' ' 85' ' ' ASN . 8.0 m-85 -166.44 81.62 1.01 Allowed Pre-proline 0 C--N 1.324 -0.528 0 O-C-N 124.607 1.192 . . . . 0.0 111.006 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 0.72 8.57 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.527 1.804 . . . . 0.0 111.057 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 48.2 mmtt -105.22 15.34 27.59 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.503 1.127 . . . . 0.0 109.303 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 0.737 HD12 ' HD2' ' A' ' 90' ' ' PRO . 8.8 tp -127.4 120.57 22.17 Favored Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.388 1.055 . . . . 0.0 109.276 179.935 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 90' ' ' PRO . . . . . 0.737 ' HD2' HD12 ' A' ' 89' ' ' LEU . 18.2 Cg_endo -75.09 127.43 10.61 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.543 1.812 . . . . 0.0 111.035 179.918 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 91' ' ' VAL . . . . . 0.425 ' O ' ' HB ' ' A' ' 11' ' ' THR . 73.1 t -135.84 124.66 38.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.485 1.116 . . . . 0.0 109.296 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 92' ' ' VAL . . . . . 0.621 HG21 ' OH ' ' A' ' 20' ' ' TYR . 45.6 t -121.85 131.76 72.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.492 1.12 . . . . 0.0 109.248 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 2.9 p -117.17 117.88 30.8 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.531 1.145 . . . . 0.0 110.434 179.941 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 94' ' ' ASP . . . . . 0.698 ' CB ' HD11 ' A' ' 9' ' ' LEU . 60.0 t0 -114.86 111.23 20.89 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.56 1.162 . . . . 0.0 109.329 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 32.5 t-20 -60.68 120.89 10.93 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.586 1.178 . . . . 0.0 109.266 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 86.68 -16.65 44.69 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.536 1.147 . . . . 0.0 110.981 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 63.82 60.6 7.1 Favored Glycine 0 CA--C 1.53 1.002 0 N-CA-C 111.001 -0.84 . . . . 0.0 111.001 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 1.9 m -56.74 -42.42 79.24 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.512 0.772 . . . . 0.0 110.414 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 99' ' ' ILE . . . . . 0.543 HD12 ' OD2' ' A' ' 94' ' ' ASP . 3.1 mt -69.43 -37.07 74.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.46 1.1 . . . . 0.0 109.317 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -68.09 -38.29 82.18 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.525 1.141 . . . . 0.0 109.288 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 6.1 mt-30 -80.58 -36.44 32.89 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.514 1.134 . . . . 0.0 110.319 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -60.53 -41.53 94.61 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.538 1.149 . . . . 0.0 109.949 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 18.5 mt -85.11 -20.07 30.9 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.555 1.159 . . . . 0.0 109.281 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 104' ' ' ASN . . . . . 0.438 ' ND2' ' O ' ' A' ' 104' ' ' ASN . 8.2 t30 67.37 53.24 0.76 Allowed 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.562 1.164 . . . . 0.0 109.305 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 105' ' ' ILE . . . . . 0.556 ' CD1' ' CE1' ' A' ' 31' ' ' PHE . 3.7 mt -87.24 -75.91 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.462 1.101 . . . . 0.0 109.258 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 1.2 m 58.98 26.63 15.28 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.547 1.155 . . . . 0.0 110.029 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 107' ' ' VAL . . . . . 0.522 HG12 ' O ' ' A' ' 105' ' ' ILE . 2.4 p -147.65 131.74 9.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.507 1.129 . . . . 0.0 109.292 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 108' ' ' TYR . . . . . 0.58 ' CE1' ' HB3' ' A' ' 31' ' ' PHE . 14.6 m-85 -131.55 151.87 79.44 Favored Pre-proline 0 C--N 1.324 -0.528 0 O-C-N 124.521 1.138 . . . . 0.0 110.98 -179.923 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 109' ' ' PRO . . . . . 0.525 ' C ' ' HA ' ' A' ' 108' ' ' TYR . 18.2 Cg_endo -75.05 171.33 68.68 Favored 'Cis proline' 0 C--N 1.362 1.24 0 C-N-CA 120.954 -2.519 . . . . 0.0 111.013 0.077 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -153.18 160.34 42.82 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.49 1.119 . . . . 0.0 109.96 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 111' ' ' TRP . . . . . 0.824 ' CE3' HD11 ' A' ' 128' ' ' ILE . 17.8 m95 -131.35 139.42 49.51 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 108.018 -1.104 . . . . 0.0 108.018 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 112' ' ' ALA . . . . . 0.429 ' O ' HD12 ' A' ' 29' ' ' ILE . . . -136.26 129.65 31.84 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.441 1.088 . . . . 0.0 109.286 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 113' ' ' LEU . . . . . 0.505 HD23 ' HB3' ' A' ' 121' ' ' GLN . 12.0 tp -110.24 134.06 52.61 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.504 1.128 . . . . 0.0 109.334 179.942 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 114' ' ' ILE . . . . . 0.527 HG13 HD11 ' A' ' 29' ' ' ILE . 4.9 mm -118.29 121.81 68.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.552 1.157 . . . . 0.0 109.305 -179.939 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -47.51 167.77 0.1 OUTLIER Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.478 1.111 . . . . 0.0 110.961 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.17 -5.41 39.06 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.432 0.725 . . . . 0.0 109.324 179.953 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -93.98 -19.82 20.55 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.423 1.077 . . . . 0.0 109.254 -179.937 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . 99.27 27.68 8.04 Favored Glycine 0 CA--C 1.532 1.11 0 O-C-N 124.486 1.117 . . . . 0.0 110.995 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 3.8 p-10 -119.6 151.47 38.61 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.585 0.814 . . . . 0.0 109.301 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 42.6 t -52.79 116.4 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.535 1.147 . . . . 0.0 109.255 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 121' ' ' GLN . . . . . 0.505 ' HB3' HD23 ' A' ' 113' ' ' LEU . 3.1 mm-40 -89.83 -61.43 1.69 Allowed 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.496 1.122 . . . . 0.0 110.353 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -158.34 140.02 13.69 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.444 1.09 . . . . 0.0 110.372 179.906 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 123' ' ' ILE . . . . . . . . . . . . . 15.0 tt -106.55 140.65 23.97 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.471 1.107 . . . . 0.0 109.303 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 3.8 t -129.52 133.11 65.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.505 1.128 . . . . 0.0 109.255 -179.933 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -109.26 116.58 32.16 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.488 1.118 . . . . 0.0 109.255 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . 119.27 164.62 12.8 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.555 1.159 . . . . 0.0 111.005 179.938 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -82.11 162.54 22.47 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.56 0.8 . . . . 0.0 109.912 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 128' ' ' ILE . . . . . 0.824 HD11 ' CE3' ' A' ' 111' ' ' TRP . 28.7 pt -139.37 168.25 18.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.469 1.106 . . . . 0.0 109.266 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 129' ' ' ASN . . . . . . . . . . . . . 3.8 p30 -106.19 169.22 8.63 Favored 'General case' 0 C--N 1.327 -0.406 0 O-C-N 124.53 1.144 . . . . 0.0 109.293 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 32.0 tt0 -50.4 -40.72 50.74 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.494 1.121 . . . . 0.0 110.219 -179.919 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -57.13 -51.72 68.16 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.52 1.137 . . . . 0.0 109.244 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 132' ' ' GLN . . . . . 0.463 ' CB ' ' HB ' ' A' ' 128' ' ' ILE . 0.0 OUTLIER -50.93 -45.87 60.68 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.489 1.118 . . . . 0.0 110.314 179.958 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 133' ' ' ALA . . . . . 0.419 ' HB1' ' CZ ' ' A' ' 55' ' ' PHE . . . -55.37 -48.1 74.79 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.503 1.127 . . . . 0.0 109.231 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 134' ' ' LEU . . . . . 0.645 HD22 ' CD ' ' A' ' 54' ' ' LYS . 16.1 mt -58.82 -47.42 84.88 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.549 1.156 . . . . 0.0 109.267 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -56.24 -33.75 65.71 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.562 1.164 . . . . 0.0 109.282 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 136' ' ' LEU . . . . . 0.508 HD21 HD13 ' A' ' 28' ' ' LEU . 1.3 tp -67.65 -48.09 67.67 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.479 1.112 . . . . 0.0 109.368 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 137' ' ' ILE . . . . . . . . . . . . . 1.5 mp -70.67 -22.61 23.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.467 1.104 . . . . 0.0 109.287 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -80.18 -47.6 14.44 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.561 1.163 . . . . 0.0 110.327 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 33.3 t0 -150.2 125.82 4.95 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.62 1.2 . . . . 0.0 109.274 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.07 -14.45 20.98 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.55 1.816 . . . . 0.0 110.875 -179.914 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 141' ' ' ASN . . . . . . . . . . . . . 89.5 m-20 -77.01 -25.83 53.12 Favored 'General case' 0 C--N 1.323 -0.555 0 O-C-N 124.513 1.133 . . . . 0.0 109.284 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -76.7 92.58 3.55 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.527 1.142 . . . . 0.0 109.332 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 143' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 171.9 157.23 0.09 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.492 1.12 . . . . 0.0 109.322 179.94 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 7.7 mt . . . . . 0 C--N 1.325 -0.464 0 O-C-N 124.411 1.069 . . . . 0.0 109.321 179.972 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.753 ' O ' HG23 ' A' ' 2' ' ' VAL . 1.3 mpt? . . . . . 0 N--CA 1.453 -0.302 0 CA-C-O 120.514 0.197 . . . . 0.0 110.976 . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 2' ' ' VAL . . . . . 0.753 HG23 ' O ' ' A' ' 1' ' ' MET . 0.9 OUTLIER 162.13 -53.48 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.505 1.128 . . . . 0.0 109.305 -179.977 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 3' ' ' PRO . . . . . 0.488 ' CD ' ' N ' ' A' ' 2' ' ' VAL . 18.4 Cg_endo -75.07 -63.17 0.03 OUTLIER 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.398 1.736 . . . . 0.0 110.904 -179.954 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -61.16 -45.12 95.94 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.475 1.109 . . . . 0.0 109.626 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.598 ' O ' HD23 ' A' ' 9' ' ' LEU . 1.5 m -52.76 -54.6 31.7 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.549 1.156 . . . . 0.0 110.399 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.536 HD12 HD21 ' A' ' 21' ' ' LEU . 1.1 tm? -66.89 -52.3 44.98 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.422 1.076 . . . . 0.0 109.39 179.937 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 55.2 m -52.89 -22.76 5.9 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.451 1.095 . . . . 0.0 110.015 179.943 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 3.3 m -83.57 -20.9 32.95 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.563 1.164 . . . . 0.0 110.479 179.942 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.598 HD23 ' O ' ' A' ' 5' ' ' THR . 3.9 mm? -74.85 124.99 27.87 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.482 1.114 . . . . 0.0 109.342 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 24.1 mttt -110.93 156.83 20.63 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.471 1.107 . . . . 0.0 109.253 -179.917 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' THR . . . . . 0.411 ' HA ' ' O ' ' A' ' 91' ' ' VAL . 7.1 p -86.98 170.77 11.29 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.422 1.076 . . . . 0.0 110.41 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -60.04 -16.33 30.32 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.451 1.094 . . . . 0.0 109.257 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -93.22 21.03 6.31 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.499 1.124 . . . . 0.0 109.245 -179.932 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 51.71 31.71 8.38 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.529 1.143 . . . . 0.0 109.189 179.936 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -103.93 148.51 35.98 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.456 1.098 . . . . 0.0 110.236 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 16' ' ' PRO . . . . . 0.499 ' HG2' HG23 ' A' ' 19' ' ' VAL . 18.4 Cg_endo -75.02 133.7 16.88 Favored 'Trans proline' 0 C--N 1.361 1.205 0 O-C-N 124.39 1.732 . . . . 0.0 111.009 179.931 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -66.29 -13.81 61.04 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.477 1.111 . . . . 0.0 109.308 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' SER . . . . . 0.76 ' HA ' HD23 ' A' ' 21' ' ' LEU . 7.3 t -70.95 -18.72 62.62 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.507 1.129 . . . . 0.0 109.952 -179.904 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.499 HG23 ' HG2' ' A' ' 16' ' ' PRO . 42.7 t -56.5 -32.85 37.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.522 1.139 . . . . 0.0 109.274 179.922 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 20' ' ' TYR . . . . . 0.48 ' CD1' HG12 ' A' ' 19' ' ' VAL . 42.7 m-85 -120.85 25.78 9.48 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.429 1.08 . . . . 0.0 111.007 -179.953 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.76 HD23 ' HA ' ' A' ' 18' ' ' SER . 0.2 OUTLIER -58.6 109.67 0.84 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.415 1.072 . . . . 0.0 109.215 -179.9 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 22' ' ' LYS . . . . . 0.54 ' CG ' ' O ' ' A' ' 25' ' ' LYS . 0.0 OUTLIER -51.48 92.8 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.456 1.098 . . . . 0.0 109.355 179.951 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.504 ' O ' ' CB ' ' A' ' 24' ' ' ASP . 1.6 mttt -66.57 70.15 0.07 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.496 1.123 . . . . 0.0 109.289 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 24' ' ' ASP . . . . . 0.504 ' CB ' ' O ' ' A' ' 23' ' ' LYS . 1.5 t70 82.51 38.69 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.441 1.088 . . . . 0.0 109.197 179.894 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.54 ' O ' ' CG ' ' A' ' 22' ' ' LYS . 4.1 mtpt -131.55 162.47 55.96 Favored Pre-proline 0 C--N 1.324 -0.532 0 O-C-N 124.581 1.176 . . . . 0.0 109.269 179.954 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 129.7 12.57 Favored 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.462 1.77 . . . . 0.0 111.023 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 24.0 m -112.32 141.41 46.07 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.478 1.111 . . . . 0.0 110.405 -179.934 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.784 HD12 ' O ' ' A' ' 112' ' ' ALA . 33.1 tp -125.92 126.23 44.05 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.44 1.088 . . . . 0.0 109.326 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.731 ' HB ' ' HB3' ' A' ' 112' ' ' ALA . 9.2 mm -107.9 149.38 11.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.513 1.133 . . . . 0.0 109.34 179.943 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.565 ' HB2' ' CE3' ' A' ' 111' ' ' TRP . 0.4 OUTLIER -139.05 118.93 13.24 Favored 'General case' 0 C--N 1.326 -0.414 0 O-C-N 124.478 1.111 . . . . 0.0 109.274 -179.947 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 31' ' ' PHE . . . . . 0.561 ' HB3' ' CE1' ' A' ' 108' ' ' TYR . 45.4 m-85 -92.42 134.23 35.14 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.513 1.133 . . . . 0.0 111.102 179.885 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 32' ' ' TRP . . . . . 0.958 ' CH2' HD11 ' A' ' 43' ' ' LEU . 9.0 p-90 -143.49 166.62 24.28 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.529 1.143 . . . . 0.0 108.031 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -130.13 153.86 48.08 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.537 1.148 . . . . 0.0 109.26 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 34' ' ' SER . . . . . 0.689 ' O ' HD11 ' A' ' 40' ' ' LEU . 5.7 m -71.52 -33.4 69.15 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.423 1.077 . . . . 0.0 110.023 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 25.1 p-90 -71.87 -12.2 61.16 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 107.957 -1.127 . . . . 0.0 107.957 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 46.6 t -88.46 113.83 57.06 Favored Pre-proline 0 C--N 1.324 -0.514 0 O-C-N 124.511 1.132 . . . . 0.0 108.33 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.08 -51.76 0.11 Allowed 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.503 1.791 . . . . 0.0 111.028 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -49.68 -32.66 13.77 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.575 1.172 . . . . 0.0 109.305 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 1.8 m -74.97 -49.02 21.41 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.559 1.162 . . . . 0.0 108.343 179.946 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.689 HD11 ' O ' ' A' ' 34' ' ' SER . 6.1 mt -51.46 -42.89 61.92 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.634 1.209 . . . . 0.0 109.339 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.1 p -76.16 -25.46 55.28 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.538 1.149 . . . . 0.0 110.087 179.914 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 16.1 tt0 -81.27 -11.38 59.38 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.514 1.134 . . . . 0.0 110.316 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.958 HD11 ' CH2' ' A' ' 32' ' ' TRP . 15.6 mt -55.92 -53.35 57.84 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.514 1.134 . . . . 0.0 109.282 -179.924 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -55.07 -45.99 79.73 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.484 1.115 . . . . 0.0 110.983 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -61.64 -33.51 74.07 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.519 0.776 . . . . 0.0 110.367 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 50.2 m -69.1 -36.75 77.89 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.469 1.106 . . . . 0.0 110.407 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 21.4 tt0 -68.45 -42.3 79.01 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.503 1.127 . . . . 0.0 110.228 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 7.8 tttp -64.57 -33.37 75.77 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.461 1.101 . . . . 0.0 109.322 -179.915 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 49' ' ' TRP . . . . . 0.503 ' CE3' ' CZ ' ' A' ' 55' ' ' PHE . 28.3 m0 -70.86 -34.3 71.5 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 107.976 -1.12 . . . . 0.0 107.976 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -77.45 -11.74 59.88 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.539 1.149 . . . . 0.0 109.337 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 1.6 mt-30 -101.72 -12.54 18.29 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.574 1.171 . . . . 0.0 110.365 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 53.3 t0 -73.1 130.11 39.57 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.561 1.163 . . . . 0.0 109.308 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -62.1 -34.64 76.71 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.572 1.17 . . . . 0.0 109.272 -179.944 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 54' ' ' LYS . . . . . 0.426 ' HD2' HD13 ' A' ' 134' ' ' LEU . 0.0 OUTLIER -58.09 -39.91 79.77 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.458 1.099 . . . . 0.0 109.317 179.987 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 55' ' ' PHE . . . . . 0.508 ' CE1' HD12 ' A' ' 60' ' ' LEU . 1.6 m-85 -75.81 -27.37 57.91 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.535 1.147 . . . . 0.0 111.045 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 56' ' ' SER . . . . . 0.402 ' O ' ' C ' ' A' ' 57' ' ' SER . 0.2 OUTLIER -45.78 -43.03 12.78 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.541 1.151 . . . . 0.0 110.1 179.931 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 57' ' ' SER . . . . . 0.402 ' C ' ' O ' ' A' ' 56' ' ' SER . 2.7 m -38.9 -32.85 0.09 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.487 1.117 . . . . 0.0 109.92 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 58' ' ' ALA . . . . . 0.402 ' O ' ' O ' ' A' ' 55' ' ' PHE . . . -130.71 165.71 22.31 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.496 1.122 . . . . 0.0 109.347 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 59' ' ' ASN . . . . . 0.452 ' ND2' ' O ' ' A' ' 20' ' ' TYR . 3.1 m-20 -89.11 133.75 34.26 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.441 1.088 . . . . 0.0 109.33 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.772 HD23 ' N ' ' A' ' 61' ' ' ILE . 3.3 tt -124.87 125.76 44.47 Favored 'General case' 0 C--N 1.323 -0.568 0 O-C-N 124.584 1.178 . . . . 0.0 109.298 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.772 ' N ' HD23 ' A' ' 60' ' ' LEU . 26.2 pt -153.75 160.35 2.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.462 1.101 . . . . 0.0 109.318 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 17.8 p -109.93 157.15 19.55 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.519 1.137 . . . . 0.0 110.455 179.935 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 2.8 t -128.37 144.24 38.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.522 1.139 . . . . 0.0 109.338 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 64' ' ' ALA . . . . . 0.653 ' CB ' ' CZ ' ' A' ' 77' ' ' PHE . . . -134.07 141.45 47.18 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.526 1.141 . . . . 0.0 109.276 179.924 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 65' ' ' SER . . . . . 0.409 ' CB ' ' HB3' ' A' ' 68' ' ' PHE . 77.6 p -117.95 108.74 42.06 Favored Pre-proline 0 C--N 1.326 -0.443 0 O-C-N 124.534 1.146 . . . . 0.0 109.923 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 66' ' ' PRO . . . . . 0.467 ' HA ' ' O ' ' A' ' 72' ' ' LYS . 18.0 Cg_endo -75.0 137.84 22.25 Favored 'Trans proline' 0 C--N 1.361 1.209 0 O-C-N 124.448 1.762 . . . . 0.0 111.012 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 68.16 10.87 60.33 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.478 1.111 . . . . 0.0 111.077 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 68' ' ' PHE . . . . . 0.681 ' CE1' HD23 ' A' ' 69' ' ' LEU . 47.9 t80 -122.39 124.94 44.82 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.608 0.828 . . . . 0.0 111.052 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.681 HD23 ' CE1' ' A' ' 68' ' ' PHE . 0.4 OUTLIER 76.23 33.71 0.54 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.43 1.081 . . . . 0.0 109.292 -179.979 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 28.0 m170 65.73 12.75 8.52 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.418 1.074 . . . . 0.0 109.598 179.908 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 71' ' ' GLU . . . . . 0.411 ' HA ' ' OE1' ' A' ' 71' ' ' GLU . 14.9 tp10 -75.96 151.22 37.31 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.493 1.12 . . . . 0.0 110.29 -179.938 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 72' ' ' LYS . . . . . 0.467 ' O ' ' HA ' ' A' ' 66' ' ' PRO . 9.1 mmtm -43.52 165.25 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.493 1.12 . . . . 0.0 109.313 179.922 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -96.53 155.44 16.77 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.5 1.125 . . . . 0.0 109.275 179.941 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -46.9 144.73 2.31 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.468 1.105 . . . . 0.0 109.32 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 87.54 -50.11 3.98 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.456 1.097 . . . . 0.0 111.051 -179.942 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -72.27 -32.0 66.26 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.552 0.795 . . . . 0.0 109.324 179.946 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 77' ' ' PHE . . . . . 0.653 ' CZ ' ' CB ' ' A' ' 64' ' ' ALA . 42.3 t80 -76.26 -57.25 3.98 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.486 1.116 . . . . 0.0 110.975 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 17.8 pt20 -50.97 -28.8 10.65 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.528 1.142 . . . . 0.0 110.282 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 2.2 mttt -74.45 -39.7 62.38 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.51 1.131 . . . . 0.0 109.295 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 80' ' ' TRP . . . . . . . . . . . . . 2.4 t90 -53.35 -52.44 59.2 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.499 1.124 . . . . 0.0 107.97 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 81' ' ' TYR . . . . . 0.811 ' HA ' HD12 ' A' ' 84' ' ' LEU . 0.5 OUTLIER -62.92 -36.08 82.21 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.548 1.155 . . . . 0.0 111.031 179.996 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -63.46 -15.48 57.85 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.552 1.158 . . . . 0.0 109.3 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -102.98 -5.7 46.81 Favored Glycine 0 CA--C 1.531 1.063 0 O-C-N 124.549 1.156 . . . . 0.0 111.01 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.811 HD12 ' HA ' ' A' ' 81' ' ' TYR . 46.2 mt -87.91 165.72 15.05 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.551 0.795 . . . . 0.0 109.365 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -91.58 -166.53 1.58 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.515 1.135 . . . . 0.0 109.305 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 86' ' ' TYR . . . . . 0.401 ' N ' ' HD3' ' A' ' 87' ' ' PRO . 14.9 m-30 51.02 64.3 8.39 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.557 1.161 . . . . 0.0 110.918 179.939 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 87' ' ' PRO . . . . . 0.401 ' HD3' ' N ' ' A' ' 86' ' ' TYR . 18.4 Cg_endo -75.06 46.45 1.55 Allowed 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.534 1.808 . . . . 0.0 110.966 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -141.93 12.56 2.04 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.451 1.094 . . . . 0.0 109.334 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 0.937 HD12 ' HD2' ' A' ' 90' ' ' PRO . 0.1 OUTLIER -99.1 135.73 20.73 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.535 1.147 . . . . 0.0 109.288 -179.939 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 90' ' ' PRO . . . . . 0.937 ' HD2' HD12 ' A' ' 89' ' ' LEU . 18.1 Cg_endo -75.1 126.86 10.18 Favored 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.41 1.742 . . . . 0.0 110.929 -179.94 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 91' ' ' VAL . . . . . 0.411 ' O ' ' HA ' ' A' ' 11' ' ' THR . 13.9 t -141.69 118.39 7.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.52 1.138 . . . . 0.0 109.302 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 92' ' ' VAL . . . . . 0.494 HG21 HD12 ' A' ' 61' ' ' ILE . 44.8 t -111.58 137.82 42.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.557 1.16 . . . . 0.0 109.317 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 93' ' ' THR . . . . . 0.527 HG22 ' CE1' ' A' ' 77' ' ' PHE . 5.7 p -117.53 119.17 34.21 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.5 1.125 . . . . 0.0 110.406 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 94' ' ' ASP . . . . . 0.4 ' OD2' HD12 ' A' ' 99' ' ' ILE . 62.7 t0 -114.77 111.02 20.6 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.481 1.113 . . . . 0.0 109.286 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 5.6 m120 -60.94 115.94 4.09 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.602 1.189 . . . . 0.0 109.237 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 87.0 -18.44 35.78 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.423 1.077 . . . . 0.0 110.954 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 97' ' ' GLY . . . . . 0.415 ' O ' ' N ' ' A' ' 101' ' ' GLN . . . 64.44 71.61 0.83 Allowed Glycine 0 CA--C 1.53 1.004 0 N-CA-C 110.955 -0.858 . . . . 0.0 110.955 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 1.4 m -62.04 -51.87 66.26 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.49 0.759 . . . . 0.0 110.353 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 99' ' ' ILE . . . . . 0.4 HD12 ' OD2' ' A' ' 94' ' ' ASP . 2.7 mp -64.43 -33.39 62.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.463 1.102 . . . . 0.0 109.316 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -74.29 -34.11 63.43 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.424 1.077 . . . . 0.0 109.32 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 101' ' ' GLN . . . . . 0.415 ' N ' ' O ' ' A' ' 97' ' ' GLY . 0.0 OUTLIER -80.1 -40.19 28.03 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.5 1.125 . . . . 0.0 110.345 179.947 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -60.59 -31.3 70.46 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.511 1.132 . . . . 0.0 110.008 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 103' ' ' LEU . . . . . 0.618 HD13 HD12 ' A' ' 123' ' ' ILE . 20.3 mt -98.66 -11.42 22.05 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.552 1.158 . . . . 0.0 109.309 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 51.1 t30 62.93 58.02 1.57 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.51 1.131 . . . . 0.0 109.297 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 105' ' ' ILE . . . . . 0.552 HG12 HD11 ' A' ' 123' ' ' ILE . 4.5 mt -100.04 104.9 16.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.482 1.114 . . . . 0.0 109.37 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -121.6 24.2 9.91 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.483 1.115 . . . . 0.0 109.966 -179.881 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 2.0 p -135.4 132.61 52.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.422 1.076 . . . . 0.0 109.273 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 108' ' ' TYR . . . . . 0.561 ' CE1' ' HB3' ' A' ' 31' ' ' PHE . 20.7 m-85 -130.61 152.31 80.2 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.505 1.128 . . . . 0.0 111.052 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 109' ' ' PRO . . . . . 0.53 ' C ' ' HA ' ' A' ' 108' ' ' TYR . 18.4 Cg_endo -74.98 161.25 95.23 Favored 'Cis proline' 0 C--N 1.359 1.112 0 C-N-CA 120.978 -2.509 . . . . 0.0 110.957 0.002 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 110' ' ' SER . . . . . 0.402 ' O ' ' HA ' ' A' ' 30' ' ' LYS . 1.0 OUTLIER -133.88 158.05 44.4 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.459 1.099 . . . . 0.0 110.037 180.0 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 111' ' ' TRP . . . . . 0.565 ' CE3' ' HB2' ' A' ' 30' ' ' LYS . 94.5 m95 -132.43 140.6 48.5 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.572 1.17 . . . . 0.0 108.055 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 112' ' ' ALA . . . . . 0.784 ' O ' HD12 ' A' ' 28' ' ' LEU . . . -126.21 135.46 51.64 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.531 1.145 . . . . 0.0 109.251 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 113' ' ' LEU . . . . . 0.769 HD21 ' HB2' ' A' ' 143' ' ' ASP . 20.0 tp -109.18 130.45 55.49 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.545 1.153 . . . . 0.0 109.324 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 114' ' ' ILE . . . . . 0.66 HD13 ' HA ' ' A' ' 120' ' ' VAL . 7.4 mm -122.63 113.97 40.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.453 1.096 . . . . 0.0 109.309 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 115' ' ' GLY . . . . . 0.432 ' N ' ' O ' ' A' ' 119' ' ' ASP . . . -41.82 164.35 0.02 OUTLIER Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.518 1.136 . . . . 0.0 111.02 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -67.5 -26.59 66.42 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.526 0.78 . . . . 0.0 109.34 179.949 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -71.68 -9.63 58.56 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.467 1.104 . . . . 0.0 109.254 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . 86.52 35.83 10.14 Favored Glycine 0 CA--C 1.529 0.945 0 O-C-N 124.539 1.149 . . . . 0.0 110.994 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 119' ' ' ASP . . . . . 0.432 ' O ' ' N ' ' A' ' 115' ' ' GLY . 1.9 p30 -127.65 148.26 50.38 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.547 0.792 . . . . 0.0 109.385 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 120' ' ' VAL . . . . . 0.66 ' HA ' HD13 ' A' ' 114' ' ' ILE . 92.7 t -50.08 118.98 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 O-C-N 124.444 1.09 . . . . 0.0 109.239 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 121' ' ' GLN . . . . . 0.736 ' HG2' HD23 ' A' ' 113' ' ' LEU . 0.4 OUTLIER -93.14 -62.26 1.41 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.567 1.167 . . . . 0.0 110.372 179.866 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -158.33 158.27 34.02 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.457 1.098 . . . . 0.0 110.323 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 123' ' ' ILE . . . . . 0.618 HD12 HD13 ' A' ' 103' ' ' LEU . 5.3 tt -110.65 134.37 53.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.507 1.129 . . . . 0.0 109.262 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 79.6 t -123.91 115.93 46.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.484 1.115 . . . . 0.0 109.259 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 21.8 mtmt -107.05 114.73 28.98 Favored 'General case' 0 C--N 1.327 -0.412 0 O-C-N 124.541 1.151 . . . . 0.0 109.318 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . 141.56 -154.07 24.48 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.539 1.149 . . . . 0.0 110.939 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -123.39 144.36 49.53 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.527 0.78 . . . . 0.0 109.987 -179.945 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 128' ' ' ILE . . . . . . . . . . . . . 12.7 pt -129.18 162.2 37.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.463 1.102 . . . . 0.0 109.278 -179.933 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 129' ' ' ASN . . . . . 0.448 ' OD1' ' HB3' ' A' ' 131' ' ' ALA . 2.2 p30 -110.29 168.42 9.46 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.484 1.115 . . . . 0.0 109.358 179.887 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 130' ' ' GLU . . . . . 0.502 ' N ' ' CZ2' ' A' ' 49' ' ' TRP . 20.1 tt0 -57.59 -22.93 48.03 Favored 'General case' 0 C--N 1.327 -0.406 0 O-C-N 124.473 1.108 . . . . 0.0 110.353 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 131' ' ' ALA . . . . . 0.448 ' HB3' ' OD1' ' A' ' 129' ' ' ASN . . . -68.87 -54.16 17.22 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.545 1.153 . . . . 0.0 109.284 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 132' ' ' GLN . . . . . 0.502 ' O ' ' HB3' ' A' ' 135' ' ' ALA . 4.6 mt-30 -50.67 -48.62 58.36 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.485 1.115 . . . . 0.0 110.288 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -50.2 -52.66 33.87 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.476 1.11 . . . . 0.0 109.324 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 134' ' ' LEU . . . . . 0.426 HD13 ' HD2' ' A' ' 54' ' ' LYS . 3.6 mt -53.89 -41.03 67.14 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.471 1.107 . . . . 0.0 109.364 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 135' ' ' ALA . . . . . 0.502 ' HB3' ' O ' ' A' ' 132' ' ' GLN . . . -57.78 -23.44 52.31 Favored 'General case' 0 C--N 1.327 -0.398 0 O-C-N 124.52 1.137 . . . . 0.0 109.32 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 136' ' ' LEU . . . . . 0.458 ' HA ' ' HB1' ' A' ' 142' ' ' ALA . 22.1 mt -74.58 -42.58 58.47 Favored 'General case' 0 C--N 1.327 -0.397 0 O-C-N 124.44 1.087 . . . . 0.0 109.225 -179.926 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 137' ' ' ILE . . . . . . . . . . . . . 2.9 mt -82.92 -19.02 10.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.525 1.141 . . . . 0.0 109.291 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 138' ' ' ARG . . . . . 0.408 ' N ' ' O ' ' A' ' 134' ' ' LEU . 0.0 OUTLIER -79.74 -47.76 14.75 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.5 1.125 . . . . 0.0 110.321 179.99 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 139' ' ' ASP . . . . . 0.476 ' HB3' ' HB3' ' A' ' 142' ' ' ALA . 2.4 t70 -90.74 137.65 26.87 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.466 1.104 . . . . 0.0 109.29 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 -28.29 9.38 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.548 1.815 . . . . 0.0 111.067 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 141' ' ' ASN . . . . . . . . . . . . . 73.0 m-20 -81.53 -12.48 58.8 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.631 1.207 . . . . 0.0 109.223 -179.935 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 142' ' ' ALA . . . . . 0.476 ' HB3' ' HB3' ' A' ' 139' ' ' ASP . . . -96.6 65.25 2.22 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.5 1.125 . . . . 0.0 109.332 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 143' ' ' ASP . . . . . 0.769 ' HB2' HD21 ' A' ' 113' ' ' LEU . 30.5 t70 60.99 149.52 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.482 1.114 . . . . 0.0 109.322 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.325 -0.495 0 O-C-N 124.536 1.148 . . . . 0.0 109.291 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.329 0 CA-C-O 120.582 0.23 . . . . 0.0 110.997 . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 2' ' ' VAL . . . . . 0.568 ' O ' HG23 ' A' ' 2' ' ' VAL . 31.5 m -132.21 67.03 78.58 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.369 1.043 . . . . 0.0 109.294 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 -48.75 0.17 Allowed 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.399 1.736 . . . . 0.0 111.027 179.942 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' HIS . . . . . 0.485 ' O ' ' CB ' ' A' ' 8' ' ' THR . 5.4 p80 -51.28 -35.36 37.15 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.435 1.084 . . . . 0.0 109.576 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.621 ' O ' HD23 ' A' ' 9' ' ' LEU . 3.1 m -68.29 -49.04 63.22 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.525 1.141 . . . . 0.0 110.408 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 4.3 tp -63.81 -41.2 97.93 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.509 1.13 . . . . 0.0 109.228 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 5.5 m -75.38 -22.67 57.31 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.445 1.09 . . . . 0.0 109.977 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' THR . . . . . 0.485 ' CB ' ' O ' ' A' ' 4' ' ' HIS . 1.0 OUTLIER -70.93 -21.78 62.31 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.464 1.103 . . . . 0.0 110.398 -179.955 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.69 HD11 ' CB ' ' A' ' 94' ' ' ASP . 3.9 mm? -55.06 138.32 44.38 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.561 1.163 . . . . 0.0 109.22 -179.912 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.418 ' HA ' ' O ' ' A' ' 15' ' ' ARG . 0.1 OUTLIER -122.54 142.55 50.49 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.48 1.113 . . . . 0.0 109.249 179.975 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 11' ' ' THR . . . . . 0.779 HG22 HG22 ' A' ' 92' ' ' VAL . 76.6 p -84.57 168.26 15.54 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.406 1.066 . . . . 0.0 110.465 179.939 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -56.49 -18.76 12.53 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.521 1.138 . . . . 0.0 109.276 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -91.92 13.35 18.8 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.399 1.062 . . . . 0.0 109.314 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 58.83 27.87 16.68 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.533 1.146 . . . . 0.0 109.234 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 15' ' ' ARG . . . . . 0.418 ' O ' ' HA ' ' A' ' 10' ' ' LYS . 0.3 OUTLIER -98.25 155.85 36.47 Favored Pre-proline 0 C--N 1.326 -0.444 0 O-C-N 124.543 1.152 . . . . 0.0 110.304 179.92 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 16' ' ' PRO . . . . . 0.899 ' O ' HG22 ' A' ' 19' ' ' VAL . 18.1 Cg_endo -75.09 127.22 10.45 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.554 1.818 . . . . 0.0 111.005 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -47.55 -28.01 2.07 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 0.0 109.262 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -55.75 -18.95 9.47 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.554 1.159 . . . . 0.0 110.004 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.899 HG22 ' O ' ' A' ' 16' ' ' PRO . 3.6 m -48.33 -45.24 13.54 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.396 1.06 . . . . 0.0 109.269 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 11.8 m-85 -112.53 24.32 12.62 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.577 1.173 . . . . 0.0 110.958 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.521 ' HG ' HG21 ' A' ' 27' ' ' THR . 0.2 OUTLIER -134.64 102.66 5.36 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.434 1.084 . . . . 0.0 109.318 179.996 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 22' ' ' LYS . . . . . 0.511 ' CB ' ' O ' ' A' ' 21' ' ' LEU . 0.1 OUTLIER 163.39 -171.64 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.512 1.133 . . . . 0.0 109.309 179.946 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 66.88 25.73 9.44 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.437 1.086 . . . . 0.0 109.353 -179.936 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 43.16 36.54 1.01 Allowed 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.466 1.104 . . . . 0.0 109.302 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 1.9 mttt -105.96 162.19 20.47 Favored Pre-proline 0 C--N 1.324 -0.519 0 O-C-N 124.471 1.107 . . . . 0.0 109.244 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 145.49 31.43 Favored 'Trans proline' 0 C--N 1.361 1.205 0 O-C-N 124.378 1.725 . . . . 0.0 110.979 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 27' ' ' THR . . . . . 0.521 HG21 ' HG ' ' A' ' 21' ' ' LEU . 20.3 m -117.18 142.47 46.99 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.456 1.098 . . . . 0.0 110.364 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.497 HD12 ' HA ' ' A' ' 113' ' ' LEU . 10.9 tp -124.34 127.69 47.98 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.506 1.128 . . . . 0.0 109.366 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.622 HD12 HD13 ' A' ' 114' ' ' ILE . 2.0 mt -108.94 149.83 11.97 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.543 1.152 . . . . 0.0 109.304 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.448 ' HG3' ' CZ2' ' A' ' 111' ' ' TRP . 2.6 tmtt? -138.77 110.73 7.24 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.456 1.097 . . . . 0.0 109.265 -179.955 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 31' ' ' PHE . . . . . 0.572 ' HB3' ' CE1' ' A' ' 108' ' ' TYR . 55.3 m-85 -82.49 126.01 31.75 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.465 1.103 . . . . 0.0 110.982 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 32' ' ' TRP . . . . . 0.53 ' CE3' HD21 ' A' ' 43' ' ' LEU . 5.1 p-90 -130.21 167.48 18.35 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.564 1.165 . . . . 0.0 107.917 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 33' ' ' ALA . . . . . 0.634 ' HB1' ' NE1' ' A' ' 35' ' ' TRP . . . -136.49 126.77 26.47 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.467 1.104 . . . . 0.0 109.254 179.945 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -54.46 -27.39 37.14 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.464 1.102 . . . . 0.0 110.061 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 35' ' ' TRP . . . . . 0.634 ' NE1' ' HB1' ' A' ' 33' ' ' ALA . 21.9 p-90 -77.37 -23.8 50.73 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 107.979 -1.119 . . . . 0.0 107.979 179.943 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 36' ' ' CYS . . . . . 0.415 ' N ' ' O ' ' A' ' 33' ' ' ALA . 42.8 t -75.5 115.03 41.82 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.483 1.115 . . . . 0.0 108.336 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -33.62 4.45 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.519 1.799 . . . . 0.0 111.01 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -65.49 -35.08 79.84 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.511 1.132 . . . . 0.0 109.269 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 39' ' ' CYS . . . . . 0.444 ' O ' ' N ' ' A' ' 43' ' ' LEU . 47.2 m -69.11 -48.31 62.87 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.59 1.181 . . . . 0.0 108.269 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 73.8 mt -51.46 -47.88 62.98 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.533 1.146 . . . . 0.0 109.385 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.1 p -68.52 -25.23 64.84 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.536 1.148 . . . . 0.0 110.013 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -82.56 -26.5 32.35 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.493 1.121 . . . . 0.0 110.238 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.641 ' O ' HD11 ' A' ' 89' ' ' LEU . 48.9 mt -44.08 -52.89 6.83 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.454 1.096 . . . . 0.0 109.364 179.899 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -57.87 -48.63 80.97 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.425 1.078 . . . . 0.0 110.967 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 45' ' ' GLN . . . . . 0.424 ' CD ' ' CZ2' ' A' ' 49' ' ' TRP . 36.4 tt0 -61.75 -31.22 71.39 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.454 0.738 . . . . 0.0 110.28 -179.944 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 28.0 m -69.43 -34.6 74.68 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.469 1.106 . . . . 0.0 110.384 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -68.25 -41.84 80.56 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.122 . . . . 0.0 110.279 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 7.1 tttm -68.9 -35.37 76.77 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.464 1.103 . . . . 0.0 109.391 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 49' ' ' TRP . . . . . 0.424 ' CZ2' ' CD ' ' A' ' 45' ' ' GLN . 44.2 m0 -72.19 -31.98 66.39 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.464 1.102 . . . . 0.0 108.086 179.849 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -76.75 -9.4 58.65 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.485 1.115 . . . . 0.0 109.29 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 2.1 mm-40 -104.91 -14.59 15.42 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.48 1.112 . . . . 0.0 110.211 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 52' ' ' ASP . . . . . 0.426 ' OD1' ' N ' ' A' ' 54' ' ' LYS . 24.1 t0 -65.18 128.59 36.43 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.482 1.114 . . . . 0.0 109.383 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -54.4 -47.87 72.23 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.458 1.099 . . . . 0.0 109.346 -179.918 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 54' ' ' LYS . . . . . 0.426 ' N ' ' OD1' ' A' ' 52' ' ' ASP . 3.3 mmmt -48.94 -38.42 22.84 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.467 1.105 . . . . 0.0 109.341 179.947 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 55' ' ' PHE . . . . . 0.996 ' CE1' HD12 ' A' ' 60' ' ' LEU . 1.1 m-85 -76.53 -30.41 57.12 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.484 1.115 . . . . 0.0 111.061 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 1.4 t -46.53 -40.0 11.87 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.455 1.097 . . . . 0.0 109.983 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 70.0 m -39.43 -60.23 0.97 Allowed 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.427 1.079 . . . . 0.0 109.97 -179.95 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -102.87 165.6 10.95 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.535 1.147 . . . . 0.0 109.364 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 67.8 m-20 -89.13 130.85 35.5 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.452 1.095 . . . . 0.0 109.281 179.936 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.996 HD12 ' CE1' ' A' ' 55' ' ' PHE . 3.5 tt -119.69 126.04 50.14 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.461 1.101 . . . . 0.0 109.333 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.74 ' N ' HD23 ' A' ' 60' ' ' LEU . 9.4 pt -152.77 160.25 3.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.528 1.142 . . . . 0.0 109.404 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 62' ' ' THR . . . . . 0.507 ' HB ' ' CD1' ' A' ' 32' ' ' TRP . 30.4 p -109.61 153.55 24.03 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.493 1.121 . . . . 0.0 110.376 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 63' ' ' VAL . . . . . 0.45 ' HB ' ' CG2' ' A' ' 29' ' ' ILE . 1.2 t -125.13 144.73 34.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.554 1.159 . . . . 0.0 109.294 -179.953 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 64' ' ' ALA . . . . . 0.591 ' CB ' ' CZ ' ' A' ' 77' ' ' PHE . . . -134.53 138.22 44.48 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.562 1.164 . . . . 0.0 109.317 -179.933 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 65' ' ' SER . . . . . 0.405 ' CB ' ' HB3' ' A' ' 68' ' ' PHE . 1.8 m -110.89 107.83 57.8 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.478 1.111 . . . . 0.0 109.976 -179.909 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 66' ' ' PRO . . . . . 0.457 ' HA ' ' O ' ' A' ' 72' ' ' LYS . 18.1 Cg_endo -74.95 134.03 17.39 Favored 'Trans proline' 0 C--N 1.358 1.074 0 O-C-N 124.529 1.805 . . . . 0.0 111.014 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 69.31 5.84 50.99 Favored Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.509 1.131 . . . . 0.0 110.941 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 68' ' ' PHE . . . . . 0.711 ' CE2' HD23 ' A' ' 69' ' ' LEU . 73.1 t80 -127.94 135.01 49.36 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.55 0.794 . . . . 0.0 110.975 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.711 HD23 ' CE2' ' A' ' 68' ' ' PHE . 0.2 OUTLIER 74.79 25.76 1.44 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.374 1.046 . . . . 0.0 109.288 179.995 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 28.5 m170 63.26 22.41 13.32 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.438 1.086 . . . . 0.0 109.547 179.908 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 71' ' ' GLU . . . . . 0.411 ' OE2' ' CD1' ' A' ' 35' ' ' TRP . 0.2 OUTLIER -86.83 149.6 24.72 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.461 1.101 . . . . 0.0 110.303 -179.99 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 72' ' ' LYS . . . . . 0.457 ' O ' ' HA ' ' A' ' 66' ' ' PRO . 3.2 mmpt? -39.78 153.97 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.482 1.114 . . . . 0.0 109.314 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 5.1 tttt -83.04 152.79 25.23 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.46 1.1 . . . . 0.0 109.304 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -48.54 152.32 0.96 Allowed 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.531 1.145 . . . . 0.0 109.35 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 79.83 -51.8 4.1 Favored Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.543 1.152 . . . . 0.0 110.98 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -71.52 -29.19 64.5 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.483 0.755 . . . . 0.0 109.301 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 77' ' ' PHE . . . . . 0.596 ' CE1' ' CG2' ' A' ' 93' ' ' THR . 16.8 t80 -77.66 -57.05 4.02 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.525 1.141 . . . . 0.0 110.957 -179.948 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 16.2 pt20 -51.0 -27.99 8.96 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.485 1.116 . . . . 0.0 110.294 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 3.4 mtmt -74.89 -39.46 61.47 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.556 1.16 . . . . 0.0 109.294 -179.919 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 80' ' ' TRP . . . . . . . . . . . . . 2.5 t90 -53.71 -50.81 65.09 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.554 1.159 . . . . 0.0 107.947 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 81' ' ' TYR . . . . . 0.478 ' CD1' ' C ' ' A' ' 81' ' ' TYR . 0.6 OUTLIER -61.99 -33.15 73.8 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.504 1.127 . . . . 0.0 110.947 -179.878 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -67.11 -15.43 63.71 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.488 1.117 . . . . 0.0 109.245 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -107.79 15.9 37.18 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.497 1.123 . . . . 0.0 111.084 179.924 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 73.3 mt -114.68 165.07 13.19 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.476 0.75 . . . . 0.0 109.243 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 16.4 t30 -86.99 -164.18 1.03 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.443 1.089 . . . . 0.0 109.289 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 86' ' ' TYR . . . . . 0.575 ' CB ' HD12 ' A' ' 89' ' ' LEU . 1.6 m-85 56.86 79.93 0.31 Allowed Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.492 1.12 . . . . 0.0 111.023 -179.955 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -3.32 13.75 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.45 1.763 . . . . 0.0 110.946 -179.921 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -105.36 15.26 27.54 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.459 1.099 . . . . 0.0 109.273 -179.907 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 0.724 HD23 ' HD2' ' A' ' 90' ' ' PRO . 0.3 OUTLIER -91.21 120.57 68.45 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.562 1.164 . . . . 0.0 109.335 179.988 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 90' ' ' PRO . . . . . 0.724 ' HD2' HD23 ' A' ' 89' ' ' LEU . 18.4 Cg_endo -74.95 127.0 10.37 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.484 1.781 . . . . 0.0 111.007 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 91' ' ' VAL . . . . . 0.425 ' O ' ' HB ' ' A' ' 11' ' ' THR . 38.2 t -140.32 125.06 19.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.513 1.133 . . . . 0.0 109.297 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 92' ' ' VAL . . . . . 0.779 HG22 HG22 ' A' ' 11' ' ' THR . 30.4 t -123.16 134.98 64.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.467 1.105 . . . . 0.0 109.3 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 93' ' ' THR . . . . . 0.596 ' CG2' ' CE1' ' A' ' 77' ' ' PHE . 2.0 p -112.69 117.54 32.52 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.463 1.102 . . . . 0.0 110.468 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 94' ' ' ASP . . . . . 0.69 ' CB ' HD11 ' A' ' 9' ' ' LEU . 62.3 t0 -115.0 111.52 21.26 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.561 1.163 . . . . 0.0 109.312 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 11.8 t-20 -58.91 118.8 6.18 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.429 1.081 . . . . 0.0 109.331 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 86.7 -16.56 45.32 Favored Glycine 0 CA--C 1.529 0.93 0 O-C-N 124.484 1.115 . . . . 0.0 111.081 -179.947 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 67.12 58.96 7.37 Favored Glycine 0 CA--C 1.53 1.026 0 N-CA-C 110.991 -0.844 . . . . 0.0 110.991 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 98' ' ' THR . . . . . 0.432 ' O ' ' CB ' ' A' ' 102' ' ' SER . 15.6 m -53.05 -32.09 45.03 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.491 0.76 . . . . 0.0 110.351 -179.951 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 99' ' ' ILE . . . . . 0.753 ' N ' HD13 ' A' ' 99' ' ' ILE . 1.1 mm -73.55 -36.45 47.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.616 1.198 . . . . 0.0 109.258 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 100' ' ' ALA . . . . . 0.404 ' O ' ' N ' ' A' ' 105' ' ' ILE . . . -77.05 -40.21 47.15 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.571 1.169 . . . . 0.0 109.297 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 2.6 tt0 -73.36 -32.55 64.58 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.485 1.116 . . . . 0.0 110.226 -179.94 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 102' ' ' SER . . . . . 0.432 ' CB ' ' O ' ' A' ' 98' ' ' THR . 30.6 t -68.04 -34.6 76.78 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.435 1.085 . . . . 0.0 109.956 -179.95 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 103' ' ' LEU . . . . . 1.049 HD21 HG11 ' A' ' 120' ' ' VAL . 15.2 mt -109.37 13.39 24.21 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.545 1.153 . . . . 0.0 109.265 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 12.3 t30 40.92 73.12 0.13 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.453 1.096 . . . . 0.0 109.304 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 105' ' ' ILE . . . . . 0.954 HD11 HD11 ' A' ' 123' ' ' ILE . 61.6 mt -110.65 133.05 57.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.4 1.062 . . . . 0.0 109.371 179.919 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 106' ' ' SER . . . . . 0.41 ' HA ' HD21 ' A' ' 69' ' ' LEU . 13.1 p -146.43 33.91 0.96 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.46 1.1 . . . . 0.0 110.011 -179.924 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 2.0 p -147.17 132.33 11.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.548 1.155 . . . . 0.0 109.357 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 108' ' ' TYR . . . . . 0.572 ' CE1' ' HB3' ' A' ' 31' ' ' PHE . 23.0 m-85 -131.03 152.73 81.19 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.499 1.124 . . . . 0.0 111.016 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 109' ' ' PRO . . . . . 0.523 ' C ' ' HA ' ' A' ' 108' ' ' TYR . 18.3 Cg_endo -75.09 157.98 99.18 Favored 'Cis proline' 0 C--N 1.359 1.115 0 C-N-CA 121.04 -2.483 . . . . 0.0 110.979 0.104 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 110' ' ' SER . . . . . 0.414 ' O ' ' HA ' ' A' ' 30' ' ' LYS . 0.4 OUTLIER -130.71 161.0 32.63 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.54 1.15 . . . . 0.0 110.055 -180.0 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 111' ' ' TRP . . . . . 0.448 ' CZ2' ' HG3' ' A' ' 30' ' ' LYS . 76.1 m95 -135.64 139.65 43.93 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 108.016 -1.105 . . . . 0.0 108.016 179.941 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 112' ' ' ALA . . . . . 0.498 ' HB3' ' HB ' ' A' ' 29' ' ' ILE . . . -131.19 132.23 44.56 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.379 1.049 . . . . 0.0 109.236 -179.947 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 113' ' ' LEU . . . . . 0.681 ' C ' HD12 ' A' ' 114' ' ' ILE . 16.6 tp -108.3 126.83 53.28 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.52 1.138 . . . . 0.0 109.285 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 114' ' ' ILE . . . . . 0.681 HD12 ' C ' ' A' ' 113' ' ' LEU . 1.7 mp -113.72 132.8 61.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.508 1.13 . . . . 0.0 109.278 179.941 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 115' ' ' GLY . . . . . 0.416 ' N ' ' HB2' ' A' ' 121' ' ' GLN . . . -52.41 169.67 0.62 Allowed Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.489 1.118 . . . . 0.0 111.016 179.961 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.18 -13.76 62.6 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.565 0.803 . . . . 0.0 109.309 -179.944 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -85.85 -17.57 35.25 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.511 1.132 . . . . 0.0 109.28 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 118' ' ' GLY . . . . . 0.428 ' HA2' ' CG2' ' A' ' 114' ' ' ILE . . . 96.89 32.7 6.38 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.606 1.191 . . . . 0.0 110.982 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 119' ' ' ASP . . . . . 0.514 ' N ' HG23 ' A' ' 114' ' ' ILE . 0.9 OUTLIER -124.72 142.37 51.44 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.557 0.798 . . . . 0.0 109.367 179.922 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 120' ' ' VAL . . . . . 1.049 HG11 HD21 ' A' ' 103' ' ' LEU . 75.1 t -44.69 118.56 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.444 1.09 . . . . 0.0 109.353 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 121' ' ' GLN . . . . . 0.416 ' HB2' ' N ' ' A' ' 115' ' ' GLY . 3.0 tt0 -98.98 -57.54 2.15 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.534 1.147 . . . . 0.0 110.237 -179.912 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -147.83 140.68 24.81 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.533 1.146 . . . . 0.0 110.337 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 123' ' ' ILE . . . . . 0.954 HD11 HD11 ' A' ' 105' ' ' ILE . 0.9 OUTLIER -105.38 134.0 48.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.479 1.112 . . . . 0.0 109.261 -179.928 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 97.5 t -124.47 130.39 73.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.411 1.069 . . . . 0.0 109.275 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 28.6 mttt -117.17 119.4 35.11 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.535 1.147 . . . . 0.0 109.227 -179.945 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . 126.33 -171.77 18.07 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.484 1.115 . . . . 0.0 110.972 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 3.6 m -103.1 135.92 43.87 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.562 0.801 . . . . 0.0 110.045 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 128' ' ' ILE . . . . . . . . . . . . . 18.5 pt -114.96 162.83 12.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.463 1.102 . . . . 0.0 109.331 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 129' ' ' ASN . . . . . . . . . . . . . 3.0 p30 -108.16 168.62 9.17 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.57 1.168 . . . . 0.0 109.33 179.938 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 27.0 tt0 -49.82 -41.64 45.35 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.545 1.153 . . . . 0.0 110.254 -179.919 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -55.43 -53.46 56.04 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.528 1.143 . . . . 0.0 109.278 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -50.91 -45.5 60.31 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.449 1.093 . . . . 0.0 110.354 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -51.38 -45.71 62.53 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.567 1.167 . . . . 0.0 109.332 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 134' ' ' LEU . . . . . 0.402 ' CD2' ' HB3' ' A' ' 54' ' ' LYS . 25.5 mt -68.73 -52.68 28.03 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.447 1.092 . . . . 0.0 109.236 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -52.86 -23.54 7.25 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.539 1.149 . . . . 0.0 109.214 -179.914 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -76.4 -48.56 19.37 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.531 1.145 . . . . 0.0 109.278 -179.953 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 137' ' ' ILE . . . . . . . . . . . . . 5.8 mt -70.29 -23.4 24.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.417 1.073 . . . . 0.0 109.258 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -81.5 -47.51 13.04 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.491 1.119 . . . . 0.0 110.338 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 12.7 t0 -154.86 123.76 3.06 Favored Pre-proline 0 C--N 1.324 -0.526 0 O-C-N 124.58 1.175 . . . . 0.0 109.349 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 -13.7 21.4 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.517 1.798 . . . . 0.0 110.969 -179.941 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 141' ' ' ASN . . . . . . . . . . . . . 67.3 m-80 -78.69 -27.31 45.05 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.443 1.09 . . . . 0.0 109.337 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -56.19 107.71 0.39 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.459 1.1 . . . . 0.0 109.235 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 143' ' ' ASP . . . . . 0.452 ' O ' ' C ' ' A' ' 144' ' ' LEU . 2.0 t70 -108.9 155.27 21.02 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.52 1.137 . . . . 0.0 109.3 179.934 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 144' ' ' LEU . . . . . 0.452 ' C ' ' O ' ' A' ' 143' ' ' ASP . 4.0 pp . . . . . 0 C--N 1.324 -0.507 0 O-C-N 124.485 1.115 . . . . 0.0 109.275 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.71 HD11 ' CD1' ' A' ' 99' ' ' ILE . 20.8 mt . . . . . 0 N--CA 1.452 -0.33 0 N-CA-C 109.372 -0.603 . . . . 0.0 109.372 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . 0.412 ' HA ' ' O ' ' A' ' 15' ' ' ARG . 0.4 OUTLIER -133.96 149.02 51.23 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.472 1.108 . . . . 0.0 109.26 -179.921 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . 0.565 HG22 HG22 ' A' ' 92' ' ' VAL . 10.1 p -92.68 177.47 6.09 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.57 1.168 . . . . 0.0 110.454 179.932 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -66.26 -11.44 50.31 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.486 1.116 . . . . 0.0 109.302 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -98.77 20.47 13.0 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.456 1.098 . . . . 0.0 109.309 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 51.57 30.05 6.11 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.48 1.113 . . . . 0.0 109.291 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . 0.412 ' O ' ' HA ' ' A' ' 10' ' ' LYS . 19.7 mtp180 -102.07 153.64 37.89 Favored Pre-proline 0 C--N 1.324 -0.525 0 O-C-N 124.56 1.163 . . . . 0.0 110.247 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.92 130.07 13.01 Favored 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.474 1.776 . . . . 0.0 111.037 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -65.01 -14.51 60.59 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.543 1.152 . . . . 0.0 109.277 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . 0.401 ' O ' ' N ' ' A' ' 21' ' ' LEU . 55.6 p -61.39 -40.32 93.91 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.481 1.113 . . . . 0.0 110.035 -179.947 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 27.2 t -53.33 -23.06 6.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.561 1.163 . . . . 0.0 109.321 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' TYR . . . . . 0.416 ' CZ ' ' HB3' ' A' ' 90' ' ' PRO . 14.8 m-85 -101.88 23.0 12.04 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.373 1.045 . . . . 0.0 110.979 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.496 ' O ' ' CB ' ' A' ' 22' ' ' LYS . 0.2 OUTLIER -151.53 115.24 4.89 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.44 1.087 . . . . 0.0 109.312 179.975 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . 0.496 ' CB ' ' O ' ' A' ' 21' ' ' LEU . 0.0 OUTLIER 164.27 -178.14 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.518 1.136 . . . . 0.0 109.31 -179.974 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 66.06 26.31 10.77 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.451 1.095 . . . . 0.0 109.244 179.948 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 67.6 m-20 40.43 39.19 0.67 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.608 1.193 . . . . 0.0 109.3 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 1.2 mttp -103.34 160.61 25.61 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.461 1.101 . . . . 0.0 109.346 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 154.45 42.81 Favored 'Trans proline' 0 C--N 1.361 1.217 0 O-C-N 124.423 1.749 . . . . 0.0 110.967 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . 0.545 HG23 ' HB2' ' A' ' 59' ' ' ASN . 40.2 m -129.8 141.12 50.9 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.46 1.1 . . . . 0.0 110.353 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 16.5 tp -125.32 129.99 51.07 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.425 1.078 . . . . 0.0 109.272 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.443 HG23 HG23 ' A' ' 63' ' ' VAL . 12.5 mt -110.4 148.22 14.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.473 1.108 . . . . 0.0 109.279 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.563 ' HB2' ' CE3' ' A' ' 111' ' ' TRP . 3.6 tptp -138.35 115.44 10.94 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.55 1.157 . . . . 0.0 109.306 179.943 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . 0.593 ' HB3' ' CE1' ' A' ' 108' ' ' TYR . 61.4 m-85 -86.21 137.3 32.74 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.541 1.15 . . . . 0.0 110.993 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' TRP . . . . . 0.565 ' CZ3' HD11 ' A' ' 43' ' ' LEU . 16.7 p-90 -141.07 171.54 13.92 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.519 1.137 . . . . 0.0 108.025 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . 0.439 ' HB1' ' CE2' ' A' ' 35' ' ' TRP . . . -138.88 146.02 40.65 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.544 1.152 . . . . 0.0 109.265 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . 0.568 ' HB3' ' CZ3' ' A' ' 80' ' ' TRP . 0.3 OUTLIER -69.06 -38.7 79.22 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.5 1.125 . . . . 0.0 110.023 -179.949 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' TRP . . . . . 0.439 ' CE2' ' HB1' ' A' ' 33' ' ' ALA . 14.0 p-90 -69.13 -10.09 55.97 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.526 1.141 . . . . 0.0 107.971 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 43.1 t -94.55 114.99 64.79 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.447 1.092 . . . . 0.0 108.195 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.0 -50.61 0.13 Allowed 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.428 1.751 . . . . 0.0 110.986 179.933 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.422 ' HG ' ' N ' ' A' ' 39' ' ' CYS . 0.3 OUTLIER -50.34 -35.08 26.22 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.57 1.169 . . . . 0.0 109.289 179.973 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . 0.422 ' N ' ' HG ' ' A' ' 38' ' ' LEU . 1.0 OUTLIER -70.54 -50.91 32.58 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.503 1.127 . . . . 0.0 108.311 -179.977 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 43.0 mt -51.13 -47.14 62.1 Favored 'General case' 0 C--N 1.327 -0.41 0 O-C-N 124.463 1.102 . . . . 0.0 109.277 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 9.3 p -67.74 -24.89 65.41 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.526 1.141 . . . . 0.0 110.027 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . 0.41 ' O ' ' N ' ' A' ' 46' ' ' THR . 0.8 OUTLIER -75.87 -28.92 58.35 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.454 1.096 . . . . 0.0 110.294 179.981 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.565 HD11 ' CZ3' ' A' ' 32' ' ' TRP . 13.8 mt -47.94 -54.68 12.0 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.546 1.154 . . . . 0.0 109.343 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -51.62 -44.6 54.26 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.454 1.096 . . . . 0.0 111.05 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . 0.411 ' O ' ' CG ' ' A' ' 49' ' ' TRP . 1.1 tt0 -71.36 -32.0 68.01 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.562 0.801 . . . . 0.0 110.288 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . 0.41 ' N ' ' O ' ' A' ' 42' ' ' GLU . 3.3 m -76.74 -29.14 56.04 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.524 1.14 . . . . 0.0 110.349 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . 0.436 ' N ' ' O ' ' A' ' 43' ' ' LEU . 23.5 tt0 -70.66 -40.15 73.18 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.488 1.118 . . . . 0.0 110.309 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.36 -32.31 48.97 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.459 1.099 . . . . 0.0 109.294 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' TRP . . . . . 0.411 ' CG ' ' O ' ' A' ' 45' ' ' GLN . 30.3 m0 -64.69 -30.45 71.47 Favored 'General case' 0 C--N 1.323 -0.576 0 O-C-N 124.55 1.157 . . . . 0.0 107.969 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -76.37 -9.09 58.38 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.473 1.108 . . . . 0.0 109.359 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 15.4 mt-30 -104.5 -3.37 24.03 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.566 1.166 . . . . 0.0 110.352 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . 0.43 ' OD1' ' N ' ' A' ' 54' ' ' LYS . 4.1 t0 -76.69 131.81 39.0 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.514 1.133 . . . . 0.0 109.221 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -53.59 -48.94 68.78 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.467 1.105 . . . . 0.0 109.209 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . 0.43 ' N ' ' OD1' ' A' ' 52' ' ' ASP . 0.1 OUTLIER -50.38 -43.03 54.24 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.549 1.156 . . . . 0.0 109.286 179.968 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . 0.577 ' CD1' HD12 ' A' ' 60' ' ' LEU . 1.3 m-85 -77.26 -36.2 54.62 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.459 1.099 . . . . 0.0 110.959 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . 0.408 ' O ' ' C ' ' A' ' 57' ' ' SER . 20.5 m -46.71 -44.65 18.92 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.475 1.109 . . . . 0.0 109.979 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . 0.408 ' C ' ' O ' ' A' ' 56' ' ' SER . 0.2 OUTLIER -38.97 -44.95 1.14 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.5 1.125 . . . . 0.0 109.995 -179.983 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -110.86 166.24 11.19 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.434 1.084 . . . . 0.0 109.232 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . 0.545 ' HB2' HG23 ' A' ' 27' ' ' THR . 16.9 m-20 -88.39 127.51 35.5 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.568 1.168 . . . . 0.0 109.221 -179.899 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.577 HD12 ' CD1' ' A' ' 55' ' ' PHE . 6.8 tt -116.97 126.13 52.45 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.487 1.117 . . . . 0.0 109.332 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.933 HD12 HG21 ' A' ' 92' ' ' VAL . 9.5 pt -151.67 160.38 3.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.39 1.057 . . . . 0.0 109.226 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . 0.4 ' OG1' ' HA ' ' A' ' 91' ' ' VAL . 27.4 p -112.14 156.69 21.86 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.444 1.09 . . . . 0.0 110.37 -179.916 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . 0.443 HG23 HG23 ' A' ' 29' ' ' ILE . 3.0 t -129.0 140.95 47.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.508 1.13 . . . . 0.0 109.284 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -134.72 143.56 47.25 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.454 1.096 . . . . 0.0 109.262 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . 0.436 ' CB ' ' HB3' ' A' ' 68' ' ' PHE . 1.6 m -114.13 107.63 51.64 Favored Pre-proline 0 C--N 1.326 -0.423 0 O-C-N 124.535 1.147 . . . . 0.0 110.025 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . 0.487 ' HA ' ' O ' ' A' ' 72' ' ' LYS . 18.2 Cg_endo -75.05 135.51 19.08 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.528 1.804 . . . . 0.0 111.077 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 66.96 8.0 46.5 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.541 1.151 . . . . 0.0 110.913 -179.935 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . 0.504 ' CD1' ' HB2' ' A' ' 69' ' ' LEU . 3.4 t80 -120.05 127.21 52.36 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.454 0.738 . . . . 0.0 111.005 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.749 HD23 ' CE2' ' A' ' 108' ' ' TYR . 5.7 tp 77.38 31.35 0.48 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.539 1.149 . . . . 0.0 109.263 179.944 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 57.3 m80 65.33 14.23 9.3 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.534 1.146 . . . . 0.0 109.668 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . 0.442 ' HB2' ' O ' ' A' ' 68' ' ' PHE . 0.1 OUTLIER -81.04 145.16 31.27 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.459 1.099 . . . . 0.0 110.335 -179.96 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . 0.487 ' O ' ' HA ' ' A' ' 66' ' ' PRO . 0.7 OUTLIER -39.85 152.04 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.443 1.09 . . . . 0.0 109.32 179.997 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 3.7 ttpt -77.92 165.86 23.58 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.437 1.085 . . . . 0.0 109.349 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' ASP . . . . . 0.419 ' N ' ' HB2' ' A' ' 66' ' ' PRO . 0.0 OUTLIER -65.94 147.04 53.98 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.46 1.1 . . . . 0.0 109.31 179.953 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 86.77 -48.29 3.85 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.514 1.134 . . . . 0.0 110.991 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 78.5 m-20 -76.75 -28.71 55.84 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.536 0.786 . . . . 0.0 109.303 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 4.8 t80 -77.67 -54.95 5.77 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.509 1.13 . . . . 0.0 111.019 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 16.1 pt20 -52.46 -34.93 51.25 Favored 'General case' 0 C--N 1.323 -0.548 0 O-C-N 124.426 1.078 . . . . 0.0 110.344 179.859 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -72.0 -39.58 69.13 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.577 1.173 . . . . 0.0 109.324 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 80' ' ' TRP . . . . . 0.568 ' CZ3' ' HB3' ' A' ' 34' ' ' SER . 7.0 t90 . . . . . 0 C--N 1.326 -0.418 0 N-CA-C 108.02 -1.104 . . . . 0.0 108.02 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 2.5 mtmm . . . . . 0 N--CA 1.453 -0.32 0 N-CA-C 109.299 -0.63 . . . . 0.0 109.299 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . 0.919 HD12 ' HD2' ' A' ' 90' ' ' PRO . 0.5 OUTLIER -113.72 132.37 22.62 Favored Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.429 1.081 . . . . 0.0 109.294 179.928 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 90' ' ' PRO . . . . . 0.919 ' HD2' HD12 ' A' ' 89' ' ' LEU . 18.3 Cg_endo -74.95 126.88 10.29 Favored 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.46 1.768 . . . . 0.0 111.003 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . 0.483 ' O ' ' CB ' ' A' ' 11' ' ' THR . 3.7 t -137.81 122.53 23.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 O-C-N 124.512 1.132 . . . . 0.0 109.327 179.939 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . 0.933 HG21 HD12 ' A' ' 61' ' ' ILE . 28.2 t -116.58 134.19 60.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.546 1.154 . . . . 0.0 109.298 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 4.7 p -118.88 118.59 31.94 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.392 1.058 . . . . 0.0 110.377 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 58.6 t0 -114.88 111.18 20.79 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.528 1.142 . . . . 0.0 109.328 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 22.3 t-20 -58.43 113.48 2.0 Allowed 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.511 1.132 . . . . 0.0 109.302 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 87.37 -19.71 30.37 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.482 1.114 . . . . 0.0 111.073 -179.939 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 63.98 71.48 0.84 Allowed Glycine 0 CA--C 1.53 0.976 0 N-CA-C 110.973 -0.851 . . . . 0.0 110.973 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 2.5 m -61.95 -36.77 82.4 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.483 0.754 . . . . 0.0 110.399 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 99' ' ' ILE . . . . . 0.71 ' CD1' HD11 ' A' ' 9' ' ' LEU . 3.1 mt -74.47 -37.74 44.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.545 1.153 . . . . 0.0 109.32 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -70.55 -37.23 74.0 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.452 1.095 . . . . 0.0 109.233 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -79.68 -34.88 39.9 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.517 1.136 . . . . 0.0 110.303 -179.952 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 34.2 t -63.56 -39.16 93.68 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.556 1.16 . . . . 0.0 109.969 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . 0.82 HD13 HD12 ' A' ' 123' ' ' ILE . 58.8 mt -88.93 -1.45 58.1 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.495 1.122 . . . . 0.0 109.324 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 16.5 t-20 54.55 49.88 17.25 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.54 1.15 . . . . 0.0 109.352 -179.906 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 105' ' ' ILE . . . . . 0.5 HG22 ' H ' ' A' ' 107' ' ' VAL . 18.7 mt -83.84 -79.09 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.4 1.063 . . . . 0.0 109.323 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 22.5 p 53.73 32.1 14.1 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.524 1.14 . . . . 0.0 109.983 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 107' ' ' VAL . . . . . 0.5 ' H ' HG22 ' A' ' 105' ' ' ILE . 7.7 p -148.66 132.05 7.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.627 1.204 . . . . 0.0 109.3 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 108' ' ' TYR . . . . . 0.749 ' CE2' HD23 ' A' ' 69' ' ' LEU . 17.4 m-85 -130.76 153.17 81.53 Favored Pre-proline 0 C--N 1.324 -0.538 0 O-C-N 124.603 1.19 . . . . 0.0 111.027 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 109' ' ' PRO . . . . . 0.523 ' C ' ' HA ' ' A' ' 108' ' ' TYR . 18.5 Cg_endo -75.03 173.03 60.03 Favored 'Cis proline' 0 C--N 1.36 1.175 0 C-N-CA 120.982 -2.507 . . . . 0.0 111.006 0.059 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 110' ' ' SER . . . . . 0.404 ' O ' ' HA ' ' A' ' 30' ' ' LYS . 5.1 m -158.18 149.54 21.17 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.536 1.147 . . . . 0.0 109.912 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 111' ' ' TRP . . . . . 0.563 ' CE3' ' HB2' ' A' ' 30' ' ' LYS . 83.5 m95 -123.36 141.59 51.83 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.611 1.194 . . . . 0.0 108.013 179.942 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -133.8 138.14 45.52 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.502 1.126 . . . . 0.0 109.291 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 49.5 tp -108.58 133.45 52.69 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.455 1.097 . . . . 0.0 109.297 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 114' ' ' ILE . . . . . 0.549 HD13 ' HA ' ' A' ' 120' ' ' VAL . 48.7 mm -120.55 115.23 46.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.515 1.135 . . . . 0.0 109.286 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -43.04 166.71 0.01 OUTLIER Glycine 0 CA--C 1.531 1.064 0 O-C-N 124.563 1.165 . . . . 0.0 110.979 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.34 -10.32 49.82 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.534 0.785 . . . . 0.0 109.305 -179.947 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -85.8 -22.12 27.8 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.511 1.132 . . . . 0.0 109.303 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . 99.49 30.28 6.63 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.561 1.163 . . . . 0.0 110.948 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 1.1 p30 -124.07 159.74 29.26 Favored 'General case' 0 C--N 1.323 -0.557 0 O-C-N 124.556 0.798 . . . . 0.0 109.294 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 120' ' ' VAL . . . . . 0.549 ' HA ' HD13 ' A' ' 114' ' ' ILE . 84.1 t -59.64 117.86 2.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.533 1.146 . . . . 0.0 109.286 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -101.46 -55.51 2.51 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.438 1.086 . . . . 0.0 110.337 179.938 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -148.34 142.31 25.86 Favored 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.528 1.142 . . . . 0.0 110.292 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 123' ' ' ILE . . . . . 0.82 HD12 HD13 ' A' ' 103' ' ' LEU . 12.3 tt -114.29 136.83 49.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.509 1.131 . . . . 0.0 109.333 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 73.5 t -122.15 137.21 56.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.545 1.153 . . . . 0.0 109.241 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 9.9 pttt -113.98 119.95 38.95 Favored 'General case' 0 C--N 1.326 -0.415 0 O-C-N 124.477 1.111 . . . . 0.0 109.281 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . 119.67 -146.37 18.04 Favored Glycine 0 CA--C 1.529 0.911 0 O-C-N 124.448 1.093 . . . . 0.0 111.034 -179.931 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -125.99 161.48 27.42 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.382 0.695 . . . . 0.0 109.984 -179.927 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 128' ' ' ILE . . . . . . . . . . . . . 13.9 pt -136.41 166.77 25.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.532 1.145 . . . . 0.0 109.316 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 129' ' ' ASN . . . . . 0.677 ' ND2' ' HB3' ' A' ' 131' ' ' ALA . 1.6 p-10 -106.57 169.17 8.68 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.61 1.194 . . . . 0.0 109.249 -179.929 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 10.4 tt0 -56.57 -36.8 69.73 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.509 1.131 . . . . 0.0 110.318 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 131' ' ' ALA . . . . . 0.677 ' HB3' ' ND2' ' A' ' 129' ' ' ASN . . . -63.16 -50.09 71.76 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.493 1.12 . . . . 0.0 109.282 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 1.3 tt0 -50.95 -44.88 60.56 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.577 1.173 . . . . 0.0 110.315 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 133' ' ' ALA . . . . . 0.486 ' CB ' ' CZ ' ' A' ' 55' ' ' PHE . . . -52.79 -45.64 67.28 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.487 1.117 . . . . 0.0 109.3 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 23.2 mt . . . . . 0 C--N 1.325 -0.465 0 O-C-N 124.486 1.116 . . . . 0.0 109.304 -179.93 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 3.9 mm? . . . . . 0 N--CA 1.454 -0.262 0 N-CA-C 109.211 -0.662 . . . . 0.0 109.211 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . 0.406 ' HA ' ' O ' ' A' ' 15' ' ' ARG . 4.5 mmmt -116.37 141.07 48.64 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.486 1.116 . . . . 0.0 109.368 179.933 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . 0.632 HG22 HG22 ' A' ' 92' ' ' VAL . 13.4 p -82.36 -177.38 6.64 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.474 1.109 . . . . 0.0 110.435 -179.923 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -73.69 -3.98 31.57 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.571 1.169 . . . . 0.0 109.348 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -109.04 26.65 10.37 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.54 1.15 . . . . 0.0 109.326 179.876 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 47.22 36.26 4.42 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.509 1.131 . . . . 0.0 109.309 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . 0.406 ' O ' ' HA ' ' A' ' 10' ' ' LYS . 5.3 mtt180 -111.03 157.35 38.97 Favored Pre-proline 0 C--N 1.326 -0.433 0 O-C-N 124.451 1.094 . . . . 0.0 110.254 -179.948 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . 0.823 ' O ' HG22 ' A' ' 19' ' ' VAL . 18.4 Cg_endo -75.04 128.66 11.63 Favored 'Trans proline' 0 C--N 1.361 1.23 0 O-C-N 124.496 1.787 . . . . 0.0 110.987 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -49.36 -30.91 8.39 Favored 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.507 1.129 . . . . 0.0 109.224 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -55.04 -19.22 6.58 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.49 1.119 . . . . 0.0 109.971 -179.884 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.823 HG22 ' O ' ' A' ' 16' ' ' PRO . 12.2 m -48.05 -48.01 12.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.503 1.127 . . . . 0.0 109.31 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 18.5 m-85 -117.72 24.51 11.01 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.534 1.146 . . . . 0.0 110.995 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -112.83 111.06 21.57 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.527 1.142 . . . . 0.0 109.292 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -112.38 127.77 56.11 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.397 1.061 . . . . 0.0 109.3 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.9 16.54 2.76 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.474 1.109 . . . . 0.0 109.242 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -144.06 16.74 1.74 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.533 1.145 . . . . 0.0 109.314 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 6.9 mmmt -145.32 154.71 53.83 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.542 1.151 . . . . 0.0 109.23 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.93 128.55 11.63 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.571 1.827 . . . . 0.0 111.012 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 24.8 m -112.1 130.43 55.89 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.551 1.157 . . . . 0.0 110.48 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.785 HD12 ' O ' ' A' ' 112' ' ' ALA . 53.1 tp -111.45 129.57 55.99 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.471 1.107 . . . . 0.0 109.298 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.733 ' HB ' ' HB3' ' A' ' 112' ' ' ALA . 4.4 mt -108.98 149.38 12.24 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 O-C-N 124.555 1.16 . . . . 0.0 109.321 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.558 ' HD2' ' CZ2' ' A' ' 111' ' ' TRP . 12.6 tttt -139.18 117.09 11.62 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.547 1.154 . . . . 0.0 109.285 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . 0.631 ' CZ ' HD12 ' A' ' 105' ' ' ILE . 41.7 m-85 -89.61 120.4 30.86 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.459 1.1 . . . . 0.0 111.027 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' TRP . . . . . 0.768 ' CE3' HD21 ' A' ' 43' ' ' LEU . 6.4 p-90 -127.15 168.34 14.8 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 108.074 -1.084 . . . . 0.0 108.074 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . 0.484 ' HB3' ' HB2' ' A' ' 36' ' ' CYS . . . -132.23 135.65 46.44 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.562 1.164 . . . . 0.0 109.26 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . 0.6 ' O ' HD11 ' A' ' 40' ' ' LEU . 0.5 OUTLIER -63.79 -35.73 81.58 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.497 1.123 . . . . 0.0 110.041 179.986 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 23.6 p-90 -71.46 -19.44 62.22 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.479 1.112 . . . . 0.0 108.041 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . 0.484 ' HB2' ' HB3' ' A' ' 33' ' ' ALA . 37.3 t -81.13 116.54 63.3 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.508 1.13 . . . . 0.0 108.284 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . 0.492 ' HA ' HD12 ' A' ' 40' ' ' LEU . 18.3 Cg_endo -75.06 -46.93 0.21 Allowed 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.483 1.781 . . . . 0.0 110.955 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.561 HD23 ' O ' ' A' ' 38' ' ' LEU . 3.2 tt -52.69 -32.26 41.67 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.477 1.11 . . . . 0.0 109.332 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 36.1 m -77.38 -45.02 27.31 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.482 1.114 . . . . 0.0 108.35 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.6 HD11 ' O ' ' A' ' 34' ' ' SER . 23.2 mt -51.38 -45.3 62.39 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.456 1.097 . . . . 0.0 109.338 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.4 p -70.53 -24.91 62.9 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.479 1.112 . . . . 0.0 109.972 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 2.8 tp10 -78.54 -24.46 45.64 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.572 1.17 . . . . 0.0 110.26 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.768 HD21 ' CE3' ' A' ' 32' ' ' TRP . 70.7 mt -46.33 -54.35 9.14 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.545 1.153 . . . . 0.0 109.24 -179.94 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -55.49 -52.67 46.36 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.409 1.068 . . . . 0.0 110.934 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 7.5 tt0 -56.72 -33.07 66.14 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.547 0.793 . . . . 0.0 110.212 -179.853 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 87.9 m -69.89 -42.63 73.16 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.518 1.137 . . . . 0.0 110.433 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 20.3 tt0 -65.81 -33.06 75.0 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.495 1.122 . . . . 0.0 110.256 -179.932 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 11.3 tptt -77.92 -38.7 44.97 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.464 1.103 . . . . 0.0 109.356 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' TRP . . . . . 0.501 ' HB3' ' CE2' ' A' ' 55' ' ' PHE . 40.8 m0 -69.57 -27.89 65.51 Favored 'General case' 0 C--N 1.327 -0.401 0 O-C-N 124.476 1.11 . . . . 0.0 108.01 -179.941 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -75.02 -9.14 58.25 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.485 1.116 . . . . 0.0 109.288 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 4.7 mm-40 -106.14 -16.03 14.71 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.488 1.118 . . . . 0.0 110.318 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 44.6 t0 -63.83 125.19 23.56 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.543 1.152 . . . . 0.0 109.306 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -50.02 -45.51 52.03 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.447 1.092 . . . . 0.0 109.3 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 60.4 mmtt -49.39 -45.06 45.58 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.495 1.122 . . . . 0.0 109.313 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . 0.645 ' CE1' HD12 ' A' ' 60' ' ' LEU . 2.2 m-85 -73.99 -30.78 62.66 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.508 1.13 . . . . 0.0 110.992 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 5.2 t -46.4 -39.03 9.78 Favored 'General case' 0 C--N 1.323 -0.568 0 O-C-N 124.51 1.131 . . . . 0.0 109.935 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 11.8 t -40.71 -56.72 2.08 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.526 1.142 . . . . 0.0 110.052 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -105.96 165.83 10.93 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.459 1.099 . . . . 0.0 109.232 -179.93 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . 0.408 ' N ' ' OD1' ' A' ' 59' ' ' ASN . 0.3 OUTLIER -88.95 123.62 33.47 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.557 1.161 . . . . 0.0 109.263 -179.978 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.741 ' C ' HD23 ' A' ' 60' ' ' LEU . 2.9 tt -109.83 127.57 54.77 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.505 1.128 . . . . 0.0 109.281 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.551 ' N ' HD23 ' A' ' 60' ' ' LEU . 1.0 OUTLIER -151.21 161.48 3.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.511 1.132 . . . . 0.0 109.278 179.995 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . 0.478 ' HB ' ' CD1' ' A' ' 32' ' ' TRP . 34.9 p -116.06 150.92 36.53 Favored 'General case' 0 C--N 1.327 -0.407 0 O-C-N 124.464 1.102 . . . . 0.0 110.395 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . 0.447 HG23 HG23 ' A' ' 29' ' ' ILE . 2.2 t -122.92 144.16 33.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.597 1.185 . . . . 0.0 109.286 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . 0.446 ' N ' ' O ' ' A' ' 92' ' ' VAL . . . -134.59 139.13 45.12 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.531 1.144 . . . . 0.0 109.262 -179.932 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . 0.438 ' CB ' ' HB3' ' A' ' 68' ' ' PHE . 10.0 m -113.18 108.16 53.13 Favored Pre-proline 0 C--N 1.326 -0.416 0 O-C-N 124.445 1.091 . . . . 0.0 109.98 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.91 135.12 18.83 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.525 1.803 . . . . 0.0 111.045 179.936 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 72.32 3.26 56.93 Favored Glycine 0 CA--C 1.531 1.061 0 O-C-N 124.436 1.085 . . . . 0.0 110.99 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . 0.438 ' HB3' ' CB ' ' A' ' 65' ' ' SER . 70.8 t80 -120.97 131.96 54.63 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.475 0.75 . . . . 0.0 111.017 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.423 HD23 ' CE2' ' A' ' 68' ' ' PHE . 0.2 OUTLIER 75.62 20.04 1.95 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.375 1.047 . . . . 0.0 109.297 -179.977 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER 71.09 27.38 3.31 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.472 1.107 . . . . 0.0 109.607 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -90.56 144.09 26.11 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.538 1.149 . . . . 0.0 110.28 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . 0.422 ' HE2' ' CE3' ' A' ' 80' ' ' TRP . 0.9 OUTLIER -40.71 148.85 0.09 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.575 1.172 . . . . 0.0 109.372 179.957 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 13.8 ptmt -74.81 163.11 28.02 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.513 1.133 . . . . 0.0 109.291 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -58.82 139.65 56.12 Favored 'General case' 0 C--N 1.327 -0.408 0 O-C-N 124.528 1.143 . . . . 0.0 109.307 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 90.49 -43.82 2.91 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.413 1.071 . . . . 0.0 110.993 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -74.1 -32.29 63.16 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.55 0.794 . . . . 0.0 109.354 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' PHE . . . . . 0.42 ' CD2' ' N ' ' A' ' 78' ' ' GLN . 5.1 t80 -77.53 -57.69 3.68 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.45 1.094 . . . . 0.0 111.049 179.903 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' GLN . . . . . 0.42 ' N ' ' CD2' ' A' ' 77' ' ' PHE . 16.2 pt20 -51.12 -28.64 11.26 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.514 1.134 . . . . 0.0 110.3 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -68.28 -50.55 52.92 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.54 1.15 . . . . 0.0 109.372 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 80' ' ' TRP . . . . . 0.585 ' CZ3' ' HB3' ' A' ' 34' ' ' SER . 5.5 t90 . . . . . 0 C--N 1.326 -0.42 0 N-CA-C 108.003 -1.11 . . . . 0.0 108.003 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 11.1 mttt . . . . . 0 N--CA 1.453 -0.297 0 N-CA-C 109.269 -0.641 . . . . 0.0 109.269 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . 0.608 HD12 ' HD2' ' A' ' 90' ' ' PRO . 2.5 tp -108.04 126.08 30.57 Favored Pre-proline 0 C--N 1.323 -0.546 0 O-C-N 124.498 1.124 . . . . 0.0 109.28 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 90' ' ' PRO . . . . . 0.608 ' HD2' HD12 ' A' ' 89' ' ' LEU . 18.5 Cg_endo -74.96 128.14 11.28 Favored 'Trans proline' 0 C--N 1.361 1.22 0 O-C-N 124.518 1.799 . . . . 0.0 111.055 179.927 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . 0.42 ' O ' ' HB ' ' A' ' 11' ' ' THR . 57.9 t -146.47 122.63 3.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.479 1.112 . . . . 0.0 109.296 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . 0.632 HG22 HG22 ' A' ' 11' ' ' THR . 59.6 t -113.59 137.97 44.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.512 1.132 . . . . 0.0 109.292 179.943 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 2.4 p -119.4 115.86 24.96 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.508 1.13 . . . . 0.0 110.348 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 94' ' ' ASP . . . . . 0.797 ' OD2' HD12 ' A' ' 99' ' ' ILE . 54.5 t0 -114.92 111.77 21.68 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.469 1.106 . . . . 0.0 109.314 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 18.0 t-20 -58.04 119.03 6.06 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.505 1.128 . . . . 0.0 109.302 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 84.98 -12.76 57.0 Favored Glycine 0 CA--C 1.531 1.068 0 O-C-N 124.52 1.137 . . . . 0.0 111.031 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 58.9 64.31 4.41 Favored Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.609 0.829 . . . . 0.0 111.08 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 98' ' ' THR . . . . . 0.466 ' O ' ' CB ' ' A' ' 102' ' ' SER . 2.8 m -62.19 -28.64 69.81 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.528 0.781 . . . . 0.0 110.393 -179.929 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 99' ' ' ILE . . . . . 0.797 HD12 ' OD2' ' A' ' 94' ' ' ASP . 3.0 mt -80.34 -36.88 16.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.491 1.119 . . . . 0.0 109.223 -179.911 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -73.52 -35.89 65.64 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.441 1.088 . . . . 0.0 109.358 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 3.7 tt0 -80.67 -34.55 34.66 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.5 1.125 . . . . 0.0 110.288 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 102' ' ' SER . . . . . 0.466 ' CB ' ' O ' ' A' ' 98' ' ' THR . 5.0 m -64.38 -28.06 69.43 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.539 1.15 . . . . 0.0 110.04 179.94 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 8.8 mt -103.08 -14.35 16.46 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.454 1.096 . . . . 0.0 109.28 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 8.2 t30 69.91 58.68 0.28 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.411 1.069 . . . . 0.0 109.318 -179.902 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 105' ' ' ILE . . . . . 0.631 HD12 ' CZ ' ' A' ' 31' ' ' PHE . 9.9 mt -106.24 112.44 39.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.452 1.095 . . . . 0.0 109.28 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 5.3 p -129.77 36.7 4.04 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.503 1.127 . . . . 0.0 109.962 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 1.8 p -148.37 132.71 9.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.539 1.15 . . . . 0.0 109.202 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 108' ' ' TYR . . . . . 0.572 ' CE1' ' HB3' ' A' ' 31' ' ' PHE . 22.6 m-85 -130.52 152.27 80.07 Favored Pre-proline 0 C--N 1.326 -0.446 0 O-C-N 124.538 1.149 . . . . 0.0 111.071 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 109' ' ' PRO . . . . . 0.528 ' C ' ' HA ' ' A' ' 108' ' ' TYR . 18.4 Cg_endo -75.05 161.53 94.63 Favored 'Cis proline' 0 C--N 1.359 1.087 0 C-N-CA 121.023 -2.49 . . . . 0.0 110.976 0.031 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 110' ' ' SER . . . . . 0.411 ' O ' ' HA ' ' A' ' 30' ' ' LYS . 0.4 OUTLIER -136.71 159.18 42.61 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.56 1.163 . . . . 0.0 109.976 -179.923 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 111' ' ' TRP . . . . . 0.558 ' CZ2' ' HD2' ' A' ' 30' ' ' LYS . 62.3 m95 -133.28 140.27 47.37 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 108.002 -1.11 . . . . 0.0 108.002 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 112' ' ' ALA . . . . . 0.785 ' O ' HD12 ' A' ' 28' ' ' LEU . . . -130.33 128.96 42.55 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.489 1.118 . . . . 0.0 109.254 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 113' ' ' LEU . . . . . 0.483 ' O ' HD13 ' A' ' 114' ' ' ILE . 36.5 tp -108.64 133.05 53.28 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.534 1.146 . . . . 0.0 109.295 -179.932 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 114' ' ' ILE . . . . . 0.483 HD13 ' O ' ' A' ' 113' ' ' LEU . 43.8 mm -121.16 117.31 52.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.362 1.038 . . . . 0.0 109.358 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -42.48 165.96 0.02 OUTLIER Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.452 1.095 . . . . 0.0 110.996 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -68.95 -15.37 63.47 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.487 0.757 . . . . 0.0 109.256 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -89.03 -19.89 25.08 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.463 1.102 . . . . 0.0 109.357 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . 102.81 24.22 8.26 Favored Glycine 0 CA--C 1.529 0.942 0 O-C-N 124.545 1.153 . . . . 0.0 110.98 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 6.4 p-10 -112.75 135.94 52.91 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.518 0.775 . . . . 0.0 109.278 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 62.8 t -41.11 113.93 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.469 1.106 . . . . 0.0 109.365 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -88.52 -58.99 2.35 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.527 1.142 . . . . 0.0 110.266 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -157.62 136.11 11.23 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.491 1.12 . . . . 0.0 110.327 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 123' ' ' ILE . . . . . . . . . . . . . 13.0 tt -109.27 123.78 65.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.524 1.14 . . . . 0.0 109.272 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 24.9 t -114.71 137.47 48.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.506 1.129 . . . . 0.0 109.256 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 2.5 mtmp? -120.3 115.54 23.76 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.428 1.08 . . . . 0.0 109.307 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . 131.64 -156.73 22.03 Favored Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.619 1.2 . . . . 0.0 111.028 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 5.0 m -115.51 136.91 52.6 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.513 0.773 . . . . 0.0 109.943 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 128' ' ' ILE . . . . . . . . . . . . . 13.3 pt -117.81 166.68 11.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.492 1.12 . . . . 0.0 109.32 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 129' ' ' ASN . . . . . 0.717 ' ND2' ' HB3' ' A' ' 131' ' ' ALA . 1.7 p-10 -106.55 168.53 9.11 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.481 1.113 . . . . 0.0 109.246 -179.913 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -53.75 -42.31 68.07 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.547 1.154 . . . . 0.0 110.385 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 131' ' ' ALA . . . . . 0.717 ' HB3' ' ND2' ' A' ' 129' ' ' ASN . . . -57.27 -51.74 68.16 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.491 1.12 . . . . 0.0 109.306 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 9.9 mt-30 -50.91 -45.4 60.32 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.471 1.107 . . . . 0.0 110.337 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 133' ' ' ALA . . . . . 0.454 ' CB ' ' CZ ' ' A' ' 55' ' ' PHE . . . -52.36 -45.04 65.56 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.413 1.07 . . . . 0.0 109.254 179.944 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 38.9 mt . . . . . 0 C--N 1.324 -0.537 0 O-C-N 124.527 1.142 . . . . 0.0 109.34 -179.999 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 3.2 mm? . . . . . 0 N--CA 1.454 -0.246 0 N-CA-C 109.301 -0.629 . . . . 0.0 109.301 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . 0.408 ' HA ' ' O ' ' A' ' 15' ' ' ARG . 17.8 mttt -127.25 156.43 41.91 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.475 1.11 . . . . 0.0 109.274 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . 0.416 ' HA ' ' O ' ' A' ' 91' ' ' VAL . 6.6 p -87.19 176.46 7.56 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.407 1.067 . . . . 0.0 110.474 179.927 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -71.86 -12.04 61.09 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.589 1.181 . . . . 0.0 109.345 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 4.0 p-10 -101.14 27.1 6.38 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.536 1.147 . . . . 0.0 109.29 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 46.38 62.82 2.12 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.48 1.113 . . . . 0.0 109.307 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . 0.408 ' O ' ' HA ' ' A' ' 10' ' ' LYS . 0.1 OUTLIER -136.0 149.82 69.56 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.555 1.159 . . . . 0.0 110.248 179.973 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.01 120.96 6.28 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.47 1.774 . . . . 0.0 110.992 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -63.72 -23.2 67.27 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.474 1.109 . . . . 0.0 109.255 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 12.2 p -64.12 -26.34 68.49 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.561 1.163 . . . . 0.0 110.062 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -58.32 -38.56 69.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.545 1.153 . . . . 0.0 109.323 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 18.1 m-85 -85.71 3.91 38.99 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.457 1.098 . . . . 0.0 110.971 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.481 HD21 HG21 ' A' ' 27' ' ' THR . 0.1 OUTLIER -115.88 114.32 24.55 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.46 1.1 . . . . 0.0 109.319 179.941 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . 0.463 ' CG ' ' O ' ' A' ' 21' ' ' LEU . 0.1 OUTLIER 169.3 -176.79 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.494 1.121 . . . . 0.0 109.284 -179.987 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.421 ' O ' ' C ' ' A' ' 24' ' ' ASP . 0.2 OUTLIER 65.56 23.71 11.76 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.386 1.053 . . . . 0.0 109.281 179.968 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . 0.421 ' C ' ' O ' ' A' ' 23' ' ' LYS . 15.0 m-20 39.18 40.05 0.47 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.563 1.165 . . . . 0.0 109.294 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 8.1 mttp -101.8 162.55 20.04 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.568 1.167 . . . . 0.0 109.287 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.07 156.56 42.71 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.442 1.759 . . . . 0.0 110.992 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . 0.583 HG23 ' HB2' ' A' ' 59' ' ' ASN . 33.8 m -130.22 141.81 50.61 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.608 1.193 . . . . 0.0 110.464 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.534 HD21 ' CE3' ' A' ' 111' ' ' TRP . 12.0 tp -126.28 130.51 51.01 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.582 1.176 . . . . 0.0 109.259 -179.908 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.77 ' HB ' ' HB3' ' A' ' 112' ' ' ALA . 5.4 mp -110.27 149.65 13.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.482 1.114 . . . . 0.0 109.249 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.533 ' HB2' ' CE3' ' A' ' 111' ' ' TRP . 0.7 OUTLIER -138.61 119.2 13.95 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.518 1.136 . . . . 0.0 109.326 179.98 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . 0.581 ' HB3' ' CE1' ' A' ' 108' ' ' TYR . 25.6 m-85 -91.45 131.31 37.0 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.507 1.129 . . . . 0.0 110.967 -179.937 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' TRP . . . . . 0.63 ' CE3' HD21 ' A' ' 43' ' ' LEU . 8.7 p-90 -134.77 167.61 20.55 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.518 1.136 . . . . 0.0 107.981 179.933 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . 0.601 ' HB1' ' CE2' ' A' ' 35' ' ' TRP . . . -131.84 133.1 44.29 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.432 1.083 . . . . 0.0 109.277 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 28.0 t -59.56 -17.64 34.32 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.452 1.095 . . . . 0.0 110.062 179.929 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' TRP . . . . . 0.601 ' CE2' ' HB1' ' A' ' 33' ' ' ALA . 16.9 p-90 -92.29 -15.64 27.14 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.519 1.137 . . . . 0.0 108.022 179.919 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . 0.447 ' HB2' ' HB3' ' A' ' 33' ' ' ALA . 42.0 t -77.45 115.27 48.01 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.508 1.13 . . . . 0.0 108.245 -179.929 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . 0.454 ' HA ' HD12 ' A' ' 40' ' ' LEU . 18.2 Cg_endo -74.95 -33.72 4.44 Favored 'Trans proline' 0 C--N 1.359 1.097 0 O-C-N 124.505 1.792 . . . . 0.0 110.994 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.456 ' O ' HD22 ' A' ' 38' ' ' LEU . 1.6 tm? -65.66 -31.23 72.14 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.483 1.114 . . . . 0.0 109.352 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . 0.449 ' O ' ' N ' ' A' ' 43' ' ' LEU . 52.2 m -78.03 -42.95 30.78 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.53 1.144 . . . . 0.0 108.354 179.884 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.454 HD12 ' HA ' ' A' ' 37' ' ' PRO . 2.3 mt -51.27 -41.86 60.7 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.569 1.168 . . . . 0.0 109.304 179.929 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 83.8 p -75.36 -25.28 57.6 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.449 1.093 . . . . 0.0 110.042 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . 0.419 ' O ' ' N ' ' A' ' 46' ' ' THR . 1.8 tp10 -87.56 -10.9 50.31 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.54 1.15 . . . . 0.0 110.27 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.63 HD21 ' CE3' ' A' ' 32' ' ' TRP . 26.1 mt -53.84 -49.98 67.23 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.539 1.149 . . . . 0.0 109.291 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -67.96 -43.83 80.82 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.405 1.066 . . . . 0.0 110.979 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . 0.46 ' CG ' ' CE2' ' A' ' 49' ' ' TRP . 0.1 OUTLIER -64.06 -30.8 71.84 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.575 0.809 . . . . 0.0 110.27 -179.96 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . 0.419 ' N ' ' O ' ' A' ' 42' ' ' GLU . 89.5 m -74.47 -39.22 62.63 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.472 1.108 . . . . 0.0 110.468 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 34.6 tt0 -69.0 -31.12 69.72 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.565 1.165 . . . . 0.0 110.357 179.904 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . 0.413 ' O ' ' HG3' ' A' ' 51' ' ' GLN . 7.4 tptm -78.32 -54.44 6.2 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.506 1.129 . . . . 0.0 109.373 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' TRP . . . . . 0.522 ' CE2' ' HB2' ' A' ' 130' ' ' GLU . 47.9 m0 -56.75 -26.37 57.19 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 108.027 -1.101 . . . . 0.0 108.027 179.929 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -74.81 -10.6 59.67 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.622 1.201 . . . . 0.0 109.273 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . 0.458 ' O ' ' NE2' ' A' ' 51' ' ' GLN . 0.0 OUTLIER -109.95 -8.86 14.8 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.433 1.083 . . . . 0.0 110.267 -179.96 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . 0.43 ' OD1' ' N ' ' A' ' 54' ' ' LYS . 3.7 t0 -61.44 127.94 33.89 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.475 1.109 . . . . 0.0 109.311 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -55.38 -49.61 71.85 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.447 1.092 . . . . 0.0 109.311 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . 0.43 ' N ' ' OD1' ' A' ' 52' ' ' ASP . 14.3 mmtt -48.92 -37.82 20.99 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.545 1.153 . . . . 0.0 109.301 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . 0.834 ' CE1' HD12 ' A' ' 60' ' ' LEU . 0.1 OUTLIER -76.91 -27.79 55.05 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.482 1.114 . . . . 0.0 110.96 -179.986 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 9.3 t -46.54 -31.16 2.6 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.468 1.105 . . . . 0.0 110.006 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 1.4 m -45.9 -53.23 10.18 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.469 1.106 . . . . 0.0 110.022 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -111.02 165.61 11.74 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.47 1.106 . . . . 0.0 109.341 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . 0.583 ' HB2' HG23 ' A' ' 27' ' ' THR . 3.9 m-20 -89.18 125.21 34.97 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.494 1.121 . . . . 0.0 109.221 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.834 HD12 ' CE1' ' A' ' 55' ' ' PHE . 3.2 tt -115.69 127.11 54.91 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.503 1.127 . . . . 0.0 109.301 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.744 ' N ' HD23 ' A' ' 60' ' ' LEU . 0.2 OUTLIER -149.88 160.81 4.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.498 1.124 . . . . 0.0 109.3 -179.967 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . 0.518 ' HB ' ' CD1' ' A' ' 32' ' ' TRP . 61.6 p -112.11 152.31 28.42 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.529 1.143 . . . . 0.0 110.348 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . 0.425 HG23 HG23 ' A' ' 29' ' ' ILE . 2.3 t -123.63 142.29 40.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.461 1.101 . . . . 0.0 109.26 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . 0.443 ' HB3' HG22 ' A' ' 93' ' ' THR . . . -134.45 140.06 45.97 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.565 1.166 . . . . 0.0 109.351 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . 0.445 ' CB ' ' HB3' ' A' ' 68' ' ' PHE . 15.8 m -112.37 107.66 55.21 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.562 1.164 . . . . 0.0 109.961 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . 0.423 ' HB2' ' N ' ' A' ' 74' ' ' ASP . 18.3 Cg_endo -75.01 137.96 22.38 Favored 'Trans proline' 0 C--N 1.359 1.11 0 O-C-N 124.646 1.866 . . . . 0.0 110.993 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 66.76 8.21 46.39 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.59 1.181 . . . . 0.0 110.991 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . 0.647 ' CD2' HD13 ' A' ' 69' ' ' LEU . 8.6 t80 -121.08 138.72 54.05 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.528 0.781 . . . . 0.0 110.958 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.677 HD22 ' CE2' ' A' ' 108' ' ' TYR . 8.7 mp 68.56 20.11 8.48 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.529 1.143 . . . . 0.0 109.285 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER 70.28 37.54 1.58 Allowed 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.563 1.164 . . . . 0.0 109.514 179.902 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . 0.43 ' HA ' ' OE2' ' A' ' 71' ' ' GLU . 0.2 OUTLIER -103.85 149.89 24.64 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.429 1.081 . . . . 0.0 110.298 179.991 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . 0.419 ' C ' ' O ' ' A' ' 71' ' ' GLU . 3.3 mmtm -39.24 135.94 0.94 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.456 1.097 . . . . 0.0 109.337 179.889 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -63.79 166.26 7.42 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.51 1.132 . . . . 0.0 109.346 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' ASP . . . . . 0.423 ' N ' ' HB2' ' A' ' 66' ' ' PRO . 4.8 t70 -66.67 147.25 53.53 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.483 1.115 . . . . 0.0 109.326 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 88.83 -48.91 3.55 Favored Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.583 1.177 . . . . 0.0 111.015 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -76.01 -32.65 59.5 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.461 0.742 . . . . 0.0 109.29 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 57.6 t80 -72.05 -53.36 13.11 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.51 1.131 . . . . 0.0 111.082 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 16.6 pt20 -55.13 -32.99 62.51 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.477 1.111 . . . . 0.0 110.306 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.87 -39.3 72.96 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.5 1.125 . . . . 0.0 109.294 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 80' ' ' TRP . . . . . . . . . . . . . 39.7 t90 . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.593 1.183 . . . . 0.0 107.997 -179.962 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.301 0 N-CA-C 109.296 -0.631 . . . . 0.0 109.296 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . 0.403 ' HA ' ' HD3' ' A' ' 90' ' ' PRO . 0.1 OUTLIER -105.6 137.27 19.26 Favored Pre-proline 0 C--N 1.324 -0.525 0 O-C-N 124.573 1.171 . . . . 0.0 109.309 179.977 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 90' ' ' PRO . . . . . 0.448 ' CB ' HG22 ' A' ' 61' ' ' ILE . 18.5 Cg_endo -74.94 127.32 10.64 Favored 'Trans proline' 0 C--N 1.359 1.115 0 O-C-N 124.501 1.79 . . . . 0.0 111.088 179.853 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . 0.416 ' O ' ' HA ' ' A' ' 11' ' ' THR . 88.8 t -142.73 118.13 5.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.477 1.111 . . . . 0.0 109.389 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 43.4 t -109.65 136.92 44.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.477 1.111 . . . . 0.0 109.347 -179.906 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 93' ' ' THR . . . . . 0.443 HG22 ' HB3' ' A' ' 64' ' ' ALA . 2.3 p -124.78 118.59 26.74 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.42 1.075 . . . . 0.0 110.377 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 94' ' ' ASP . . . . . 0.42 ' OD2' HD12 ' A' ' 99' ' ' ILE . 56.2 t0 -114.71 112.1 22.32 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.575 1.172 . . . . 0.0 109.275 -179.903 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -54.77 115.21 2.04 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.477 1.11 . . . . 0.0 109.282 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 88.23 -22.11 21.07 Favored Glycine 0 CA--C 1.529 0.921 0 O-C-N 124.498 1.124 . . . . 0.0 111.031 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 73.19 61.72 3.35 Favored Glycine 0 CA--C 1.531 1.034 0 N-CA-C 110.916 -0.874 . . . . 0.0 110.916 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 98' ' ' THR . . . . . 0.514 ' O ' ' CB ' ' A' ' 102' ' ' SER . 1.4 m -58.19 -37.53 74.93 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.526 0.78 . . . . 0.0 110.373 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 99' ' ' ILE . . . . . 0.539 ' O ' HD12 ' A' ' 103' ' ' LEU . 2.4 mt -72.9 -30.26 31.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.593 1.183 . . . . 0.0 109.343 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -76.62 -49.26 16.7 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.43 1.082 . . . . 0.0 109.295 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 5.6 pt20 -70.31 -29.06 65.69 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.475 1.109 . . . . 0.0 110.276 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 102' ' ' SER . . . . . 0.514 ' CB ' ' O ' ' A' ' 98' ' ' THR . 12.6 t -67.81 -34.61 77.09 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.599 1.187 . . . . 0.0 110.104 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . 0.539 HD12 ' O ' ' A' ' 99' ' ' ILE . 2.6 mt -107.7 9.9 29.04 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.501 1.125 . . . . 0.0 109.314 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 15.9 t-20 50.28 68.57 0.74 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.4 1.062 . . . . 0.0 109.258 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 105' ' ' ILE . . . . . 0.614 HD11 HD11 ' A' ' 123' ' ' ILE . 48.9 mt -112.49 106.44 20.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.446 1.091 . . . . 0.0 109.311 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 106' ' ' SER . . . . . 0.571 ' HA ' HD21 ' A' ' 69' ' ' LEU . 11.5 p -131.17 34.16 4.05 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.554 1.159 . . . . 0.0 110.062 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 2.4 p -145.83 132.91 14.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.428 1.08 . . . . 0.0 109.325 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 108' ' ' TYR . . . . . 0.677 ' CE2' HD22 ' A' ' 69' ' ' LEU . 21.9 m-30 -130.52 152.67 80.76 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.552 1.158 . . . . 0.0 110.957 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 109' ' ' PRO . . . . . 0.535 ' C ' ' HA ' ' A' ' 108' ' ' TYR . 18.2 Cg_endo -75.05 166.89 82.05 Favored 'Cis proline' 0 C--N 1.361 1.22 0 C-N-CA 121.04 -2.483 . . . . 0.0 111.02 0.015 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 1.4 m -145.51 155.79 43.31 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.483 1.114 . . . . 0.0 109.984 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 111' ' ' TRP . . . . . 0.534 ' CE3' HD21 ' A' ' 28' ' ' LEU . 88.6 m95 -129.28 142.1 50.93 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 107.991 -1.114 . . . . 0.0 107.991 -179.949 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 112' ' ' ALA . . . . . 0.77 ' HB3' ' HB ' ' A' ' 29' ' ' ILE . . . -127.29 138.58 53.09 Favored 'General case' 0 C--N 1.323 -0.557 0 O-C-N 124.592 1.182 . . . . 0.0 109.355 179.909 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 22.3 tp -109.1 127.61 54.29 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.527 1.142 . . . . 0.0 109.3 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 114' ' ' ILE . . . . . 0.595 HD13 ' HA ' ' A' ' 120' ' ' VAL . 43.1 mm -119.78 115.76 48.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 O-C-N 124.555 1.16 . . . . 0.0 109.285 -179.956 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -43.54 167.49 0.02 OUTLIER Glycine 0 CA--C 1.529 0.946 0 O-C-N 124.445 1.091 . . . . 0.0 111.037 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 6.8 pttt -69.43 -13.64 62.47 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.487 0.757 . . . . 0.0 109.295 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -87.3 -21.65 25.62 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.547 1.154 . . . . 0.0 109.322 179.946 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . 103.2 25.02 7.63 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.508 1.13 . . . . 0.0 111.087 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 4.7 p-10 -112.21 152.61 28.19 Favored 'General case' 0 C--N 1.327 -0.394 0 O-C-N 124.492 0.76 . . . . 0.0 109.272 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 120' ' ' VAL . . . . . 0.595 ' HA ' HD13 ' A' ' 114' ' ' ILE . 55.9 t -58.13 113.18 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.554 1.159 . . . . 0.0 109.299 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 3.2 mt-30 -86.49 -57.6 2.94 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.446 1.091 . . . . 0.0 110.341 179.931 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 2.1 ttt180 -158.22 158.16 33.98 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.537 1.148 . . . . 0.0 110.187 -179.935 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 123' ' ' ILE . . . . . 0.614 HD11 HD11 ' A' ' 105' ' ' ILE . 1.0 OUTLIER -115.01 135.38 55.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.491 1.119 . . . . 0.0 109.302 179.914 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 62.7 t -129.69 131.66 66.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.516 1.135 . . . . 0.0 109.368 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 14.9 ptmt -114.19 135.43 54.06 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.642 1.213 . . . . 0.0 109.226 -179.923 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . 123.55 -134.14 9.23 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.493 1.121 . . . . 0.0 110.948 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -152.84 153.78 33.79 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.458 0.74 . . . . 0.0 109.951 -179.93 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 128' ' ' ILE . . . . . . . . . . . . . 5.3 pt -129.63 163.52 34.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.602 1.189 . . . . 0.0 109.317 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 129' ' ' ASN . . . . . . . . . . . . . 3.1 p30 -108.58 167.97 9.66 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.573 1.171 . . . . 0.0 109.242 -179.942 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 130' ' ' GLU . . . . . 0.522 ' HB2' ' CE2' ' A' ' 49' ' ' TRP . 16.5 tt0 -50.7 -38.19 45.63 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.572 1.17 . . . . 0.0 110.279 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -57.73 -51.86 67.84 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.505 1.128 . . . . 0.0 109.293 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -51.82 -45.44 63.93 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.507 1.129 . . . . 0.0 110.275 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 133' ' ' ALA . . . . . 0.44 ' HB1' ' CZ ' ' A' ' 55' ' ' PHE . . . -64.59 -35.79 82.13 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.597 1.186 . . . . 0.0 109.291 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 2.8 mt . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.415 1.072 . . . . 0.0 109.319 179.933 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.645 HD11 ' CB ' ' A' ' 94' ' ' ASP . 3.3 mm? . . . . . 0 N--CA 1.453 -0.296 0 N-CA-C 109.206 -0.664 . . . . 0.0 109.206 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 3.7 mmmt -101.14 149.89 23.51 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.564 1.165 . . . . 0.0 109.329 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . 0.472 ' HG1' ' HB2' ' A' ' 15' ' ' ARG . 33.4 p -80.85 172.53 13.63 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.541 1.151 . . . . 0.0 110.412 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -70.73 -6.61 38.72 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.467 1.104 . . . . 0.0 109.276 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -99.56 16.55 22.98 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.479 1.112 . . . . 0.0 109.311 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER 56.76 40.74 28.93 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.494 1.121 . . . . 0.0 109.284 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . 0.472 ' HB2' ' HG1' ' A' ' 11' ' ' THR . 12.2 mmt180 -120.23 151.9 53.93 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.485 1.116 . . . . 0.0 110.301 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . 0.509 ' HG2' HG23 ' A' ' 19' ' ' VAL . 18.3 Cg_endo -75.07 121.7 6.71 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.473 1.776 . . . . 0.0 110.95 -179.942 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . 0.42 ' HB2' ' O ' ' A' ' 9' ' ' LEU . . . -53.44 -27.94 27.46 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.509 1.13 . . . . 0.0 109.276 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -55.43 -18.76 7.55 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.551 1.157 . . . . 0.0 110.015 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.509 HG23 ' HG2' ' A' ' 16' ' ' PRO . 40.8 t -69.6 -25.01 27.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.533 1.145 . . . . 0.0 109.183 -179.903 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 9.9 m-85 -109.9 23.71 14.01 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.492 1.12 . . . . 0.0 110.919 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.518 ' CG ' HG21 ' A' ' 27' ' ' THR . 0.2 OUTLIER -142.78 119.78 11.35 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.517 1.136 . . . . 0.0 109.339 179.948 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . 0.495 ' CG ' ' O ' ' A' ' 21' ' ' LEU . 0.0 OUTLIER 163.95 -172.42 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.402 1.064 . . . . 0.0 109.355 -179.945 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.406 ' O ' ' C ' ' A' ' 24' ' ' ASP . 0.0 OUTLIER 65.63 27.26 11.45 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.545 1.153 . . . . 0.0 109.297 -179.985 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . 0.406 ' C ' ' O ' ' A' ' 23' ' ' LYS . 23.7 m-20 40.16 39.23 0.61 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.431 1.082 . . . . 0.0 109.293 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.415 ' CE ' ' O ' ' A' ' 57' ' ' SER . 6.4 mttp -103.57 162.25 20.58 Favored Pre-proline 0 C--N 1.323 -0.555 0 O-C-N 124.539 1.149 . . . . 0.0 109.343 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.7 Cg_endo -74.97 146.58 32.94 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.464 1.771 . . . . 0.0 111.057 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . 0.621 HG23 ' HB2' ' A' ' 59' ' ' ASN . 3.4 m -120.97 133.26 55.27 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.564 1.165 . . . . 0.0 110.434 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.747 HD21 ' CE3' ' A' ' 111' ' ' TRP . 8.6 tt -110.98 142.92 42.47 Favored 'General case' 0 C--N 1.323 -0.565 0 O-C-N 124.455 1.097 . . . . 0.0 109.337 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.514 ' HB ' ' HB3' ' A' ' 112' ' ' ALA . 4.0 mm -118.39 147.44 21.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.504 1.127 . . . . 0.0 109.27 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.524 ' HG3' ' CD2' ' A' ' 111' ' ' TRP . 0.0 OUTLIER -138.87 113.35 8.93 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.5 1.125 . . . . 0.0 109.365 -179.971 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . 0.564 ' HB3' ' CE1' ' A' ' 108' ' ' TYR . 35.7 m-85 -90.18 126.44 35.81 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.444 1.09 . . . . 0.0 110.956 -179.933 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' TRP . . . . . 0.857 ' CZ3' HD11 ' A' ' 43' ' ' LEU . 5.7 p-90 -132.42 166.6 21.63 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.577 1.173 . . . . 0.0 108.022 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -133.73 156.02 48.7 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.421 1.076 . . . . 0.0 109.302 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . 0.55 ' OG ' ' CH2' ' A' ' 80' ' ' TRP . 6.3 t -78.68 -24.79 44.87 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.5 1.125 . . . . 0.0 110.027 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 20.1 p-90 -81.31 -6.86 59.35 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.474 1.109 . . . . 0.0 108.016 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 48.3 t -97.45 110.6 55.42 Favored Pre-proline 0 C--N 1.326 -0.428 0 O-C-N 124.458 1.099 . . . . 0.0 108.307 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.09 -37.46 1.98 Allowed 'Trans proline' 0 C--N 1.359 1.094 0 O-C-N 124.534 1.808 . . . . 0.0 110.996 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.492 HD23 ' O ' ' A' ' 38' ' ' LEU . 1.7 tt -62.41 -27.99 69.47 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 0.0 109.267 179.926 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 19.5 m -78.44 -50.13 12.22 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.527 1.142 . . . . 0.0 108.293 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.622 ' HA ' HD12 ' A' ' 43' ' ' LEU . 13.2 mt -51.81 -46.89 64.45 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.471 1.107 . . . . 0.0 109.189 -179.895 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 10.5 p -69.34 -25.4 64.18 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.595 1.184 . . . . 0.0 109.974 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -80.8 -24.96 38.17 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.434 1.084 . . . . 0.0 110.302 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.857 HD11 ' CZ3' ' A' ' 32' ' ' TRP . 78.7 mt -49.2 -52.79 24.67 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.555 1.159 . . . . 0.0 109.28 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -52.6 -49.22 53.73 Favored Glycine 0 CA--C 1.529 0.915 0 O-C-N 124.53 1.143 . . . . 0.0 111.007 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . 0.492 ' HG2' ' CZ2' ' A' ' 49' ' ' TRP . 1.2 tt0 -63.84 -36.42 83.86 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.429 0.723 . . . . 0.0 110.258 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 8.3 m -67.72 -30.18 69.61 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.415 1.072 . . . . 0.0 110.397 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . 0.401 ' OE2' ' C ' ' A' ' 88' ' ' LYS . 22.2 tt0 -67.42 -36.93 82.23 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.377 1.048 . . . . 0.0 110.216 -179.897 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 3.6 tttt -78.51 -30.15 47.01 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.496 1.123 . . . . 0.0 109.227 -179.913 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' TRP . . . . . 0.492 ' CZ2' ' HG2' ' A' ' 45' ' ' GLN . 46.6 m0 -77.47 -30.16 53.04 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.494 1.121 . . . . 0.0 108.03 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -76.59 -15.86 59.73 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.571 1.169 . . . . 0.0 109.273 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -112.53 5.72 18.1 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.553 1.158 . . . . 0.0 110.286 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . 0.408 ' O ' ' N ' ' A' ' 56' ' ' SER . 1.4 t0 -75.09 129.12 37.04 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.526 1.141 . . . . 0.0 109.274 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -51.3 -50.71 58.82 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.582 1.176 . . . . 0.0 109.291 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -49.73 -43.41 47.79 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.507 1.129 . . . . 0.0 109.343 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . 0.745 ' CZ ' ' HB1' ' A' ' 133' ' ' ALA . 0.1 OUTLIER -77.0 -27.84 54.81 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.515 1.135 . . . . 0.0 111.006 179.981 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . 0.408 ' N ' ' O ' ' A' ' 52' ' ' ASP . 9.5 t -46.43 -36.94 7.04 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.374 1.047 . . . . 0.0 110.006 179.928 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . 0.415 ' O ' ' CE ' ' A' ' 25' ' ' LYS . 12.5 t -39.04 -54.4 1.7 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.476 1.11 . . . . 0.0 110.055 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -108.71 165.26 11.68 Favored 'General case' 0 N--CA 1.451 -0.422 0 O-C-N 124.352 1.032 . . . . 0.0 109.329 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . 0.621 ' HB2' HG23 ' A' ' 27' ' ' THR . 18.6 m-20 -89.42 122.7 32.87 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.426 1.079 . . . . 0.0 109.39 179.93 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.745 ' C ' HD23 ' A' ' 60' ' ' LEU . 2.8 tt -113.05 133.15 55.11 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.436 1.085 . . . . 0.0 109.301 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.895 HD12 HG21 ' A' ' 92' ' ' VAL . 15.0 pt -151.51 160.66 3.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.526 1.141 . . . . 0.0 109.349 179.943 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . 0.453 ' O ' ' N ' ' A' ' 92' ' ' VAL . 47.3 p -112.75 147.83 36.03 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.505 1.128 . . . . 0.0 110.374 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 2.2 t -118.17 144.25 26.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.451 1.094 . . . . 0.0 109.337 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . 0.488 ' HB3' HG22 ' A' ' 93' ' ' THR . . . -134.38 142.36 47.16 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.402 1.064 . . . . 0.0 109.393 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . 0.466 ' CB ' ' HB3' ' A' ' 68' ' ' PHE . 19.9 m -119.36 108.62 39.65 Favored Pre-proline 0 C--N 1.324 -0.518 0 O-C-N 124.47 1.106 . . . . 0.0 109.961 -179.939 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . 0.457 ' HA ' ' O ' ' A' ' 72' ' ' LYS . 18.4 Cg_endo -75.04 137.12 21.2 Favored 'Trans proline' 0 C--N 1.359 1.111 0 O-C-N 124.559 1.82 . . . . 0.0 110.955 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 68.19 8.53 54.88 Favored Glycine 0 CA--C 1.532 1.127 0 O-C-N 124.489 1.118 . . . . 0.0 110.952 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . 0.466 ' HB3' ' CB ' ' A' ' 65' ' ' SER . 52.3 t80 -118.95 132.13 56.06 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.572 0.807 . . . . 0.0 111.017 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.428 HD23 ' CE2' ' A' ' 68' ' ' PHE . 0.6 OUTLIER 69.99 41.98 1.06 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.508 1.13 . . . . 0.0 109.234 179.957 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 51.2 m80 62.35 19.6 11.2 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.435 1.084 . . . . 0.0 109.538 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 29.3 tp10 -82.89 161.35 21.91 Favored 'General case' 0 C--N 1.323 -0.545 0 O-C-N 124.558 1.162 . . . . 0.0 110.32 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . 0.457 ' O ' ' HA ' ' A' ' 66' ' ' PRO . 0.0 OUTLIER -61.9 140.56 58.29 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.542 1.151 . . . . 0.0 109.249 -179.967 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 44.7 tttt -64.78 160.79 19.41 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.54 1.15 . . . . 0.0 109.281 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' ASP . . . . . 0.421 ' N ' ' HB2' ' A' ' 66' ' ' PRO . 0.0 OUTLIER -59.85 146.03 43.47 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.507 1.129 . . . . 0.0 109.229 -179.987 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 87.79 -36.12 3.41 Favored Glycine 0 CA--C 1.529 0.917 0 O-C-N 124.533 1.146 . . . . 0.0 111.014 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -76.23 -58.45 3.28 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.462 0.742 . . . . 0.0 109.281 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 8.7 t80 -57.31 -30.23 64.58 Favored 'General case' 0 C--N 1.323 -0.558 0 O-C-N 124.434 1.084 . . . . 0.0 110.952 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 9.2 mt-30 -74.1 -29.93 62.09 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.495 1.122 . . . . 0.0 110.324 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.04 -30.3 39.4 Favored 'General case' 0 C--N 1.323 -0.549 0 O-C-N 124.432 1.082 . . . . 0.0 109.294 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 80' ' ' TRP . . . . . 0.587 ' HH2' HD21 ' A' ' 40' ' ' LEU . 15.2 t90 . . . . . 0 C--N 1.325 -0.463 0 O-C-N 124.54 1.15 . . . . 0.0 108.054 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . 0.401 ' C ' ' OE2' ' A' ' 47' ' ' GLU . 0.8 OUTLIER . . . . . 0 N--CA 1.452 -0.337 0 N-CA-C 109.253 -0.647 . . . . 0.0 109.253 . . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . 0.913 HD12 ' HD2' ' A' ' 90' ' ' PRO . 0.1 OUTLIER -136.97 136.01 20.62 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.421 1.076 . . . . 0.0 109.338 179.969 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 90' ' ' PRO . . . . . 0.913 ' HD2' HD12 ' A' ' 89' ' ' LEU . 18.2 Cg_endo -75.05 126.15 9.75 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.605 1.845 . . . . 0.0 111.003 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . 0.408 ' O ' ' HA ' ' A' ' 11' ' ' THR . 38.3 t -135.04 120.73 30.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.489 1.118 . . . . 0.0 109.307 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . 0.895 HG21 HD12 ' A' ' 61' ' ' ILE . 11.6 t -117.64 137.08 52.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.518 1.137 . . . . 0.0 109.327 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 93' ' ' THR . . . . . 0.488 HG22 ' HB3' ' A' ' 64' ' ' ALA . 10.9 p -121.11 121.76 38.56 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.483 1.114 . . . . 0.0 110.434 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 94' ' ' ASP . . . . . 0.645 ' CB ' HD11 ' A' ' 9' ' ' LEU . 61.8 t0 -114.92 111.18 20.76 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.438 1.086 . . . . 0.0 109.343 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 14.0 t-20 -60.79 111.93 1.83 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.507 1.129 . . . . 0.0 109.307 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . 0.415 ' O ' ' NE2' ' A' ' 101' ' ' GLN . . . 88.82 -23.61 16.28 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.4 1.063 . . . . 0.0 111.042 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 70.32 73.66 0.75 Allowed Glycine 0 CA--C 1.53 1.013 0 N-CA-C 110.966 -0.854 . . . . 0.0 110.966 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 5.2 m -63.5 -48.44 77.61 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.518 0.775 . . . . 0.0 110.44 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 3.9 mt -68.79 -38.91 79.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.497 1.123 . . . . 0.0 109.276 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 100' ' ' ALA . . . . . 0.413 ' O ' ' N ' ' A' ' 105' ' ' ILE . . . -61.92 -47.88 82.95 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.495 1.122 . . . . 0.0 109.284 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 101' ' ' GLN . . . . . 0.415 ' NE2' ' O ' ' A' ' 96' ' ' GLY . 65.7 mt-30 -74.46 -31.52 62.28 Favored 'General case' 0 C--N 1.323 -0.552 0 O-C-N 124.53 1.143 . . . . 0.0 110.328 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 42.4 t -66.74 -29.19 69.1 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.501 1.125 . . . . 0.0 109.998 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . 0.574 HD11 HG21 ' A' ' 120' ' ' VAL . 23.6 mt -108.66 8.77 27.14 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.493 1.12 . . . . 0.0 109.338 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 14.6 t-20 50.27 68.31 0.78 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.522 1.139 . . . . 0.0 109.254 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 105' ' ' ILE . . . . . 0.461 ' CD1' ' CZ ' ' A' ' 31' ' ' PHE . 37.7 mt -111.24 100.03 9.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.513 1.133 . . . . 0.0 109.238 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 25.2 p -125.85 34.06 4.96 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.507 1.13 . . . . 0.0 110.031 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 1.5 p -145.3 132.22 15.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.524 1.14 . . . . 0.0 109.317 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 108' ' ' TYR . . . . . 0.564 ' CE1' ' HB3' ' A' ' 31' ' ' PHE . 22.9 m-85 -131.1 152.55 80.85 Favored Pre-proline 0 C--N 1.324 -0.515 0 O-C-N 124.504 1.128 . . . . 0.0 111.033 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 109' ' ' PRO . . . . . 0.524 ' C ' ' HA ' ' A' ' 108' ' ' TYR . 18.1 Cg_endo -75.0 160.37 96.65 Favored 'Cis proline' 0 C--N 1.359 1.126 0 C-N-CA 120.942 -2.524 . . . . 0.0 110.964 0.002 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -134.67 155.79 49.9 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.56 1.163 . . . . 0.0 109.975 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 111' ' ' TRP . . . . . 0.747 ' CE3' HD21 ' A' ' 28' ' ' LEU . 39.1 m95 -134.27 138.75 45.24 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 107.962 -1.125 . . . . 0.0 107.962 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 112' ' ' ALA . . . . . 0.514 ' HB3' ' HB ' ' A' ' 29' ' ' ILE . . . -133.06 137.55 46.45 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.552 1.157 . . . . 0.0 109.324 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 113' ' ' LEU . . . . . 0.577 ' C ' HD12 ' A' ' 114' ' ' ILE . 27.2 tp -109.49 122.83 48.28 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.436 1.085 . . . . 0.0 109.285 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 114' ' ' ILE . . . . . 0.577 HD12 ' C ' ' A' ' 113' ' ' LEU . 1.1 mp -107.78 123.43 63.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.514 1.134 . . . . 0.0 109.277 -179.936 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 115' ' ' GLY . . . . . 0.406 ' N ' ' HB2' ' A' ' 121' ' ' GLN . . . -47.41 171.6 0.04 OUTLIER Glycine 0 CA--C 1.529 0.93 0 O-C-N 124.577 1.173 . . . . 0.0 111.078 179.897 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.64 -15.3 63.17 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.452 0.736 . . . . 0.0 109.293 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -82.26 -19.89 38.67 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.513 1.133 . . . . 0.0 109.272 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 118' ' ' GLY . . . . . 0.42 ' HA2' ' CG2' ' A' ' 114' ' ' ILE . . . 98.76 23.75 11.58 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.463 1.102 . . . . 0.0 110.926 179.945 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 1.2 p-10 -115.99 153.19 32.09 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.435 0.726 . . . . 0.0 109.252 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 120' ' ' VAL . . . . . 0.574 HG21 HD11 ' A' ' 103' ' ' LEU . 75.6 t -56.26 114.6 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.445 1.091 . . . . 0.0 109.304 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 121' ' ' GLN . . . . . 0.406 ' HB2' ' N ' ' A' ' 115' ' ' GLY . 15.0 tt0 -94.81 -52.7 4.15 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.544 1.153 . . . . 0.0 110.239 -179.927 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -152.39 141.09 20.91 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.497 1.123 . . . . 0.0 110.232 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 123' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -105.26 139.84 25.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.542 1.151 . . . . 0.0 109.328 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 71.4 t -125.49 135.31 64.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 O-C-N 124.507 1.13 . . . . 0.0 109.199 -179.928 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -116.74 128.05 54.96 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.618 1.199 . . . . 0.0 109.311 179.894 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . 105.13 155.23 22.51 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.576 1.173 . . . . 0.0 110.991 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 127' ' ' SER . . . . . 0.46 ' CB ' ' HG2' ' A' ' 109' ' ' PRO . 0.2 OUTLIER -68.7 159.2 32.63 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.493 0.761 . . . . 0.0 110.025 179.976 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 128' ' ' ILE . . . . . 0.792 HG22 ' NE2' ' A' ' 132' ' ' GLN . 10.7 pt -135.2 168.07 24.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.538 1.149 . . . . 0.0 109.279 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 129' ' ' ASN . . . . . . . . . . . . . 2.0 p30 -106.4 167.32 9.92 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.562 1.163 . . . . 0.0 109.346 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 16.2 tt0 -52.32 -37.29 55.46 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.425 1.078 . . . . 0.0 110.236 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -62.29 -49.93 73.72 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.518 1.136 . . . . 0.0 109.413 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 132' ' ' GLN . . . . . 0.792 ' NE2' HG22 ' A' ' 128' ' ' ILE . 18.5 mt-30 -51.45 -42.48 61.6 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.504 1.127 . . . . 0.0 110.286 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 133' ' ' ALA . . . . . 0.745 ' HB1' ' CZ ' ' A' ' 55' ' ' PHE . . . -56.17 -39.76 72.86 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.497 1.123 . . . . 0.0 109.31 179.917 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 12.4 mt . . . . . 0 C--N 1.324 -0.508 0 O-C-N 124.448 1.093 . . . . 0.0 109.284 179.971 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.967 HD11 ' CD1' ' A' ' 99' ' ' ILE . 62.5 mt . . . . . 0 N--CA 1.453 -0.306 0 N-CA-C 109.228 -0.656 . . . . 0.0 109.228 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . 0.408 ' HA ' ' O ' ' A' ' 15' ' ' ARG . 59.9 mttt -142.09 154.65 45.08 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.519 1.137 . . . . 0.0 109.342 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 41.5 p -91.9 175.16 6.98 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.476 1.11 . . . . 0.0 110.462 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -70.98 -7.54 46.89 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.551 1.157 . . . . 0.0 109.292 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -104.06 24.83 10.78 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.489 1.118 . . . . 0.0 109.326 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER 47.44 57.27 6.01 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.472 1.107 . . . . 0.0 109.259 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . 0.408 ' O ' ' HA ' ' A' ' 10' ' ' LYS . 0.6 OUTLIER -133.34 153.41 80.54 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.458 1.099 . . . . 0.0 110.309 179.97 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 126.93 10.31 Favored 'Trans proline' 0 C--N 1.361 1.184 0 O-C-N 124.52 1.8 . . . . 0.0 110.97 -179.894 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -58.9 -29.02 66.74 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.453 1.095 . . . . 0.0 109.279 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 23.3 t -50.56 -22.33 1.93 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.521 1.138 . . . . 0.0 109.954 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 6.2 t -61.82 -26.41 39.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.563 1.164 . . . . 0.0 109.316 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 15.1 m-85 -105.86 21.57 17.07 Favored 'General case' 0 C--N 1.327 -0.409 0 O-C-N 124.481 1.113 . . . . 0.0 110.961 -179.936 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -137.49 101.43 4.5 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.508 1.13 . . . . 0.0 109.315 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 174.18 -165.19 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.567 1.167 . . . . 0.0 109.294 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.41 ' O ' ' C ' ' A' ' 24' ' ' ASP . 0.0 OUTLIER 61.04 23.19 13.39 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.445 1.091 . . . . 0.0 109.288 179.945 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . 0.41 ' C ' ' O ' ' A' ' 23' ' ' LYS . 5.4 m-20 39.57 38.84 0.44 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.508 1.13 . . . . 0.0 109.293 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -109.35 161.08 25.29 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.434 1.084 . . . . 0.0 109.265 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.98 146.31 32.59 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.45 1.763 . . . . 0.0 110.971 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 98.3 m -118.15 142.24 47.65 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.4 1.062 . . . . 0.0 110.426 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.558 HD13 HD13 ' A' ' 113' ' ' LEU . 13.7 tp -123.71 124.13 42.06 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.529 1.143 . . . . 0.0 109.328 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.409 ' O ' ' HA ' ' A' ' 111' ' ' TRP . 3.0 mt -109.67 148.01 13.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.566 1.166 . . . . 0.0 109.263 -179.936 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.572 ' HB2' ' CE3' ' A' ' 111' ' ' TRP . 0.9 OUTLIER -139.09 113.91 9.26 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.564 1.165 . . . . 0.0 109.302 179.972 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . 0.604 ' CE1' ' CD1' ' A' ' 105' ' ' ILE . 47.5 m-85 -83.38 142.04 31.31 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.524 1.14 . . . . 0.0 111.007 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' TRP . . . . . 0.644 ' CH2' HD23 ' A' ' 43' ' ' LEU . 0.4 OUTLIER -162.34 150.6 14.58 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 107.991 -1.114 . . . . 0.0 107.991 179.965 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . 0.582 ' HB1' ' OE2' ' A' ' 71' ' ' GLU . . . -105.99 156.67 18.16 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.442 1.089 . . . . 0.0 109.279 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . 0.569 ' HB3' ' CZ3' ' A' ' 80' ' ' TRP . 0.6 OUTLIER -76.07 -32.6 59.35 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.544 1.153 . . . . 0.0 110.032 179.985 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 33.8 p-90 -69.32 -13.61 62.47 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.556 1.16 . . . . 0.0 107.972 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 49.2 t -82.14 120.8 78.05 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.536 1.147 . . . . 0.0 108.255 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.95 -53.99 0.09 OUTLIER 'Trans proline' 0 C--N 1.361 1.205 0 O-C-N 124.553 1.818 . . . . 0.0 111.06 179.909 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 5.4 tt -47.93 -32.81 6.82 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.49 1.119 . . . . 0.0 109.354 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 97.5 m -78.76 -43.29 25.92 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.526 1.141 . . . . 0.0 108.265 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.503 HD23 HD11 ' A' ' 43' ' ' LEU . 17.2 mt -52.16 -56.12 16.61 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.48 1.112 . . . . 0.0 109.353 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 24.5 p -57.81 -24.1 55.73 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.566 1.166 . . . . 0.0 109.983 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -76.52 -13.09 60.11 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.452 1.095 . . . . 0.0 110.312 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.644 HD23 ' CH2' ' A' ' 32' ' ' TRP . 24.1 mt -46.39 -49.0 18.55 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.549 1.156 . . . . 0.0 109.227 -179.934 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -77.44 -42.7 17.53 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.512 1.133 . . . . 0.0 110.948 -179.919 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 13.4 tt0 -56.82 -35.92 69.34 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.506 0.768 . . . . 0.0 110.298 -179.931 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 89.6 m -74.01 -40.73 62.72 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.479 1.112 . . . . 0.0 110.437 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . 0.426 ' CG ' ' HB2' ' A' ' 89' ' ' LEU . 0.0 OUTLIER -55.22 -38.1 68.01 Favored 'General case' 0 C--N 1.327 -0.398 0 O-C-N 124.479 1.112 . . . . 0.0 110.301 179.948 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . 0.409 ' HG3' ' N ' ' A' ' 49' ' ' TRP . 10.9 ptmt -78.27 -38.23 43.21 Favored 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.605 1.191 . . . . 0.0 109.315 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' TRP . . . . . 0.461 ' O ' ' CD2' ' A' ' 55' ' ' PHE . 34.5 m0 -64.55 -33.98 77.17 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.461 1.101 . . . . 0.0 108.042 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -79.37 -8.79 59.35 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.534 1.146 . . . . 0.0 109.334 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 1.3 mm-40 -102.54 -10.13 19.58 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.441 1.088 . . . . 0.0 110.267 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.6 t0 -65.01 132.05 48.22 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.5 1.125 . . . . 0.0 109.284 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -59.25 -50.92 72.15 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.445 1.091 . . . . 0.0 109.286 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . 0.702 ' HG2' HD22 ' A' ' 134' ' ' LEU . 0.0 OUTLIER -48.5 -36.79 15.92 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.453 1.095 . . . . 0.0 109.234 -179.979 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . 0.81 ' CE1' HD12 ' A' ' 60' ' ' LEU . 0.2 OUTLIER -77.02 -30.49 55.84 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.488 1.118 . . . . 0.0 110.994 179.994 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . 0.402 ' O ' ' C ' ' A' ' 57' ' ' SER . 1.4 t -46.04 -42.61 13.59 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.615 1.197 . . . . 0.0 110.047 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . 0.402 ' C ' ' O ' ' A' ' 56' ' ' SER . 1.3 t -38.45 -58.42 1.02 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.423 1.077 . . . . 0.0 110.046 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . 0.427 ' O ' ' O ' ' A' ' 55' ' ' PHE . . . -103.3 166.53 10.37 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.39 1.056 . . . . 0.0 109.229 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 86.2 m-20 -88.8 136.35 33.05 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.439 1.087 . . . . 0.0 109.306 179.93 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.81 HD12 ' CE1' ' A' ' 55' ' ' PHE . 4.2 tt -124.54 126.37 45.72 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.504 1.128 . . . . 0.0 109.305 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.728 ' N ' HD23 ' A' ' 60' ' ' LEU . 12.1 pt -152.38 160.3 3.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.533 1.146 . . . . 0.0 109.293 179.943 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . 0.421 ' HA ' ' O ' ' A' ' 30' ' ' LYS . 28.1 p -109.74 158.08 18.48 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.472 1.108 . . . . 0.0 110.389 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 3.6 t -122.87 142.28 40.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 O-C-N 124.5 1.125 . . . . 0.0 109.276 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . 0.45 ' N ' ' O ' ' A' ' 92' ' ' VAL . . . -134.66 125.52 27.28 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.578 1.174 . . . . 0.0 109.248 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . 0.468 ' CB ' ' HB3' ' A' ' 68' ' ' PHE . 8.3 m -101.75 107.66 52.77 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.542 1.151 . . . . 0.0 110.013 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . 0.437 ' HA ' ' O ' ' A' ' 72' ' ' LYS . 18.3 Cg_endo -75.01 135.53 19.18 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.529 1.805 . . . . 0.0 110.955 -179.944 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 67.46 12.45 61.32 Favored Glycine 0 CA--C 1.531 1.078 0 O-C-N 124.5 1.125 . . . . 0.0 111.065 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . 0.613 ' CE2' HD23 ' A' ' 69' ' ' LEU . 72.4 t80 -125.23 137.79 54.11 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.59 0.818 . . . . 0.0 110.998 179.939 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.613 HD23 ' CE2' ' A' ' 68' ' ' PHE . 0.3 OUTLIER 63.45 48.6 3.43 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.455 1.097 . . . . 0.0 109.318 179.958 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 65.4 m170 51.09 33.79 9.83 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.575 1.172 . . . . 0.0 109.57 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . 0.582 ' OE2' ' HB1' ' A' ' 33' ' ' ALA . 21.5 tp10 -97.74 156.36 16.6 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.558 1.161 . . . . 0.0 110.309 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . 0.437 ' O ' ' HA ' ' A' ' 66' ' ' PRO . 0.2 OUTLIER -60.69 138.97 58.02 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.494 1.121 . . . . 0.0 109.319 -179.967 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 10.7 mttt -62.35 165.64 5.82 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.425 1.078 . . . . 0.0 109.383 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' ASP . . . . . 0.412 ' N ' ' HB2' ' A' ' 66' ' ' PRO . 0.6 OUTLIER -63.29 151.81 39.58 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.441 1.088 . . . . 0.0 109.368 179.997 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 83.9 -52.62 4.75 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.56 1.163 . . . . 0.0 111.045 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -73.82 -29.94 62.43 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.364 0.684 . . . . 0.0 109.193 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' PHE . . . . . 0.44 ' CZ ' ' HB1' ' A' ' 64' ' ' ALA . 10.4 t80 -77.63 -57.13 3.98 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.459 1.099 . . . . 0.0 110.988 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 15.4 pt20 -51.95 -28.17 15.67 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.56 1.163 . . . . 0.0 110.299 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -71.61 -48.34 48.69 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.519 1.137 . . . . 0.0 109.328 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 80' ' ' TRP . . . . . 0.569 ' CZ3' ' HB3' ' A' ' 34' ' ' SER . 5.4 t90 . . . . . 0 C--N 1.324 -0.506 0 O-C-N 124.472 1.107 . . . . 0.0 108.045 179.909 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.285 0 N-CA-C 109.243 -0.651 . . . . 0.0 109.243 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . 0.63 HD12 ' HD2' ' A' ' 90' ' ' PRO . 0.2 OUTLIER -95.63 140.54 22.38 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.504 1.128 . . . . 0.0 109.326 179.952 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 90' ' ' PRO . . . . . 0.63 ' HD2' HD12 ' A' ' 89' ' ' LEU . 18.4 Cg_endo -74.95 127.33 10.63 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.528 1.804 . . . . 0.0 110.976 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 54.9 t -138.54 120.05 16.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.543 1.152 . . . . 0.0 109.195 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . 0.522 HG21 HD12 ' A' ' 61' ' ' ILE . 39.8 t -114.47 130.81 68.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.413 1.071 . . . . 0.0 109.219 -179.922 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 2.4 p -112.9 116.76 30.51 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.505 1.128 . . . . 0.0 110.399 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 63.4 t0 -114.85 111.25 20.91 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.582 1.176 . . . . 0.0 109.317 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -58.87 115.11 2.89 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.515 1.135 . . . . 0.0 109.321 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 85.15 -14.74 48.16 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.505 1.128 . . . . 0.0 110.994 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 59.93 67.4 2.18 Favored Glycine 0 CA--C 1.531 1.053 0 N-CA-C 110.961 -0.855 . . . . 0.0 110.961 -179.934 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 98' ' ' THR . . . . . 0.422 ' O ' ' N ' ' A' ' 102' ' ' SER . 1.3 m -53.59 -43.17 68.37 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.5 0.765 . . . . 0.0 110.394 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 99' ' ' ILE . . . . . 0.967 ' CD1' HD11 ' A' ' 9' ' ' LEU . 3.5 mt -70.14 -44.73 77.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.524 1.14 . . . . 0.0 109.311 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 100' ' ' ALA . . . . . 0.59 ' HA ' HD12 ' A' ' 105' ' ' ILE . . . -57.72 -41.02 80.94 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.645 1.216 . . . . 0.0 109.269 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 2.7 mt-30 -80.34 -37.86 31.68 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.525 1.14 . . . . 0.0 110.244 -179.946 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 102' ' ' SER . . . . . 0.422 ' N ' ' O ' ' A' ' 98' ' ' THR . 47.2 t -61.17 -40.24 93.12 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.496 1.123 . . . . 0.0 109.954 -179.917 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . 0.761 HD13 HD12 ' A' ' 123' ' ' ILE . 64.9 mt -85.08 -15.98 42.15 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.398 1.061 . . . . 0.0 109.314 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 46.4 t30 67.67 52.63 0.74 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.495 1.122 . . . . 0.0 109.25 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 105' ' ' ILE . . . . . 0.604 ' CD1' ' CE1' ' A' ' 31' ' ' PHE . 84.9 mt -78.22 -100.63 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.437 1.086 . . . . 0.0 109.297 179.928 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 106' ' ' SER . . . . . 0.525 ' N ' HG22 ' A' ' 105' ' ' ILE . 3.2 p 82.54 -6.64 1.32 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.459 1.099 . . . . 0.0 110.083 -179.915 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 107' ' ' VAL . . . . . 0.57 ' H ' HG22 ' A' ' 105' ' ' ILE . 2.2 p -119.98 131.82 71.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.52 1.138 . . . . 0.0 109.24 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 108' ' ' TYR . . . . . 0.583 ' CE1' ' HB3' ' A' ' 31' ' ' PHE . 22.4 m-85 -131.54 153.74 81.65 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.552 1.157 . . . . 0.0 110.947 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 109' ' ' PRO . . . . . 0.527 ' C ' ' HA ' ' A' ' 108' ' ' TYR . 18.4 Cg_endo -75.06 167.49 80.27 Favored 'Cis proline' 0 C--N 1.359 1.112 0 C-N-CA 121.015 -2.494 . . . . 0.0 110.918 -0.038 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 110' ' ' SER . . . . . 0.415 ' O ' ' HA ' ' A' ' 30' ' ' LYS . 0.5 OUTLIER -142.58 166.0 25.85 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.433 1.083 . . . . 0.0 110.058 179.981 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 111' ' ' TRP . . . . . 0.572 ' CE3' ' HB2' ' A' ' 30' ' ' LYS . 76.9 m95 -141.93 141.23 32.95 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.593 1.183 . . . . 0.0 108.009 -179.949 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -133.51 135.88 44.71 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.472 1.108 . . . . 0.0 109.282 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 113' ' ' LEU . . . . . 0.558 HD13 HD13 ' A' ' 28' ' ' LEU . 49.4 tp -108.73 133.94 52.13 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.523 1.139 . . . . 0.0 109.285 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 20.1 mm -122.38 128.13 75.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.492 1.12 . . . . 0.0 109.279 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 115' ' ' GLY . . . . . 0.405 ' CA ' ' HG2' ' A' ' 121' ' ' GLN . . . -52.58 168.16 0.88 Allowed Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.437 1.085 . . . . 0.0 110.906 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.18 -7.41 49.02 Favored 'General case' 0 C--N 1.327 -0.406 0 O-C-N 124.426 0.721 . . . . 0.0 109.269 -179.9 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 9.9 m-20 -103.72 1.43 31.78 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.481 1.113 . . . . 0.0 109.347 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . 80.74 33.77 29.6 Favored Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.512 1.133 . . . . 0.0 111.022 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 2.1 p30 -117.58 135.52 53.91 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.526 0.78 . . . . 0.0 109.298 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 53.0 t -44.68 116.19 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.473 1.108 . . . . 0.0 109.245 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 121' ' ' GLN . . . . . 0.405 ' HG2' ' CA ' ' A' ' 115' ' ' GLY . 5.3 mm-40 -93.02 -62.12 1.44 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.449 1.093 . . . . 0.0 110.27 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 2.7 tpt85 -158.28 137.49 11.61 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.434 1.084 . . . . 0.0 110.329 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 123' ' ' ILE . . . . . 0.761 HD12 HD13 ' A' ' 103' ' ' LEU . 0.6 OUTLIER -98.39 137.46 25.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.528 1.142 . . . . 0.0 109.366 179.972 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 42.3 t -124.94 130.88 73.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.473 1.108 . . . . 0.0 109.298 -179.935 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -116.2 134.12 55.26 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.503 1.127 . . . . 0.0 109.313 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . 115.11 -154.04 17.24 Favored Glycine 0 CA--C 1.532 1.099 0 O-C-N 124.414 1.071 . . . . 0.0 110.959 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -124.44 138.0 54.39 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.597 0.821 . . . . 0.0 109.964 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 128' ' ' ILE . . . . . 0.401 ' HA ' ' OE1' ' A' ' 132' ' ' GLN . 11.3 pt -115.67 162.62 13.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.541 1.151 . . . . 0.0 109.328 179.933 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 129' ' ' ASN . . . . . . . . . . . . . 2.2 p30 -108.92 167.57 9.99 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.458 1.099 . . . . 0.0 109.323 179.921 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 130' ' ' GLU . . . . . 0.426 ' O ' ' HB3' ' A' ' 133' ' ' ALA . 4.6 tt0 -47.28 -49.3 23.97 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.5 1.125 . . . . 0.0 110.28 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -48.51 -53.91 16.34 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.493 1.121 . . . . 0.0 109.285 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 132' ' ' GLN . . . . . 0.401 ' OE1' ' HA ' ' A' ' 128' ' ' ILE . 0.0 OUTLIER -51.13 -46.7 62.02 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.543 1.152 . . . . 0.0 110.326 179.995 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 133' ' ' ALA . . . . . 0.492 ' HB1' ' CZ ' ' A' ' 55' ' ' PHE . . . -51.92 -46.11 64.52 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.488 1.117 . . . . 0.0 109.308 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 134' ' ' LEU . . . . . 0.702 HD22 ' HG2' ' A' ' 54' ' ' LYS . 12.8 mt . . . . . 0 C--N 1.326 -0.424 0 O-C-N 124.469 1.106 . . . . 0.0 109.313 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 1.8 mm? . . . . . 0 N--CA 1.453 -0.3 0 N-CA-C 109.278 -0.638 . . . . 0.0 109.278 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . 0.419 ' HA ' ' O ' ' A' ' 15' ' ' ARG . 11.7 mttt -105.74 144.17 32.85 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.466 1.104 . . . . 0.0 109.308 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . 0.486 ' CB ' ' O ' ' A' ' 91' ' ' VAL . 8.4 p -87.57 179.66 6.5 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.583 1.177 . . . . 0.0 110.33 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -68.17 -9.18 44.83 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.532 1.145 . . . . 0.0 109.359 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . 0.448 ' N ' ' OD1' ' A' ' 13' ' ' ASP . 0.0 OUTLIER -103.81 25.51 9.75 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.457 1.098 . . . . 0.0 109.283 -179.985 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 48.08 30.93 2.26 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.467 1.104 . . . . 0.0 109.299 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . 0.874 ' HD2' HG21 ' A' ' 19' ' ' VAL . 0.0 OUTLIER -105.27 156.67 35.86 Favored Pre-proline 0 C--N 1.326 -0.438 0 O-C-N 124.467 1.104 . . . . 0.0 110.255 -179.964 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . 0.806 ' O ' HG23 ' A' ' 19' ' ' VAL . 18.1 Cg_endo -74.98 130.32 13.18 Favored 'Trans proline' 0 C--N 1.361 1.205 0 O-C-N 124.432 1.754 . . . . 0.0 111.054 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -48.35 -32.1 7.02 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.446 1.091 . . . . 0.0 109.329 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 53.2 p -49.57 -23.92 1.88 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.564 1.165 . . . . 0.0 110.036 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.874 HG21 ' HD2' ' A' ' 15' ' ' ARG . 84.7 t -53.85 -31.84 21.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.527 1.142 . . . . 0.0 109.268 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 8.2 m-85 -133.64 23.22 3.98 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.568 1.168 . . . . 0.0 110.989 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -111.45 122.25 47.34 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.481 1.113 . . . . 0.0 109.398 179.902 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -113.45 99.51 7.82 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.524 1.14 . . . . 0.0 109.324 -179.935 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.27 55.68 0.15 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.548 1.155 . . . . 0.0 109.298 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 5.9 t70 177.07 34.8 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.602 1.189 . . . . 0.0 109.228 -179.915 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 1.3 mttt -169.2 167.9 5.32 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.475 1.109 . . . . 0.0 109.322 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 135.19 18.67 Favored 'Trans proline' 0 C--N 1.358 1.064 0 O-C-N 124.531 1.806 . . . . 0.0 111.0 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . 0.418 ' OG1' ' ND2' ' A' ' 59' ' ' ASN . 88.4 m -116.45 127.48 54.63 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.429 1.081 . . . . 0.0 110.391 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.516 HD12 ' O ' ' A' ' 112' ' ' ALA . 14.1 tp -109.09 129.5 55.47 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.507 1.129 . . . . 0.0 109.36 179.934 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.584 ' HB ' ' HB3' ' A' ' 112' ' ' ALA . 7.9 mt -108.82 148.4 12.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.472 1.107 . . . . 0.0 109.32 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.409 ' HG3' ' CE2' ' A' ' 111' ' ' TRP . 17.6 tttp -138.66 114.6 10.06 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.514 1.134 . . . . 0.0 109.284 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . 0.701 ' CZ ' HD12 ' A' ' 105' ' ' ILE . 54.5 m-85 -84.79 131.69 34.51 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.517 1.136 . . . . 0.0 111.065 179.908 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' TRP . . . . . 0.585 ' CZ2' HD11 ' A' ' 43' ' ' LEU . 7.8 p-90 -137.73 167.46 21.66 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.499 1.124 . . . . 0.0 108.017 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -132.36 147.82 52.4 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.461 1.101 . . . . 0.0 109.313 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -72.23 -39.04 68.8 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.421 1.075 . . . . 0.0 109.98 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 22.0 p-90 -69.99 -14.97 62.95 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 107.942 -1.133 . . . . 0.0 107.942 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 42.4 t -86.95 114.28 57.53 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.438 1.087 . . . . 0.0 108.351 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 -47.42 0.2 Allowed 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.502 1.791 . . . . 0.0 111.013 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -53.95 -27.78 33.26 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.491 1.12 . . . . 0.0 109.271 179.937 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . 0.414 ' O ' ' N ' ' A' ' 43' ' ' LEU . 1.8 m -77.59 -54.38 6.47 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.375 1.047 . . . . 0.0 108.312 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 19.5 mt -51.23 -46.88 62.42 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.513 1.133 . . . . 0.0 109.361 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 9.0 p -62.75 -25.19 68.08 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.569 1.168 . . . . 0.0 110.038 179.917 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -87.38 -31.53 20.06 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.546 1.154 . . . . 0.0 110.354 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.698 ' CD1' HD21 ' A' ' 89' ' ' LEU . 0.2 OUTLIER -45.42 -51.72 11.04 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.529 1.143 . . . . 0.0 109.393 179.89 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -53.26 -49.84 54.66 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.477 1.11 . . . . 0.0 111.022 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . 0.406 ' HG3' ' CE2' ' A' ' 49' ' ' TRP . 5.1 tp60 -63.11 -32.87 74.35 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.48 0.753 . . . . 0.0 110.245 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 24.6 m -66.91 -34.16 77.17 Favored 'General case' 0 C--N 1.323 -0.562 0 O-C-N 124.551 1.157 . . . . 0.0 110.408 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . 0.469 ' CG ' ' HB2' ' A' ' 89' ' ' LEU . 31.6 tt0 -69.51 -31.88 70.39 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.484 1.115 . . . . 0.0 110.307 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . 0.422 ' O ' ' CG ' ' A' ' 51' ' ' GLN . 3.5 tttt -78.06 -36.33 48.48 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.434 1.084 . . . . 0.0 109.35 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' TRP . . . . . 0.543 ' CZ2' ' HB2' ' A' ' 130' ' ' GLU . 47.4 m0 -75.63 -27.89 58.59 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.48 1.113 . . . . 0.0 108.004 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -67.42 -12.59 60.61 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.549 1.156 . . . . 0.0 109.325 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . 0.422 ' CG ' ' O ' ' A' ' 48' ' ' LYS . 5.5 pt20 -113.63 -1.84 13.94 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.57 1.169 . . . . 0.0 110.285 -179.941 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -68.44 121.75 16.99 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.489 1.118 . . . . 0.0 109.322 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -47.87 -50.58 26.05 Favored 'General case' 0 C--N 1.323 -0.548 0 O-C-N 124.62 1.2 . . . . 0.0 109.286 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . 0.651 ' HB3' HD22 ' A' ' 134' ' ' LEU . 0.1 OUTLIER -48.72 -39.45 24.8 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.455 1.097 . . . . 0.0 109.401 179.914 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . 0.883 ' CE1' HD12 ' A' ' 60' ' ' LEU . 0.1 OUTLIER -77.2 -27.72 53.66 Favored 'General case' 0 C--N 1.327 -0.403 0 O-C-N 124.509 1.131 . . . . 0.0 111.043 179.934 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 8.0 t -46.09 -38.84 8.54 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.477 1.111 . . . . 0.0 110.023 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 5.2 t -40.09 -51.91 2.57 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.519 1.137 . . . . 0.0 109.925 -179.926 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -112.72 165.8 11.94 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.505 1.128 . . . . 0.0 109.292 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . 0.418 ' ND2' ' OG1' ' A' ' 27' ' ' THR . 1.3 m-20 -89.0 123.55 33.43 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.502 1.126 . . . . 0.0 109.286 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.883 HD12 ' CE1' ' A' ' 55' ' ' PHE . 2.4 tt -109.93 127.36 54.71 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.558 1.161 . . . . 0.0 109.262 -179.932 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.627 ' N ' HD23 ' A' ' 60' ' ' LEU . 1.0 OUTLIER -153.5 162.22 2.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 O-C-N 124.45 1.094 . . . . 0.0 109.341 179.97 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . 0.536 ' HB ' ' CD1' ' A' ' 32' ' ' TRP . 32.7 p -114.76 148.98 37.61 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.418 1.074 . . . . 0.0 110.414 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . 0.416 HG22 ' HB ' ' A' ' 92' ' ' VAL . 2.2 t -122.95 145.06 30.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.525 1.141 . . . . 0.0 109.269 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -134.66 148.51 50.37 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.587 1.179 . . . . 0.0 109.295 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . 0.439 ' CB ' ' HB3' ' A' ' 68' ' ' PHE . 38.5 m -123.52 108.77 31.11 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.492 1.12 . . . . 0.0 109.913 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . 0.467 ' HA ' ' O ' ' A' ' 72' ' ' LYS . 18.4 Cg_endo -74.96 136.37 20.38 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.558 1.82 . . . . 0.0 110.997 179.899 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 72.22 2.49 53.89 Favored Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.511 1.132 . . . . 0.0 110.974 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . 0.439 ' HB3' ' CB ' ' A' ' 65' ' ' SER . 17.1 t80 -115.11 126.6 54.84 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.537 0.786 . . . . 0.0 111.054 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.654 ' CD2' ' CE2' ' A' ' 108' ' ' TYR . 1.2 mp 75.93 27.57 0.93 Allowed 'General case' 0 C--N 1.322 -0.594 0 O-C-N 124.533 1.146 . . . . 0.0 109.323 179.945 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER 64.89 23.05 12.58 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.535 1.147 . . . . 0.0 109.635 -179.916 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . 0.419 ' O ' ' C ' ' A' ' 72' ' ' LYS . 0.1 OUTLIER -86.78 144.5 27.03 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.409 1.068 . . . . 0.0 110.264 -179.939 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . 0.467 ' O ' ' HA ' ' A' ' 66' ' ' PRO . 3.9 mmtp -38.8 142.7 0.19 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.522 1.138 . . . . 0.0 109.299 -179.943 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.26 165.86 23.39 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.507 1.13 . . . . 0.0 109.341 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 11.4 t70 -53.1 154.73 2.89 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.512 1.133 . . . . 0.0 109.264 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . 0.464 ' CA ' ' HG3' ' A' ' 78' ' ' GLN . . . 77.99 -52.09 3.59 Favored Glycine 0 CA--C 1.529 0.946 0 O-C-N 124.496 1.122 . . . . 0.0 111.011 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -63.64 -53.61 48.8 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.412 0.713 . . . . 0.0 109.335 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 40.5 t80 -57.42 -31.08 65.5 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.404 1.065 . . . . 0.0 110.953 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' GLN . . . . . 0.464 ' HG3' ' CA ' ' A' ' 75' ' ' GLY . 4.6 mt-30 -63.3 -39.73 95.37 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.553 1.158 . . . . 0.0 110.291 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.3 -41.06 81.47 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.494 1.122 . . . . 0.0 109.347 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 80' ' ' TRP . . . . . . . . . . . . . 2.7 t90 . . . . . 0 C--N 1.325 -0.497 0 O-C-N 124.547 1.154 . . . . 0.0 107.993 179.986 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 3.1 mmtt . . . . . 0 N--CA 1.452 -0.331 0 N-CA-C 109.275 -0.639 . . . . 0.0 109.275 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . 0.878 HD12 ' HD2' ' A' ' 90' ' ' PRO . 4.3 tp -112.54 129.79 24.04 Favored Pre-proline 0 C--N 1.324 -0.521 0 O-C-N 124.557 1.161 . . . . 0.0 109.384 179.945 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 90' ' ' PRO . . . . . 0.878 ' HD2' HD12 ' A' ' 89' ' ' LEU . 18.3 Cg_endo -74.95 127.73 10.95 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.488 1.783 . . . . 0.0 111.027 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . 0.486 ' O ' ' CB ' ' A' ' 11' ' ' THR . 53.9 t -145.83 117.63 2.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.44 1.088 . . . . 0.0 109.258 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . 0.416 ' HB ' HG22 ' A' ' 63' ' ' VAL . 84.9 t -108.28 137.3 40.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 O-C-N 124.405 1.066 . . . . 0.0 109.372 179.902 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 12.4 p -120.41 119.52 33.28 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.474 1.109 . . . . 0.0 110.458 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 58.0 t0 -115.2 111.48 21.04 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.619 1.199 . . . . 0.0 109.269 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 23.2 t-20 -56.26 115.2 2.33 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.385 1.053 . . . . 0.0 109.39 179.9 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 86.58 -18.12 35.8 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.475 1.109 . . . . 0.0 111.054 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 65.98 66.09 2.57 Favored Glycine 0 CA--C 1.529 0.967 0 N-CA-C 110.963 -0.855 . . . . 0.0 110.963 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 98' ' ' THR . . . . . 0.426 ' O ' ' N ' ' A' ' 102' ' ' SER . 1.2 m -57.88 -49.11 77.81 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.383 0.696 . . . . 0.0 110.411 179.944 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 6.4 mt -65.6 -47.39 86.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.121 . . . . 0.0 109.302 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -59.31 -38.42 80.19 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.514 1.134 . . . . 0.0 109.259 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 26.6 mt-30 -77.77 -36.29 50.72 Favored 'General case' 0 C--N 1.323 -0.558 0 O-C-N 124.489 1.118 . . . . 0.0 110.247 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 102' ' ' SER . . . . . 0.426 ' N ' ' O ' ' A' ' 98' ' ' THR . 8.6 t -64.82 -30.93 71.95 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.494 1.121 . . . . 0.0 109.931 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . 0.484 HD21 HG21 ' A' ' 120' ' ' VAL . 48.1 mt -97.23 5.1 50.62 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.575 1.172 . . . . 0.0 109.317 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 16.3 t-20 53.46 46.89 25.27 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.456 1.097 . . . . 0.0 109.256 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 105' ' ' ILE . . . . . 0.701 HD12 ' CZ ' ' A' ' 31' ' ' PHE . 9.7 mt -93.86 112.53 26.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.526 1.141 . . . . 0.0 109.275 -179.947 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 11.8 p -133.69 33.28 3.5 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.467 1.104 . . . . 0.0 110.041 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 2.1 p -148.06 132.55 9.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.479 1.112 . . . . 0.0 109.32 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 108' ' ' TYR . . . . . 0.654 ' CE2' ' CD2' ' A' ' 69' ' ' LEU . 22.5 m-85 -130.34 152.92 81.05 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.499 1.124 . . . . 0.0 111.073 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 109' ' ' PRO . . . . . 0.533 ' C ' ' HA ' ' A' ' 108' ' ' TYR . 18.2 Cg_endo -75.07 161.41 94.86 Favored 'Cis proline' 0 C--N 1.36 1.144 0 C-N-CA 120.903 -2.541 . . . . 0.0 110.979 -0.0 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -136.55 163.72 29.87 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.547 1.154 . . . . 0.0 109.985 -179.931 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 111' ' ' TRP . . . . . 0.409 ' CE2' ' HG3' ' A' ' 30' ' ' LYS . 80.6 m95 -135.65 141.66 45.06 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.453 1.095 . . . . 0.0 108.121 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 112' ' ' ALA . . . . . 0.584 ' HB3' ' HB ' ' A' ' 29' ' ' ILE . . . -132.15 138.63 48.11 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.558 1.161 . . . . 0.0 109.293 -179.907 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 20.8 tp -108.93 131.61 54.87 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.496 1.122 . . . . 0.0 109.306 179.905 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 114' ' ' ILE . . . . . 0.674 HD13 ' HA ' ' A' ' 120' ' ' VAL . 41.2 mm -121.57 125.79 73.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.575 1.172 . . . . 0.0 109.282 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -55.32 169.08 2.15 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.521 1.138 . . . . 0.0 110.963 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -68.83 -12.12 61.2 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.499 0.764 . . . . 0.0 109.286 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -88.63 -19.12 26.64 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.513 1.133 . . . . 0.0 109.237 -179.911 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . 99.73 23.83 10.53 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.432 1.083 . . . . 0.0 110.967 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -111.71 154.49 24.91 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.555 0.797 . . . . 0.0 109.24 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 120' ' ' VAL . . . . . 0.674 ' HA ' HD13 ' A' ' 114' ' ' ILE . 27.0 t -58.26 113.04 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.437 1.086 . . . . 0.0 109.334 179.863 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 4.0 tp-100 -88.39 -55.03 3.9 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.398 1.061 . . . . 0.0 110.272 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -154.24 158.43 40.24 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.517 1.136 . . . . 0.0 110.381 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 123' ' ' ILE . . . . . . . . . . . . . 3.5 tt -120.22 138.57 50.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.518 1.136 . . . . 0.0 109.365 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 57.1 t -130.96 138.42 53.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.508 1.13 . . . . 0.0 109.359 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 25.5 mttt -121.71 120.24 34.09 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.462 1.101 . . . . 0.0 109.374 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . 126.96 -168.95 18.97 Favored Glycine 0 CA--C 1.531 1.071 0 O-C-N 124.501 1.125 . . . . 0.0 110.922 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -110.03 154.71 22.81 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.481 0.754 . . . . 0.0 109.963 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 128' ' ' ILE . . . . . . . . . . . . . 9.9 pt -134.26 162.56 38.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.6 1.187 . . . . 0.0 109.29 179.915 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 129' ' ' ASN . . . . . 0.609 ' ND2' ' HB3' ' A' ' 131' ' ' ALA . 3.3 p-10 -102.3 172.64 6.77 Favored 'General case' 0 C--N 1.323 -0.547 0 O-C-N 124.585 1.178 . . . . 0.0 109.292 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 130' ' ' GLU . . . . . 0.543 ' HB2' ' CZ2' ' A' ' 49' ' ' TRP . 29.6 tt0 -54.91 -48.59 72.87 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.46 1.1 . . . . 0.0 110.274 -179.95 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 131' ' ' ALA . . . . . 0.609 ' HB3' ' ND2' ' A' ' 129' ' ' ASN . . . -53.24 -51.2 62.96 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.507 1.13 . . . . 0.0 109.224 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 6.5 mt-30 -50.81 -44.72 59.14 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.463 1.102 . . . . 0.0 110.265 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 133' ' ' ALA . . . . . 0.406 ' HB3' ' O ' ' A' ' 130' ' ' GLU . . . -54.28 -38.82 66.29 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.566 1.166 . . . . 0.0 109.257 -179.941 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 134' ' ' LEU . . . . . 0.651 HD22 ' HB3' ' A' ' 54' ' ' LYS . 14.3 mt . . . . . 0 C--N 1.325 -0.477 0 O-C-N 124.482 1.114 . . . . 0.0 109.323 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.449 HD11 ' HA ' ' A' ' 94' ' ' ASP . 3.6 mm? . . . . . 0 N--CA 1.454 -0.268 0 N-CA-C 109.174 -0.676 . . . . 0.0 109.174 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . 0.405 ' HA ' ' O ' ' A' ' 15' ' ' ARG . 6.4 mttt -137.94 149.09 45.88 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.537 1.148 . . . . 0.0 109.327 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . 0.592 HG22 HG22 ' A' ' 92' ' ' VAL . 22.8 p -82.72 178.31 8.25 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.355 1.034 . . . . 0.0 110.429 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -68.0 -12.12 60.18 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.424 1.077 . . . . 0.0 109.322 179.941 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -94.7 16.4 15.79 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.434 1.083 . . . . 0.0 109.282 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 55.23 34.89 23.69 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.491 1.119 . . . . 0.0 109.252 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . 0.405 ' O ' ' HA ' ' A' ' 10' ' ' LYS . 0.7 OUTLIER -111.76 152.73 44.35 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.52 1.137 . . . . 0.0 110.36 179.973 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 17.9 Cg_endo -74.93 133.79 17.14 Favored 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.548 1.815 . . . . 0.0 111.004 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . 0.424 ' HB1' HD13 ' A' ' 21' ' ' LEU . . . -54.07 -26.95 29.57 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.444 1.09 . . . . 0.0 109.32 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 44.3 t -51.96 -31.92 31.12 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.52 1.137 . . . . 0.0 110.036 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 55.9 t -59.1 -29.81 42.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.515 1.135 . . . . 0.0 109.326 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 12.2 m-85 -118.38 22.76 11.94 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.485 1.116 . . . . 0.0 110.993 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.424 HD13 ' HB1' ' A' ' 17' ' ' ALA . 0.2 OUTLIER -132.5 106.82 8.08 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.468 1.105 . . . . 0.0 109.329 179.971 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -104.69 115.41 30.27 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.566 1.167 . . . . 0.0 109.361 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.58 51.75 0.37 Allowed 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.523 1.139 . . . . 0.0 109.256 -179.952 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -168.44 28.01 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.556 1.16 . . . . 0.0 109.218 179.922 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 7.4 ptmm? -169.3 161.61 7.59 Favored Pre-proline 0 C--N 1.324 -0.536 0 O-C-N 124.54 1.15 . . . . 0.0 109.37 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 144.74 30.6 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.419 1.747 . . . . 0.0 111.03 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 20.1 m -125.23 140.91 52.43 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.523 1.139 . . . . 0.0 110.44 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.552 HD21 ' CE3' ' A' ' 111' ' ' TRP . 5.3 tp -121.56 136.42 54.95 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.564 1.165 . . . . 0.0 109.309 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.698 ' HB ' ' HB3' ' A' ' 112' ' ' ALA . 1.3 mt -116.18 149.95 18.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.498 1.124 . . . . 0.0 109.292 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.571 ' HB2' ' CZ3' ' A' ' 111' ' ' TRP . 1.2 tttm -136.88 121.64 18.63 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.454 1.096 . . . . 0.0 109.304 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . 0.581 ' HB3' ' CE1' ' A' ' 108' ' ' TYR . 61.0 m-85 -94.05 125.83 38.91 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.558 1.161 . . . . 0.0 111.029 179.932 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' TRP . . . . . 0.686 ' CZ3' HD11 ' A' ' 43' ' ' LEU . 9.4 p-90 -131.19 165.75 22.65 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.551 1.157 . . . . 0.0 108.024 179.94 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . 0.514 ' HB1' ' CE2' ' A' ' 35' ' ' TRP . . . -132.24 145.64 51.46 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.504 1.127 . . . . 0.0 109.295 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . 0.732 ' O ' HD11 ' A' ' 40' ' ' LEU . 0.1 OUTLIER -70.29 -24.47 63.04 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.458 1.099 . . . . 0.0 109.955 179.946 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' TRP . . . . . 0.514 ' CE2' ' HB1' ' A' ' 33' ' ' ALA . 20.3 p-90 -81.49 -9.31 59.73 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 108.011 -1.107 . . . . 0.0 108.011 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 50.0 t -93.67 116.57 66.63 Favored Pre-proline 0 C--N 1.324 -0.528 0 O-C-N 124.509 1.131 . . . . 0.0 108.364 179.904 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.91 -48.4 0.18 Allowed 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.49 1.784 . . . . 0.0 111.067 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -52.29 -30.65 29.09 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.521 1.138 . . . . 0.0 109.387 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 2.3 m -77.79 -50.27 12.68 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.543 1.152 . . . . 0.0 108.321 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.732 HD11 ' O ' ' A' ' 34' ' ' SER . 8.7 mt -51.46 -46.92 63.23 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.573 1.171 . . . . 0.0 109.302 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 88.4 p -69.94 -25.24 63.56 Favored 'General case' 0 C--N 1.323 -0.554 0 O-C-N 124.539 1.149 . . . . 0.0 109.967 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -80.23 -24.15 40.4 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.531 1.145 . . . . 0.0 110.261 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.686 HD11 ' CZ3' ' A' ' 32' ' ' TRP . 55.7 mt -44.32 -53.14 7.01 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.496 1.122 . . . . 0.0 109.355 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -56.09 -50.06 63.93 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.524 1.14 . . . . 0.0 110.95 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 1.3 tt0 -62.75 -31.29 72.2 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.469 0.747 . . . . 0.0 110.321 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . 0.427 ' O ' ' CB ' ' A' ' 50' ' ' ALA . 29.3 m -67.46 -33.37 74.99 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.487 1.117 . . . . 0.0 110.423 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 26.6 tt0 -70.08 -40.23 75.13 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.44 1.087 . . . . 0.0 110.271 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 27.4 tttt -70.71 -35.52 72.78 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.556 1.16 . . . . 0.0 109.326 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' TRP . . . . . 0.612 ' O ' ' CD2' ' A' ' 55' ' ' PHE . 44.8 m0 -77.69 -42.49 34.36 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.574 1.172 . . . . 0.0 107.918 -179.925 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.427 ' CB ' ' O ' ' A' ' 46' ' ' THR . . . -65.87 -14.36 61.34 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.489 1.118 . . . . 0.0 109.331 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 1.3 pp0? -113.95 6.21 16.47 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.564 1.165 . . . . 0.0 110.246 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . 0.427 ' OD2' ' CD1' ' A' ' 55' ' ' PHE . 18.5 t0 -67.04 142.5 57.16 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.54 1.15 . . . . 0.0 109.358 179.905 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -63.0 -51.94 64.91 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.535 1.147 . . . . 0.0 109.325 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . 0.459 ' HB3' ' CD2' ' A' ' 134' ' ' LEU . 27.4 mmtm -51.84 -32.77 33.25 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.522 1.139 . . . . 0.0 109.285 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . 0.612 ' CD2' ' O ' ' A' ' 49' ' ' TRP . 3.2 m-85 -77.08 -27.12 54.12 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.538 1.149 . . . . 0.0 110.957 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -45.01 -27.11 0.51 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.511 1.132 . . . . 0.0 109.967 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . 0.403 ' N ' ' C ' ' A' ' 55' ' ' PHE . 49.8 m -52.45 -58.24 7.33 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 0.0 109.961 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . 0.417 ' O ' ' O ' ' A' ' 55' ' ' PHE . . . -110.59 166.62 10.86 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.557 1.16 . . . . 0.0 109.332 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 91.8 m-20 -88.1 135.33 33.48 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.585 1.178 . . . . 0.0 109.302 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.758 HD23 ' N ' ' A' ' 61' ' ' ILE . 3.8 tt -127.24 126.93 43.59 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.475 1.109 . . . . 0.0 109.267 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.758 ' N ' HD23 ' A' ' 60' ' ' LEU . 0.2 OUTLIER -150.81 160.79 3.92 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.518 1.136 . . . . 0.0 109.355 179.959 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . 0.453 ' HB ' ' CD1' ' A' ' 32' ' ' TRP . 7.3 p -108.07 151.14 26.26 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.42 1.075 . . . . 0.0 110.339 -179.954 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . 0.44 HG22 ' HB ' ' A' ' 92' ' ' VAL . 2.6 t -124.72 143.98 36.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.548 1.155 . . . . 0.0 109.267 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . 0.446 ' N ' ' O ' ' A' ' 92' ' ' VAL . . . -133.86 148.31 51.26 Favored 'General case' 0 C--N 1.327 -0.401 0 O-C-N 124.436 1.085 . . . . 0.0 109.334 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . 0.47 ' CB ' ' HB3' ' A' ' 68' ' ' PHE . 10.9 m -120.27 108.28 38.24 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.432 1.082 . . . . 0.0 109.985 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . 0.426 ' HA ' ' O ' ' A' ' 72' ' ' LYS . 18.3 Cg_endo -75.0 134.47 17.85 Favored 'Trans proline' 0 C--N 1.359 1.082 0 O-C-N 124.473 1.775 . . . . 0.0 110.998 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 67.46 14.72 64.96 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.518 1.136 . . . . 0.0 110.915 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . 0.749 ' CE2' HD23 ' A' ' 69' ' ' LEU . 65.7 t80 -124.22 145.97 49.02 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.526 0.78 . . . . 0.0 111.017 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.749 HD23 ' CE2' ' A' ' 68' ' ' PHE . 0.2 OUTLIER 54.34 47.2 23.49 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.503 1.127 . . . . 0.0 109.285 179.927 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 18.3 m-70 50.97 41.0 26.66 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.515 1.134 . . . . 0.0 109.624 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . 0.423 ' CB ' ' O ' ' A' ' 68' ' ' PHE . 14.5 tp10 -103.75 161.27 14.07 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.49 1.119 . . . . 0.0 110.327 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . 0.426 ' O ' ' HA ' ' A' ' 66' ' ' PRO . 6.9 mmtt -57.39 132.14 52.19 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.422 1.076 . . . . 0.0 109.314 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 47.4 mtmt -62.69 158.6 18.08 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.521 1.138 . . . . 0.0 109.262 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -49.2 157.92 0.41 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.536 1.148 . . . . 0.0 109.306 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 76.68 -53.33 3.26 Favored Glycine 0 CA--C 1.531 1.061 0 O-C-N 124.481 1.113 . . . . 0.0 110.975 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -61.24 -52.03 66.46 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.533 0.784 . . . . 0.0 109.315 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 35.1 t80 -59.62 -27.36 66.25 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.555 1.159 . . . . 0.0 110.874 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 5.6 mt-30 -70.78 -28.73 64.88 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.496 1.123 . . . . 0.0 110.253 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.42 -39.57 62.54 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.475 1.109 . . . . 0.0 109.346 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 80' ' ' TRP . . . . . 0.575 ' CE3' ' OG ' ' A' ' 34' ' ' SER . 3.7 t90 . . . . . 0 C--N 1.324 -0.523 0 N-CA-C 107.932 -1.136 . . . . 0.0 107.932 -179.855 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.288 0 N-CA-C 109.23 -0.656 . . . . 0.0 109.23 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . 0.518 ' CD2' HG23 ' A' ' 91' ' ' VAL . 0.0 OUTLIER -94.43 146.28 31.23 Favored Pre-proline 0 C--N 1.324 -0.521 0 O-C-N 124.529 1.143 . . . . 0.0 109.232 -179.925 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.96 127.82 11.02 Favored 'Trans proline' 0 C--N 1.361 1.21 0 O-C-N 124.469 1.773 . . . . 0.0 110.999 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . 0.518 HG23 ' CD2' ' A' ' 89' ' ' LEU . 37.1 t -139.13 118.64 13.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.54 1.15 . . . . 0.0 109.312 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . 0.592 HG22 HG22 ' A' ' 11' ' ' THR . 80.5 t -107.97 143.22 18.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 O-C-N 124.514 1.134 . . . . 0.0 109.252 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 3.1 p -128.15 116.07 19.37 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.434 1.084 . . . . 0.0 110.413 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 94' ' ' ASP . . . . . 0.449 ' HA ' HD11 ' A' ' 9' ' ' LEU . 60.8 t0 -114.89 111.47 21.24 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.448 1.093 . . . . 0.0 109.29 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -57.91 112.3 1.45 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.521 1.138 . . . . 0.0 109.256 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 86.29 -16.3 44.78 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.499 1.124 . . . . 0.0 111.042 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 61.35 67.28 2.19 Favored Glycine 0 CA--C 1.53 1.002 0 N-CA-C 111.001 -0.84 . . . . 0.0 111.001 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 98' ' ' THR . . . . . 0.473 ' O ' ' CB ' ' A' ' 102' ' ' SER . 1.3 m -60.04 -30.3 69.09 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.515 0.773 . . . . 0.0 110.37 -179.952 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 3.3 mt -80.77 -36.14 15.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.431 1.082 . . . . 0.0 109.282 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 100' ' ' ALA . . . . . 0.467 ' HA ' HD12 ' A' ' 105' ' ' ILE . . . -74.18 -38.48 63.64 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.497 1.123 . . . . 0.0 109.309 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 2.5 tt0 -77.38 -32.82 55.18 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.472 1.107 . . . . 0.0 110.288 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 102' ' ' SER . . . . . 0.473 ' CB ' ' O ' ' A' ' 98' ' ' THR . 29.0 t -72.68 -20.67 61.2 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.421 1.076 . . . . 0.0 109.99 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . 0.41 HD21 HG21 ' A' ' 120' ' ' VAL . 80.6 mt -106.12 -7.48 17.93 Favored 'General case' 0 C--N 1.327 -0.411 0 O-C-N 124.413 1.071 . . . . 0.0 109.325 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 58.5 t30 65.7 55.99 0.95 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.5 1.125 . . . . 0.0 109.366 -179.919 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 105' ' ' ILE . . . . . 0.543 ' CD1' ' CZ ' ' A' ' 31' ' ' PHE . 79.1 mt -97.14 117.55 41.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.468 1.105 . . . . 0.0 109.285 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 5.2 p -142.1 30.9 1.59 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.481 1.113 . . . . 0.0 110.01 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 1.5 p -147.35 132.32 11.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.53 1.144 . . . . 0.0 109.271 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 108' ' ' TYR . . . . . 0.581 ' CE1' ' HB3' ' A' ' 31' ' ' PHE . 22.5 m-85 -131.42 152.62 80.82 Favored Pre-proline 0 C--N 1.326 -0.44 0 O-C-N 124.497 1.123 . . . . 0.0 111.039 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 109' ' ' PRO . . . . . 0.524 ' C ' ' HA ' ' A' ' 108' ' ' TYR . 18.3 Cg_endo -74.92 167.74 79.48 Favored 'Cis proline' 0 C--N 1.358 1.057 0 C-N-CA 121.047 -2.48 . . . . 0.0 111.043 -0.06 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 110' ' ' SER . . . . . 0.418 ' O ' ' HA ' ' A' ' 30' ' ' LYS . 0.6 OUTLIER -142.82 157.45 44.6 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.51 1.131 . . . . 0.0 110.031 179.965 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 111' ' ' TRP . . . . . 0.571 ' CZ3' ' HB2' ' A' ' 30' ' ' LYS . 93.4 m95 -132.49 140.3 48.3 Favored 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 107.947 -1.131 . . . . 0.0 107.947 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 112' ' ' ALA . . . . . 0.698 ' HB3' ' HB ' ' A' ' 29' ' ' ILE . . . -124.51 138.25 54.35 Favored 'General case' 0 C--N 1.327 -0.398 0 O-C-N 124.525 1.141 . . . . 0.0 109.275 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 113' ' ' LEU . . . . . 0.431 ' O ' HD13 ' A' ' 114' ' ' ILE . 43.3 tp -109.02 134.25 51.92 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.397 1.061 . . . . 0.0 109.295 -179.95 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 114' ' ' ILE . . . . . 0.596 HD13 ' HA ' ' A' ' 120' ' ' VAL . 45.4 mm -123.09 131.15 73.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.537 1.148 . . . . 0.0 109.238 -179.95 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -62.82 172.15 10.77 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.554 1.159 . . . . 0.0 111.04 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.97 -11.78 61.12 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.418 0.717 . . . . 0.0 109.255 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -88.69 -12.47 42.25 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.535 1.147 . . . . 0.0 109.181 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . 88.74 33.31 10.1 Favored Glycine 0 CA--C 1.531 1.075 0 O-C-N 124.552 1.157 . . . . 0.0 111.045 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -124.38 154.01 41.0 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.514 0.773 . . . . 0.0 109.36 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 120' ' ' VAL . . . . . 0.596 ' HA ' HD13 ' A' ' 114' ' ' ILE . 0.3 OUTLIER -54.28 117.96 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.473 1.108 . . . . 0.0 109.348 179.985 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 2.0 tt0 -97.45 -51.71 4.05 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.5 1.125 . . . . 0.0 110.293 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -156.71 140.98 16.55 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.488 1.117 . . . . 0.0 110.328 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 123' ' ' ILE . . . . . . . . . . . . . 20.6 tt -104.56 138.25 30.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.459 1.099 . . . . 0.0 109.322 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 57.8 t -126.93 138.76 53.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.425 1.078 . . . . 0.0 109.306 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -118.73 126.78 52.64 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.441 1.088 . . . . 0.0 109.31 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . 119.6 -138.96 13.68 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.51 1.131 . . . . 0.0 111.017 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -139.19 157.52 45.79 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.525 0.779 . . . . 0.0 110.04 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 128' ' ' ILE . . . . . 0.41 ' HA ' ' OE1' ' A' ' 132' ' ' GLN . 4.7 pt -129.04 167.0 25.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.584 1.177 . . . . 0.0 109.314 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 129' ' ' ASN . . . . . 0.686 HD22 ' HB3' ' A' ' 131' ' ' ALA . 1.2 p-10 -107.43 163.42 13.06 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.48 1.112 . . . . 0.0 109.188 -179.878 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 130' ' ' GLU . . . . . 0.402 ' HB2' ' CE2' ' A' ' 49' ' ' TRP . 23.4 tt0 -53.61 -34.91 60.11 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.505 1.128 . . . . 0.0 110.314 179.934 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 131' ' ' ALA . . . . . 0.686 ' HB3' HD22 ' A' ' 129' ' ' ASN . . . -65.41 -49.04 70.74 Favored 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.417 1.073 . . . . 0.0 109.241 -179.94 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 132' ' ' GLN . . . . . 0.41 ' OE1' ' HA ' ' A' ' 128' ' ' ILE . 37.2 mt-30 -51.54 -43.75 62.43 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.536 1.148 . . . . 0.0 110.313 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 133' ' ' ALA . . . . . 0.431 ' CB ' ' CZ ' ' A' ' 55' ' ' PHE . . . -57.88 -37.11 73.38 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.571 1.17 . . . . 0.0 109.341 179.941 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 134' ' ' LEU . . . . . 0.459 ' CD2' ' HB3' ' A' ' 54' ' ' LYS . 16.8 mt . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.471 1.107 . . . . 0.0 109.295 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.421 HD11 ' HA ' ' A' ' 94' ' ' ASP . 2.4 mm? . . . . . 0 N--CA 1.453 -0.276 0 N-CA-C 109.285 -0.635 . . . . 0.0 109.285 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 2.8 mtmm -118.78 158.18 26.11 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.433 1.083 . . . . 0.0 109.357 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 13.6 p -88.44 -177.61 5.66 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.512 1.132 . . . . 0.0 110.403 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -74.6 -4.42 37.0 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.39 1.056 . . . . 0.0 109.246 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -103.51 20.59 17.61 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.546 1.153 . . . . 0.0 109.348 179.87 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 55.72 31.53 17.65 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.497 1.123 . . . . 0.0 109.352 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 38.8 mtt180 -111.89 149.13 40.37 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.528 1.143 . . . . 0.0 110.267 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 132.36 15.33 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.479 1.778 . . . . 0.0 110.988 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -67.65 -16.44 64.16 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.487 1.117 . . . . 0.0 109.256 -179.938 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -60.56 -18.74 54.49 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.518 1.136 . . . . 0.0 109.972 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 71.8 t -74.96 -17.58 16.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.539 1.149 . . . . 0.0 109.301 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' TYR . . . . . 0.475 ' CZ ' ' HB3' ' A' ' 90' ' ' PRO . 27.2 m-85 -103.71 18.66 21.43 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.558 1.162 . . . . 0.0 111.13 179.877 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.82 HD11 HG21 ' A' ' 27' ' ' THR . 0.0 OUTLIER -145.98 120.36 9.64 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.61 1.194 . . . . 0.0 109.232 -179.917 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . 0.447 ' CB ' ' O ' ' A' ' 21' ' ' LEU . 1.5 mmtp 168.15 -173.49 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.516 1.135 . . . . 0.0 109.388 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.402 ' O ' ' C ' ' A' ' 24' ' ' ASP . 0.1 OUTLIER 65.41 20.44 11.76 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.48 1.112 . . . . 0.0 109.319 179.994 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . 0.402 ' C ' ' O ' ' A' ' 23' ' ' LYS . 0.7 OUTLIER 40.42 39.2 0.66 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.476 1.11 . . . . 0.0 109.313 -179.964 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.411 ' HB2' ' HD2' ' A' ' 26' ' ' PRO . 0.0 OUTLIER -105.54 171.22 5.08 Favored Pre-proline 0 C--N 1.324 -0.539 0 O-C-N 124.508 1.13 . . . . 0.0 109.33 179.965 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . 0.411 ' HD2' ' HB2' ' A' ' 25' ' ' LYS . 18.1 Cg_endo -75.01 153.5 41.75 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.484 1.781 . . . . 0.0 111.006 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . 0.82 HG21 HD11 ' A' ' 21' ' ' LEU . 52.5 m -130.15 140.78 50.73 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.487 1.117 . . . . 0.0 110.416 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 9.6 tp -121.05 121.55 38.17 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.52 1.137 . . . . 0.0 109.242 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.468 ' CG2' HG23 ' A' ' 63' ' ' VAL . 2.8 mt -109.78 147.78 13.9 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 O-C-N 124.43 1.081 . . . . 0.0 109.304 179.924 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.539 ' HB2' ' CE3' ' A' ' 111' ' ' TRP . 7.0 tttp -139.22 129.23 25.08 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.552 1.158 . . . . 0.0 109.28 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . 0.535 ' HB3' ' CE1' ' A' ' 108' ' ' TYR . 23.7 m-85 -101.16 146.13 27.9 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.452 1.095 . . . . 0.0 110.988 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' TRP . . . . . 0.586 ' CE3' ' SG ' ' A' ' 39' ' ' CYS . 0.3 OUTLIER -166.34 159.24 14.62 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.544 1.153 . . . . 0.0 108.019 179.985 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . 0.559 ' HB1' ' CD1' ' A' ' 35' ' ' TRP . . . -109.74 156.45 20.28 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.507 1.13 . . . . 0.0 109.333 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . 0.566 ' HB3' ' CZ3' ' A' ' 80' ' ' TRP . 3.7 t -79.47 -19.49 49.66 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.602 1.189 . . . . 0.0 109.98 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' TRP . . . . . 0.559 ' CD1' ' HB1' ' A' ' 33' ' ' ALA . 22.1 p-90 -77.0 -16.64 59.26 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 108.025 -1.102 . . . . 0.0 108.025 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . 0.597 ' SG ' HD23 ' A' ' 38' ' ' LEU . 51.1 t -75.19 133.11 75.43 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.518 1.136 . . . . 0.0 108.345 179.89 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 -44.31 0.35 Allowed 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.495 1.787 . . . . 0.0 111.051 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.597 HD23 ' SG ' ' A' ' 36' ' ' CYS . 0.2 OUTLIER -61.07 -33.23 73.0 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.573 1.17 . . . . 0.0 109.33 179.928 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . 0.586 ' SG ' ' CE3' ' A' ' 32' ' ' TRP . 7.2 t -64.2 -56.71 12.77 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.601 1.188 . . . . 0.0 108.304 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.401 HD23 HD11 ' A' ' 43' ' ' LEU . 29.1 mt -50.88 -44.39 59.79 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.53 1.144 . . . . 0.0 109.3 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 81.1 p -73.01 -24.99 60.81 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.427 1.079 . . . . 0.0 109.957 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . 0.439 ' HG3' HD12 ' A' ' 38' ' ' LEU . 5.1 mt-10 -82.14 -13.79 56.68 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.553 1.158 . . . . 0.0 110.22 -179.888 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.401 HD11 HD23 ' A' ' 40' ' ' LEU . 34.5 mt -44.15 -50.85 8.48 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.551 1.157 . . . . 0.0 109.313 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -67.24 -53.92 23.22 Favored Glycine 0 CA--C 1.529 0.931 0 O-C-N 124.579 1.174 . . . . 0.0 110.999 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 15.0 tt0 -51.61 -40.77 60.51 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.473 0.749 . . . . 0.0 110.317 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 60.0 m -67.64 -43.01 81.36 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.564 1.165 . . . . 0.0 110.482 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . 0.444 ' CG ' ' HB2' ' A' ' 89' ' ' LEU . 47.2 tt0 -71.43 -28.63 64.12 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.5 1.125 . . . . 0.0 110.291 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 5.7 tttt -77.79 -36.47 50.37 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.393 1.058 . . . . 0.0 109.307 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' TRP . . . . . . . . . . . . . 19.6 m0 -68.49 -41.6 79.84 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.507 1.129 . . . . 0.0 108.017 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -63.73 -13.12 40.64 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.483 1.114 . . . . 0.0 109.359 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 2.9 mm-40 -100.06 -17.83 17.28 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.473 1.108 . . . . 0.0 110.272 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . 0.6 ' OD1' ' CD1' ' A' ' 55' ' ' PHE . 6.4 t0 -59.11 123.38 16.44 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.496 1.122 . . . . 0.0 109.245 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -55.06 -50.03 70.14 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.519 1.137 . . . . 0.0 109.259 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 9.1 mtpp -49.06 -46.04 43.89 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.58 1.175 . . . . 0.0 109.296 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . 0.6 ' CD1' ' OD1' ' A' ' 52' ' ' ASP . 14.5 m-30 -76.88 -27.82 55.14 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.48 1.113 . . . . 0.0 110.977 -179.944 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . 0.44 ' N ' ' O ' ' A' ' 52' ' ' ASP . 14.3 t -45.98 -39.95 9.71 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.47 1.106 . . . . 0.0 110.008 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . 0.402 ' C ' ' O ' ' A' ' 56' ' ' SER . 71.2 m -38.8 -64.43 0.44 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.395 1.06 . . . . 0.0 109.98 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -88.29 166.05 14.58 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.525 1.141 . . . . 0.0 109.29 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . 0.734 ' HB2' HG23 ' A' ' 27' ' ' THR . 0.8 OUTLIER -88.58 122.21 31.79 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.563 1.164 . . . . 0.0 109.263 -179.97 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.829 HD23 ' N ' ' A' ' 61' ' ' ILE . 3.3 tt -112.96 129.58 56.43 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.495 1.122 . . . . 0.0 109.301 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.829 ' N ' HD23 ' A' ' 60' ' ' LEU . 1.0 OUTLIER -153.4 163.0 2.0 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.622 1.201 . . . . 0.0 109.241 -179.954 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . 0.453 HG23 ' O ' ' A' ' 90' ' ' PRO . 6.2 p -112.78 158.86 19.59 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.489 1.118 . . . . 0.0 110.489 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . 0.468 HG23 ' CG2' ' A' ' 29' ' ' ILE . 45.4 t -123.35 138.59 52.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.495 1.122 . . . . 0.0 109.268 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . 0.409 ' O ' ' HA ' ' A' ' 93' ' ' THR . . . -134.34 123.5 24.25 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.511 1.132 . . . . 0.0 109.204 -179.913 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . 0.4 ' CB ' ' HB3' ' A' ' 68' ' ' PHE . 5.1 t -103.45 107.59 56.45 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.47 1.106 . . . . 0.0 110.055 179.947 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -75.01 136.99 21.1 Favored 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.476 1.777 . . . . 0.0 111.026 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 68.31 10.8 60.56 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.492 1.12 . . . . 0.0 110.981 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . 0.595 ' CE2' HD23 ' A' ' 69' ' ' LEU . 76.9 t80 -127.44 136.71 52.19 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.58 0.812 . . . . 0.0 111.056 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.595 HD23 ' CE2' ' A' ' 68' ' ' PHE . 0.2 OUTLIER 66.94 47.49 1.42 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.487 1.117 . . . . 0.0 109.294 179.994 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER 54.44 26.72 7.38 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.471 1.107 . . . . 0.0 109.555 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . 0.422 ' HG3' ' N ' ' A' ' 72' ' ' LYS . 26.6 tp10 -87.93 162.41 16.91 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.571 1.17 . . . . 0.0 110.316 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . 0.422 ' N ' ' HG3' ' A' ' 71' ' ' GLU . 0.4 OUTLIER -69.95 137.81 51.8 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.443 1.089 . . . . 0.0 109.267 179.972 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.06 156.74 20.61 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.559 1.162 . . . . 0.0 109.324 179.89 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -50.45 162.09 0.26 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.479 1.112 . . . . 0.0 109.269 179.945 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 78.84 -51.66 3.82 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.531 1.144 . . . . 0.0 111.023 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -68.91 -50.93 45.26 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.519 0.776 . . . . 0.0 109.267 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' PHE . . . . . 0.431 ' CE2' ' HB2' ' A' ' 34' ' ' SER . 12.0 t80 -58.18 -26.44 62.76 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.495 1.122 . . . . 0.0 110.97 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 7.9 mt-30 -70.11 -43.66 70.58 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.523 1.139 . . . . 0.0 110.231 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.57 -26.98 62.84 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.497 1.123 . . . . 0.0 109.299 -179.934 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 80' ' ' TRP . . . . . 0.566 ' CZ3' ' HB3' ' A' ' 34' ' ' SER . 7.5 t90 . . . . . 0 C--N 1.325 -0.493 0 O-C-N 124.506 1.129 . . . . 0.0 107.99 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.251 0 N-CA-C 109.258 -0.645 . . . . 0.0 109.258 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . 0.812 HD12 ' HD2' ' A' ' 90' ' ' PRO . 1.3 tp -95.15 132.84 27.16 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.573 1.17 . . . . 0.0 109.333 179.936 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 90' ' ' PRO . . . . . 0.812 ' HD2' HD12 ' A' ' 89' ' ' LEU . 18.2 Cg_endo -75.1 128.86 11.73 Favored 'Trans proline' 0 C--N 1.361 1.205 0 O-C-N 124.484 1.781 . . . . 0.0 110.997 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 98.4 t -150.45 119.4 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.537 1.148 . . . . 0.0 109.335 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 52.4 t -105.97 129.33 59.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.511 1.132 . . . . 0.0 109.361 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 93' ' ' THR . . . . . 0.409 ' HA ' ' O ' ' A' ' 64' ' ' ALA . 1.7 p -108.97 112.14 24.18 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.49 1.119 . . . . 0.0 110.425 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 94' ' ' ASP . . . . . 0.476 ' OD2' HD12 ' A' ' 99' ' ' ILE . 62.6 t0 -114.69 110.76 20.24 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.532 1.145 . . . . 0.0 109.318 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 38.8 t-20 -59.0 116.25 3.68 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.543 1.152 . . . . 0.0 109.308 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 87.91 -21.16 24.82 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.461 1.101 . . . . 0.0 110.99 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 66.87 68.04 1.79 Allowed Glycine 0 CA--C 1.531 1.032 0 N-CA-C 111.027 -0.829 . . . . 0.0 111.027 179.909 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 98' ' ' THR . . . . . 0.501 ' O ' ' CB ' ' A' ' 102' ' ' SER . 1.5 m -61.45 -32.71 72.7 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.604 0.826 . . . . 0.0 110.437 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 99' ' ' ILE . . . . . 0.476 HD12 ' OD2' ' A' ' 94' ' ' ASP . 2.9 mt -78.54 -35.75 19.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 O-C-N 124.45 1.094 . . . . 0.0 109.318 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -70.39 -51.95 26.0 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.532 1.145 . . . . 0.0 109.309 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 11.0 pt20 -68.23 -28.31 67.12 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.437 1.085 . . . . 0.0 110.267 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 102' ' ' SER . . . . . 0.501 ' CB ' ' O ' ' A' ' 98' ' ' THR . 2.1 t -60.8 -39.61 89.56 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.503 1.127 . . . . 0.0 109.998 179.919 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . 0.687 HD13 HD12 ' A' ' 123' ' ' ILE . 11.1 mt -101.48 6.52 42.42 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.527 1.142 . . . . 0.0 109.299 -179.919 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 24.5 t-20 59.86 58.51 2.76 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.449 1.093 . . . . 0.0 109.338 -179.928 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 105' ' ' ILE . . . . . 0.468 ' CD1' ' CB ' ' A' ' 103' ' ' LEU . 1.7 mp -89.45 114.52 27.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.531 1.144 . . . . 0.0 109.273 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 51.8 p -138.86 25.29 2.55 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.488 1.117 . . . . 0.0 109.915 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 1.4 p -146.16 132.66 14.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 O-C-N 124.589 1.18 . . . . 0.0 109.314 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 108' ' ' TYR . . . . . 0.541 ' HA ' ' C ' ' A' ' 109' ' ' PRO . 13.8 m-30 -129.2 153.11 80.38 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.409 1.068 . . . . 0.0 111.02 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 109' ' ' PRO . . . . . 0.541 ' C ' ' HA ' ' A' ' 108' ' ' TYR . 18.1 Cg_endo -75.02 170.01 73.01 Favored 'Cis proline' 0 C--N 1.36 1.169 0 C-N-CA 120.948 -2.522 . . . . 0.0 110.957 0.004 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 110' ' ' SER . . . . . 0.416 ' O ' ' HA ' ' A' ' 30' ' ' LYS . 0.1 OUTLIER -136.84 162.7 32.5 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.507 1.13 . . . . 0.0 110.051 179.984 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 111' ' ' TRP . . . . . 0.539 ' CE3' ' HB2' ' A' ' 30' ' ' LYS . 78.4 m95 -142.5 142.77 32.31 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.537 1.148 . . . . 0.0 107.903 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 112' ' ' ALA . . . . . 0.415 ' HB3' ' HB ' ' A' ' 29' ' ' ILE . . . -135.94 135.22 39.45 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.492 1.12 . . . . 0.0 109.313 179.923 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 34.8 tp -108.5 133.41 52.69 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.459 1.1 . . . . 0.0 109.369 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 114' ' ' ILE . . . . . 0.459 ' CG2' ' HA2' ' A' ' 118' ' ' GLY . 22.2 mm -120.22 115.44 47.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 O-C-N 124.518 1.136 . . . . 0.0 109.315 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -44.88 170.52 0.01 OUTLIER Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.531 1.144 . . . . 0.0 110.98 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 1.7 ptmt -70.18 -11.14 60.69 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.422 0.719 . . . . 0.0 109.331 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -90.73 -24.27 20.45 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.511 1.132 . . . . 0.0 109.34 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 118' ' ' GLY . . . . . 0.459 ' HA2' ' CG2' ' A' ' 114' ' ' ILE . . . 104.54 20.51 10.09 Favored Glycine 0 CA--C 1.532 1.094 0 O-C-N 124.408 1.068 . . . . 0.0 110.944 179.923 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 2.3 p-10 -108.11 149.24 28.74 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.596 0.821 . . . . 0.0 109.315 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 73.9 t -54.14 111.5 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.53 1.144 . . . . 0.0 109.345 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 1.2 tp-100 -89.35 -55.04 3.82 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.483 1.114 . . . . 0.0 110.225 -179.908 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 1.8 ttm180 -154.29 153.53 31.84 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.486 1.117 . . . . 0.0 110.255 -179.936 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 123' ' ' ILE . . . . . 0.687 HD12 HD13 ' A' ' 103' ' ' LEU . 11.8 tt -122.62 134.78 64.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.425 1.078 . . . . 0.0 109.275 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 53.9 t -125.81 135.87 62.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.523 1.14 . . . . 0.0 109.295 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -118.58 117.63 29.51 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.493 1.121 . . . . 0.0 109.314 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . 129.92 -147.6 18.11 Favored Glycine 0 CA--C 1.529 0.921 0 O-C-N 124.495 1.122 . . . . 0.0 110.987 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 1.2 m -124.23 141.51 52.0 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.465 0.744 . . . . 0.0 110.011 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 128' ' ' ILE . . . . . 0.404 ' HA ' ' OE1' ' A' ' 132' ' ' GLN . 14.5 pt -116.41 165.48 11.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.477 1.111 . . . . 0.0 109.337 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 129' ' ' ASN . . . . . 0.805 ' ND2' ' HB3' ' A' ' 131' ' ' ALA . 2.3 p-10 -106.97 171.02 7.6 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.462 1.101 . . . . 0.0 109.286 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -59.58 -34.39 72.65 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.421 1.076 . . . . 0.0 110.351 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 131' ' ' ALA . . . . . 0.805 ' HB3' ' ND2' ' A' ' 129' ' ' ASN . . . -64.27 -51.75 62.0 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.435 1.084 . . . . 0.0 109.277 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 132' ' ' GLN . . . . . 0.404 ' OE1' ' HA ' ' A' ' 128' ' ' ILE . 38.3 mt-30 -50.86 -45.98 60.06 Favored 'General case' 0 C--N 1.327 -0.397 0 O-C-N 124.501 1.125 . . . . 0.0 110.264 -179.885 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -52.35 -50.05 63.11 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.455 1.097 . . . . 0.0 109.296 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 19.1 mt . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.576 1.172 . . . . 0.0 109.312 -179.952 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.655 ' O ' ' HB2' ' A' ' 17' ' ' ALA . 0.5 OUTLIER . . . . . 0 N--CA 1.454 -0.254 0 N-CA-C 109.286 -0.635 . . . . 0.0 109.286 . . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 3.9 mmtp -90.72 147.9 22.94 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.465 1.103 . . . . 0.0 109.297 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . 0.561 HG22 HG22 ' A' ' 92' ' ' VAL . 16.0 p -82.87 170.77 14.62 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.466 1.104 . . . . 0.0 110.406 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -62.65 -15.42 51.92 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.559 1.162 . . . . 0.0 109.309 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -87.8 10.46 18.37 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.382 1.051 . . . . 0.0 109.281 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 60.32 37.02 20.5 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.471 1.107 . . . . 0.0 109.33 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 3.7 mtm-85 -116.08 149.44 43.41 Favored Pre-proline 0 C--N 1.324 -0.543 0 O-C-N 124.573 1.171 . . . . 0.0 110.325 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 133.82 17.12 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.439 1.757 . . . . 0.0 111.038 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . 0.655 ' HB2' ' O ' ' A' ' 9' ' ' LEU . . . -53.8 -29.3 39.89 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.498 1.124 . . . . 0.0 109.318 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 1.8 t -51.21 -32.61 24.43 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.546 1.154 . . . . 0.0 110.035 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 85.7 t -54.23 -34.79 28.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.47 1.106 . . . . 0.0 109.263 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 27.5 m-85 -117.19 20.01 13.91 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.541 1.151 . . . . 0.0 110.979 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -113.51 121.58 44.69 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.479 1.112 . . . . 0.0 109.263 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 2.9 mmtt -117.28 129.74 56.1 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.478 1.111 . . . . 0.0 109.267 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.96 17.79 2.28 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.514 1.134 . . . . 0.0 109.284 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 2.2 p30 -144.45 18.18 1.69 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.529 1.143 . . . . 0.0 109.297 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.421 ' NZ ' ' O ' ' A' ' 57' ' ' SER . 2.1 mmtp -146.66 154.45 48.16 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.498 1.124 . . . . 0.0 109.335 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.94 145.85 32.18 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.498 1.788 . . . . 0.0 111.044 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 84.9 m -122.7 122.24 38.29 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.491 1.119 . . . . 0.0 110.427 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.568 HD12 ' HA ' ' A' ' 113' ' ' LEU . 2.8 tp -106.98 131.45 54.03 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.482 1.114 . . . . 0.0 109.275 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.772 ' HB ' ' HB3' ' A' ' 112' ' ' ALA . 2.2 mt -115.29 147.28 18.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.535 1.147 . . . . 0.0 109.31 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.504 ' HD2' ' CE2' ' A' ' 111' ' ' TRP . 14.4 tttt -138.02 114.93 10.75 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.518 1.136 . . . . 0.0 109.37 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . 0.573 ' HB3' ' CE1' ' A' ' 108' ' ' TYR . 51.0 m-85 -86.76 123.18 31.63 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.491 1.119 . . . . 0.0 111.074 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' TRP . . . . . 0.931 ' CZ3' HD11 ' A' ' 43' ' ' LEU . 3.3 p-90 -123.17 168.62 12.17 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.512 1.132 . . . . 0.0 108.01 -179.94 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . 0.788 ' HB1' ' CE2' ' A' ' 35' ' ' TRP . . . -133.5 124.01 26.22 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.466 1.104 . . . . 0.0 109.299 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . 0.561 ' OG ' ' CE3' ' A' ' 80' ' ' TRP . 0.3 OUTLIER -56.45 -21.28 24.45 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.417 1.073 . . . . 0.0 109.986 179.997 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' TRP . . . . . 0.788 ' CE2' ' HB1' ' A' ' 33' ' ' ALA . 16.2 p-90 -85.61 -21.19 28.58 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 107.988 -1.115 . . . . 0.0 107.988 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . 0.401 ' N ' ' O ' ' A' ' 33' ' ' ALA . 44.9 t -81.63 114.42 49.82 Favored Pre-proline 0 C--N 1.324 -0.514 0 O-C-N 124.551 1.157 . . . . 0.0 108.273 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.04 -41.62 0.62 Allowed 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.501 1.79 . . . . 0.0 111.027 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 1.8 tm? -59.27 -28.22 66.53 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.554 1.159 . . . . 0.0 109.302 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . 0.404 ' O ' ' N ' ' A' ' 43' ' ' LEU . 19.2 m -77.11 -53.04 8.27 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.576 1.173 . . . . 0.0 108.358 179.929 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.598 HD23 HD12 ' A' ' 43' ' ' LEU . 4.8 mt -51.38 -43.1 61.79 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.502 1.127 . . . . 0.0 109.266 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 5.3 p -69.27 -25.72 64.4 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.479 1.112 . . . . 0.0 109.997 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . 0.401 ' HG2' ' NZ ' ' A' ' 30' ' ' LYS . 1.8 tp10 -86.22 -20.81 27.96 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.521 1.138 . . . . 0.0 110.343 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.931 HD11 ' CZ3' ' A' ' 32' ' ' TRP . 60.2 mt -51.95 -54.82 25.11 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.544 1.153 . . . . 0.0 109.292 -179.929 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -48.88 -49.97 27.69 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.595 1.184 . . . . 0.0 110.982 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -57.28 -35.78 70.2 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.511 0.771 . . . . 0.0 110.348 179.917 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 86.7 m -70.16 -39.44 75.32 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.476 1.11 . . . . 0.0 110.425 179.934 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . 0.487 ' OE1' HD12 ' A' ' 89' ' ' LEU . 4.4 tt0 -53.81 -42.18 68.11 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.506 1.128 . . . . 0.0 110.326 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -71.88 -36.63 70.12 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.567 1.167 . . . . 0.0 109.286 179.915 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' TRP . . . . . . . . . . . . . 39.2 m0 -64.49 -34.71 78.84 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 107.998 -1.112 . . . . 0.0 107.998 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -70.14 -8.74 52.12 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.555 1.159 . . . . 0.0 109.32 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 59.4 mt-30 -111.57 -12.2 13.96 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.449 1.093 . . . . 0.0 110.322 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . 0.454 ' HB3' ' CD2' ' A' ' 55' ' ' PHE . 34.5 t0 -63.2 120.55 11.72 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.502 1.126 . . . . 0.0 109.262 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -56.05 -43.49 77.95 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.405 1.066 . . . . 0.0 109.285 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.99 -46.64 71.79 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.527 1.142 . . . . 0.0 109.351 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . 0.454 ' CD2' ' HB3' ' A' ' 52' ' ' ASP . 16.1 m-30 -77.64 -28.97 51.49 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.518 1.136 . . . . 0.0 111.002 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . 0.433 ' O ' ' N ' ' A' ' 58' ' ' ALA . 69.1 m -46.73 -40.4 13.34 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.449 1.093 . . . . 0.0 109.945 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . 0.421 ' O ' ' NZ ' ' A' ' 25' ' ' LYS . 13.7 t -39.39 -29.69 0.05 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.568 1.167 . . . . 0.0 110.04 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . 0.433 ' N ' ' O ' ' A' ' 56' ' ' SER . . . -123.92 166.16 16.15 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.555 1.159 . . . . 0.0 109.304 -179.95 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 28.6 m-20 -88.36 128.64 35.51 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.421 1.075 . . . . 0.0 109.322 179.925 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.768 HD23 ' N ' ' A' ' 61' ' ' ILE . 3.0 tt -120.84 125.06 46.56 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.558 1.161 . . . . 0.0 109.301 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.768 ' N ' HD23 ' A' ' 60' ' ' LEU . 2.9 pt -154.92 162.42 1.86 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.468 1.105 . . . . 0.0 109.348 179.89 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . 0.498 ' HB ' ' CD1' ' A' ' 32' ' ' TRP . 35.1 p -111.07 155.12 23.27 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.514 1.134 . . . . 0.0 110.356 -179.865 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . 0.461 HG23 HG23 ' A' ' 29' ' ' ILE . 2.2 t -121.53 143.71 33.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.572 1.17 . . . . 0.0 109.236 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . 0.613 ' CB ' ' CZ ' ' A' ' 77' ' ' PHE . . . -134.68 137.3 43.45 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.591 1.182 . . . . 0.0 109.265 179.949 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . 0.465 ' CB ' ' HB3' ' A' ' 68' ' ' PHE . 1.5 m -111.97 108.12 55.67 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.419 1.074 . . . . 0.0 110.013 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . 0.461 ' HA ' ' O ' ' A' ' 72' ' ' LYS . 18.3 Cg_endo -74.9 134.7 18.31 Favored 'Trans proline' 0 C--N 1.361 1.214 0 O-C-N 124.478 1.778 . . . . 0.0 111.047 179.942 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 66.55 8.15 44.58 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.585 1.178 . . . . 0.0 111.04 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . 0.672 ' CE2' HD23 ' A' ' 69' ' ' LEU . 75.1 t80 -126.01 130.32 50.96 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.472 0.748 . . . . 0.0 111.08 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.672 HD23 ' CE2' ' A' ' 68' ' ' PHE . 0.3 OUTLIER 76.79 23.84 0.99 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.53 1.144 . . . . 0.0 109.346 -179.907 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 31.6 m170 66.78 22.39 10.3 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.424 1.077 . . . . 0.0 109.588 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . 0.42 ' OE2' ' CD1' ' A' ' 35' ' ' TRP . 0.3 OUTLIER -86.13 149.7 24.94 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.548 1.155 . . . . 0.0 110.27 179.981 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . 0.461 ' O ' ' HA ' ' A' ' 66' ' ' PRO . 3.6 mmtt -38.89 154.72 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.501 1.126 . . . . 0.0 109.268 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -84.58 156.79 21.45 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.437 1.086 . . . . 0.0 109.363 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -49.11 143.98 5.38 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.529 1.143 . . . . 0.0 109.228 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 80.87 -50.7 4.18 Favored Glycine 0 CA--C 1.531 1.055 0 O-C-N 124.419 1.074 . . . . 0.0 111.031 179.924 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -69.24 -31.52 70.14 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.554 0.797 . . . . 0.0 109.212 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' PHE . . . . . 0.613 ' CZ ' ' CB ' ' A' ' 64' ' ' ALA . 17.4 t80 -77.52 -57.09 4.01 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.518 1.136 . . . . 0.0 111.051 179.926 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 18.2 pt20 -52.39 -25.97 11.26 Favored 'General case' 0 C--N 1.327 -0.404 0 O-C-N 124.564 1.165 . . . . 0.0 110.325 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 1.2 mttt -64.97 -47.72 76.59 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.428 1.08 . . . . 0.0 109.307 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 80' ' ' TRP . . . . . 0.561 ' CE3' ' OG ' ' A' ' 34' ' ' SER . 3.5 t90 . . . . . 0 C--N 1.325 -0.47 0 N-CA-C 107.997 -1.112 . . . . 0.0 107.997 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 28.5 mmtt . . . . . 0 N--CA 1.453 -0.293 0 N-CA-C 109.344 -0.613 . . . . 0.0 109.344 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . 0.679 HD23 ' HD2' ' A' ' 90' ' ' PRO . 0.4 OUTLIER -76.72 119.64 78.27 Favored Pre-proline 0 C--N 1.324 -0.522 0 O-C-N 124.501 1.126 . . . . 0.0 109.303 -180.0 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 90' ' ' PRO . . . . . 0.679 ' HD2' HD23 ' A' ' 89' ' ' LEU . 18.7 Cg_endo -75.0 128.55 11.57 Favored 'Trans proline' 0 C--N 1.359 1.109 0 O-C-N 124.541 1.811 . . . . 0.0 111.012 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 55.5 t -143.93 126.94 12.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.528 1.142 . . . . 0.0 109.285 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . 0.561 HG22 HG22 ' A' ' 11' ' ' THR . 78.0 t -115.78 140.97 35.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.561 1.163 . . . . 0.0 109.304 179.917 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 3.1 p -120.45 115.87 24.34 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.437 1.086 . . . . 0.0 110.336 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 94' ' ' ASP . . . . . 0.446 ' HB2' ' CD1' ' A' ' 9' ' ' LEU . 68.1 t0 -114.66 110.33 19.59 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.444 1.09 . . . . 0.0 109.349 179.887 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 14.5 t-20 -59.57 112.49 1.81 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.577 1.173 . . . . 0.0 109.236 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 88.65 -29.17 5.92 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.477 1.111 . . . . 0.0 110.977 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 76.37 71.41 1.18 Allowed Glycine 0 CA--C 1.529 0.934 0 N-CA-C 111.006 -0.838 . . . . 0.0 111.006 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 2.0 m -57.76 -40.16 79.11 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.48 0.753 . . . . 0.0 110.453 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 3.8 mt -81.42 -38.28 16.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.497 1.123 . . . . 0.0 109.297 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 100' ' ' ALA . . . . . 0.68 ' HA ' HD12 ' A' ' 105' ' ' ILE . . . -63.57 -44.98 92.49 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.578 1.174 . . . . 0.0 109.319 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 7.6 pt20 -73.89 -35.63 64.71 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.483 1.114 . . . . 0.0 110.356 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 1.1 m -61.35 -34.54 75.46 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.467 1.104 . . . . 0.0 109.93 -179.899 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 73.2 mt -99.96 12.33 37.08 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.471 1.107 . . . . 0.0 109.298 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 14.8 t-20 46.84 52.9 10.97 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.424 1.078 . . . . 0.0 109.307 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 105' ' ' ILE . . . . . 0.68 HD12 ' HA ' ' A' ' 100' ' ' ALA . 64.5 mt -88.62 129.44 39.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 O-C-N 124.582 1.176 . . . . 0.0 109.302 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 106' ' ' SER . . . . . 0.629 ' HA ' HD21 ' A' ' 69' ' ' LEU . 24.5 p -157.19 33.3 0.29 Allowed 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.494 1.122 . . . . 0.0 109.969 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 2.5 p -148.14 132.66 9.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.485 1.115 . . . . 0.0 109.257 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 108' ' ' TYR . . . . . 0.573 ' CE1' ' HB3' ' A' ' 31' ' ' PHE . 21.4 m-85 -130.88 152.46 80.65 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.513 1.133 . . . . 0.0 111.047 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 109' ' ' PRO . . . . . 0.531 ' C ' ' HA ' ' A' ' 108' ' ' TYR . 18.3 Cg_endo -75.12 159.2 98.23 Favored 'Cis proline' 0 C--N 1.36 1.14 0 C-N-CA 120.928 -2.53 . . . . 0.0 111.015 0.105 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 110' ' ' SER . . . . . 0.408 ' O ' ' HA ' ' A' ' 30' ' ' LYS . 0.4 OUTLIER -134.17 157.57 45.89 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.434 1.084 . . . . 0.0 109.966 -179.887 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 111' ' ' TRP . . . . . 0.504 ' CE2' ' HD2' ' A' ' 30' ' ' LYS . 67.0 m95 -131.18 141.04 50.02 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 107.976 -1.12 . . . . 0.0 107.976 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 112' ' ' ALA . . . . . 0.772 ' HB3' ' HB ' ' A' ' 29' ' ' ILE . . . -130.14 131.7 45.78 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.487 1.117 . . . . 0.0 109.263 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 113' ' ' LEU . . . . . 0.568 ' HA ' HD12 ' A' ' 28' ' ' LEU . 11.3 tp -108.43 132.92 53.29 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.463 1.102 . . . . 0.0 109.312 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 114' ' ' ILE . . . . . 0.728 HD13 ' HA ' ' A' ' 120' ' ' VAL . 43.8 mm -121.05 111.54 32.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.454 1.096 . . . . 0.0 109.325 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 115' ' ' GLY . . . . . 0.439 ' CA ' ' HG3' ' A' ' 121' ' ' GLN . . . -41.66 164.38 0.02 OUTLIER Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.567 1.167 . . . . 0.0 111.073 179.936 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.98 -12.2 47.44 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.53 0.782 . . . . 0.0 109.247 -179.932 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -81.64 -23.97 36.63 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.5 1.125 . . . . 0.0 109.298 -179.95 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . 99.29 34.95 4.9 Favored Glycine 0 CA--C 1.529 0.938 0 O-C-N 124.558 1.161 . . . . 0.0 111.013 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 1.6 p-10 -131.27 158.49 40.47 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.46 0.741 . . . . 0.0 109.3 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 120' ' ' VAL . . . . . 0.728 ' HA ' HD13 ' A' ' 114' ' ' ILE . 90.9 t -57.99 120.07 3.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.468 1.105 . . . . 0.0 109.287 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 121' ' ' GLN . . . . . 0.535 ' HB3' HD23 ' A' ' 113' ' ' LEU . 0.0 OUTLIER -100.58 -59.88 1.62 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.497 1.123 . . . . 0.0 110.284 -179.973 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -150.53 138.71 20.25 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.523 1.139 . . . . 0.0 110.392 179.926 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 123' ' ' ILE . . . . . 0.494 HD11 HG12 ' A' ' 105' ' ' ILE . 16.5 tt -111.64 127.66 68.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.55 1.156 . . . . 0.0 109.314 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 74.8 t -113.33 137.39 46.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.457 1.098 . . . . 0.0 109.267 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 12.5 pttt -105.97 134.74 48.61 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.505 1.128 . . . . 0.0 109.311 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . 104.5 -147.71 16.51 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.509 1.13 . . . . 0.0 110.988 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -123.15 155.93 36.04 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.444 0.732 . . . . 0.0 109.942 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 128' ' ' ILE . . . . . . . . . . . . . 15.1 pt -126.84 166.62 23.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 O-C-N 124.48 1.112 . . . . 0.0 109.284 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 129' ' ' ASN . . . . . . . . . . . . . 3.3 p30 -108.58 169.32 8.72 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.488 1.117 . . . . 0.0 109.323 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -51.17 -45.73 61.85 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.469 1.105 . . . . 0.0 110.375 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -50.79 -53.99 27.28 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.463 1.102 . . . . 0.0 109.306 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 8.2 mt-30 -50.93 -48.44 60.75 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.507 1.13 . . . . 0.0 110.259 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -49.8 -46.79 51.26 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.599 1.187 . . . . 0.0 109.299 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 42.8 mt . . . . . 0 C--N 1.324 -0.507 0 O-C-N 124.48 1.113 . . . . 0.0 109.292 179.989 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.865 ' O ' ' HB2' ' A' ' 17' ' ' ALA . 4.6 mm? . . . . . 0 N--CA 1.454 -0.255 0 N-CA-C 109.294 -0.632 . . . . 0.0 109.294 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . 0.417 ' HA ' ' O ' ' A' ' 15' ' ' ARG . 2.1 mttp -81.46 145.32 30.81 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.517 1.136 . . . . 0.0 109.377 179.948 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 25.4 p -79.18 170.98 15.84 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.482 1.114 . . . . 0.0 110.455 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -63.45 -12.28 30.21 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.516 1.135 . . . . 0.0 109.361 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . 0.439 ' OD1' ' N ' ' A' ' 13' ' ' ASP . 0.0 OUTLIER -98.64 26.34 5.68 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.544 1.153 . . . . 0.0 109.297 179.996 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 49.32 35.5 7.87 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.557 1.16 . . . . 0.0 109.238 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . 0.417 ' O ' ' HA ' ' A' ' 10' ' ' LYS . 0.0 OUTLIER -109.73 147.82 36.92 Favored Pre-proline 0 C--N 1.324 -0.517 0 O-C-N 124.542 1.151 . . . . 0.0 110.277 179.976 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . 0.465 ' HG2' HG23 ' A' ' 19' ' ' VAL . 18.4 Cg_endo -75.01 130.88 13.67 Favored 'Trans proline' 0 C--N 1.361 1.205 0 O-C-N 124.514 1.797 . . . . 0.0 111.007 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . 0.865 ' HB2' ' O ' ' A' ' 9' ' ' LEU . . . -57.84 -30.91 66.15 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.505 1.128 . . . . 0.0 109.358 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 8.6 t -49.63 -31.49 10.93 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.479 1.112 . . . . 0.0 109.939 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.465 HG23 ' HG2' ' A' ' 16' ' ' PRO . 94.0 t -57.74 -27.42 30.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.455 1.097 . . . . 0.0 109.355 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 13.1 m-85 -103.94 22.17 15.06 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.485 1.116 . . . . 0.0 110.994 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.484 HD11 HG21 ' A' ' 27' ' ' THR . 2.4 mp -146.37 102.87 3.64 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.5 1.125 . . . . 0.0 109.332 179.939 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 9.3 ptmt -176.29 177.86 1.45 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.493 1.121 . . . . 0.0 109.285 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 69.23 24.63 5.92 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.506 1.129 . . . . 0.0 109.23 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 61.0 m-20 47.05 36.24 4.04 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.591 1.182 . . . . 0.0 109.304 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.412 ' HD2' ' CD ' ' A' ' 26' ' ' PRO . 7.2 mmtm -100.35 159.26 30.21 Favored Pre-proline 0 C--N 1.323 -0.556 0 O-C-N 124.522 1.139 . . . . 0.0 109.336 -179.911 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . 0.412 ' CD ' ' HD2' ' A' ' 25' ' ' LYS . 18.2 Cg_endo -74.94 154.34 42.75 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.54 1.81 . . . . 0.0 110.968 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . 0.484 HG21 HD11 ' A' ' 21' ' ' LEU . 91.4 m -128.56 135.18 49.02 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.486 1.116 . . . . 0.0 110.44 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 4.9 tp -113.73 134.94 54.45 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.447 1.092 . . . . 0.0 109.336 179.906 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.436 HG23 HG23 ' A' ' 63' ' ' VAL . 5.6 mm -115.14 146.74 19.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.517 1.136 . . . . 0.0 109.342 179.942 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.573 ' HB2' ' CE3' ' A' ' 111' ' ' TRP . 24.5 tttt -138.8 122.08 17.05 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.501 1.125 . . . . 0.0 109.328 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . 0.684 ' CZ ' ' CD1' ' A' ' 105' ' ' ILE . 49.0 m-85 -93.86 131.38 39.32 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.445 1.09 . . . . 0.0 110.979 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' TRP . . . . . 1.046 ' CZ3' HD11 ' A' ' 43' ' ' LEU . 12.7 p-90 -138.37 170.9 15.21 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.512 1.133 . . . . 0.0 107.991 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -134.06 153.61 51.69 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.434 1.084 . . . . 0.0 109.247 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . 0.514 ' O ' HD11 ' A' ' 40' ' ' LEU . 0.5 OUTLIER -78.21 -32.29 49.84 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.469 1.106 . . . . 0.0 110.028 -179.971 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 51.1 p-90 -78.48 -3.86 45.62 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 107.999 -1.111 . . . . 0.0 107.999 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . 0.592 ' O ' HD12 ' A' ' 40' ' ' LEU . 41.8 t -98.63 118.1 63.61 Favored Pre-proline 0 C--N 1.324 -0.527 0 O-C-N 124.56 1.163 . . . . 0.0 108.276 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.98 -54.29 0.09 OUTLIER 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.472 1.775 . . . . 0.0 111.008 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -47.68 -30.55 3.87 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.472 1.108 . . . . 0.0 109.312 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 1.3 m -74.59 -56.75 4.48 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.504 1.127 . . . . 0.0 108.398 179.877 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.592 HD12 ' O ' ' A' ' 36' ' ' CYS . 0.4 OUTLIER -51.04 -41.04 59.61 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.522 1.139 . . . . 0.0 109.356 179.935 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 3.4 m -72.36 -25.79 61.66 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.491 1.119 . . . . 0.0 110.009 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 13.0 tt0 -82.73 -19.23 38.35 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.502 1.126 . . . . 0.0 110.375 179.921 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 1.046 HD11 ' CZ3' ' A' ' 32' ' ' TRP . 13.5 mt -56.89 -54.86 41.71 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.393 1.058 . . . . 0.0 109.313 179.945 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -48.34 -50.75 22.81 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.425 1.078 . . . . 0.0 110.975 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . 0.472 ' HG2' ' CZ2' ' A' ' 49' ' ' TRP . 2.0 tp-100 -66.19 -32.3 73.65 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.484 0.756 . . . . 0.0 110.393 179.9 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 4.1 m -70.1 -28.94 65.81 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.553 1.158 . . . . 0.0 110.393 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 31.1 tt0 -73.99 -34.46 64.21 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.408 1.067 . . . . 0.0 110.284 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 26.1 tttt -78.18 -37.29 46.05 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.585 1.178 . . . . 0.0 109.313 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' TRP . . . . . 0.48 ' HB3' ' CE2' ' A' ' 55' ' ' PHE . 45.4 m0 -65.73 -34.31 77.9 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 107.94 -1.133 . . . . 0.0 107.94 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.813 ' HB2' HD22 ' A' ' 60' ' ' LEU . . . -74.23 -9.0 58.18 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.48 1.112 . . . . 0.0 109.348 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 9.7 mm100 -104.04 -14.7 15.83 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.493 1.121 . . . . 0.0 110.344 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 2.6 t0 -63.61 137.2 58.01 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.475 1.109 . . . . 0.0 109.336 179.919 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -60.23 -46.79 88.56 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.504 1.127 . . . . 0.0 109.277 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.29 -39.74 60.89 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.502 1.126 . . . . 0.0 109.275 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . 0.673 ' CZ ' ' CB ' ' A' ' 133' ' ' ALA . 1.2 m-85 -77.05 -28.52 54.77 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.427 1.079 . . . . 0.0 111.03 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . 0.409 ' O ' ' C ' ' A' ' 57' ' ' SER . 3.2 t -49.5 -40.25 36.87 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.486 1.116 . . . . 0.0 110.006 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . 0.409 ' C ' ' O ' ' A' ' 56' ' ' SER . 32.5 t -38.5 -58.46 1.03 Allowed 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.515 1.134 . . . . 0.0 110.051 179.93 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -101.92 165.74 11.02 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.442 1.088 . . . . 0.0 109.344 179.908 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 3.8 m-20 -88.98 124.75 34.55 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.497 1.123 . . . . 0.0 109.289 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.813 HD22 ' HB2' ' A' ' 50' ' ' ALA . 7.8 tt -112.91 125.89 54.87 Favored 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.471 1.107 . . . . 0.0 109.277 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.524 HD12 HG21 ' A' ' 92' ' ' VAL . 16.1 pt -151.83 160.83 3.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.486 1.116 . . . . 0.0 109.256 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 36.6 p -114.64 154.65 28.0 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.49 1.119 . . . . 0.0 110.345 -179.934 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . 0.436 HG23 HG23 ' A' ' 29' ' ' ILE . 2.4 t -123.97 145.68 30.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.406 1.067 . . . . 0.0 109.284 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . 0.466 ' N ' ' O ' ' A' ' 92' ' ' VAL . . . -134.3 149.53 50.91 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.525 1.141 . . . . 0.0 109.338 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . 0.475 ' CB ' ' HB3' ' A' ' 68' ' ' PHE . 9.1 m -121.81 108.97 34.42 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.45 1.094 . . . . 0.0 109.925 -179.929 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . 0.416 ' HD2' ' O ' ' A' ' 94' ' ' ASP . 18.2 Cg_endo -75.06 138.65 23.17 Favored 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.526 1.803 . . . . 0.0 110.989 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 62.83 12.46 42.19 Favored Glycine 0 CA--C 1.531 1.083 0 O-C-N 124.5 1.125 . . . . 0.0 111.034 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . 0.988 ' CE2' HD23 ' A' ' 69' ' ' LEU . 71.6 t80 -121.17 130.63 53.81 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.483 0.755 . . . . 0.0 110.992 -179.867 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.988 HD23 ' CE2' ' A' ' 68' ' ' PHE . 1.2 mm? 71.38 43.49 0.61 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.529 1.143 . . . . 0.0 109.294 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 1.9 t60 59.44 18.29 6.72 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.524 1.14 . . . . 0.0 109.569 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . 0.427 ' HA ' ' OE1' ' A' ' 71' ' ' GLU . 4.0 tp10 -84.2 149.99 25.78 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.537 1.148 . . . . 0.0 110.303 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . 0.412 ' N ' ' HG3' ' A' ' 71' ' ' GLU . 2.1 mttt -49.16 138.37 12.37 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.424 1.078 . . . . 0.0 109.289 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 15.6 mttp -64.59 165.72 9.7 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.469 1.106 . . . . 0.0 109.361 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -52.57 156.49 1.84 Allowed 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.545 1.153 . . . . 0.0 109.32 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . 0.412 ' CA ' ' HG3' ' A' ' 78' ' ' GLN . . . 77.3 -52.48 3.41 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.385 1.053 . . . . 0.0 110.932 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -57.37 -54.28 48.58 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.496 0.762 . . . . 0.0 109.288 -179.898 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 80.8 t80 -59.32 -28.83 67.16 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.534 1.146 . . . . 0.0 110.929 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' GLN . . . . . 0.412 ' HG3' ' CA ' ' A' ' 75' ' ' GLY . 5.5 mt-30 -69.22 -29.26 67.17 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.378 1.048 . . . . 0.0 110.238 -179.914 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.57 -41.25 69.26 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.125 . . . . 0.0 109.142 -179.92 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 80' ' ' TRP . . . . . 0.435 ' CZ3' ' HB3' ' A' ' 34' ' ' SER . 3.4 t90 . . . . . 0 C--N 1.324 -0.517 0 N-CA-C 107.969 -1.123 . . . . 0.0 107.969 -179.908 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 10.8 mmtm . . . . . 0 N--CA 1.453 -0.32 0 N-CA-C 109.277 -0.638 . . . . 0.0 109.277 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . 0.788 HD12 ' HD2' ' A' ' 90' ' ' PRO . 4.3 tp -116.45 124.07 29.91 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.52 1.137 . . . . 0.0 109.365 179.918 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 90' ' ' PRO . . . . . 0.788 ' HD2' HD12 ' A' ' 89' ' ' LEU . 18.4 Cg_endo -75.02 127.02 10.33 Favored 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.431 1.753 . . . . 0.0 111.032 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 15.5 t -140.54 118.92 10.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.509 1.13 . . . . 0.0 109.243 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . 0.524 HG21 HD12 ' A' ' 61' ' ' ILE . 43.9 t -107.91 143.26 18.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.473 1.108 . . . . 0.0 109.32 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 10.8 p -121.6 120.13 33.9 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.47 1.106 . . . . 0.0 110.33 -179.936 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 94' ' ' ASP . . . . . 0.525 ' HB2' HD11 ' A' ' 9' ' ' LEU . 50.2 t0 -115.15 109.97 18.82 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.515 1.134 . . . . 0.0 109.284 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 1.3 m120 -61.03 109.01 0.97 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.52 1.137 . . . . 0.0 109.271 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 88.93 -24.56 12.45 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.478 1.111 . . . . 0.0 111.049 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 72.29 77.48 0.55 Allowed Glycine 0 CA--C 1.529 0.952 0 N-CA-C 111.026 -0.83 . . . . 0.0 111.026 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 3.4 m -64.9 -43.74 91.88 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.456 0.739 . . . . 0.0 110.353 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 3.5 mt -76.63 -36.05 26.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.495 1.122 . . . . 0.0 109.308 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -62.14 -42.71 99.51 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.483 1.115 . . . . 0.0 109.328 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -80.54 -36.55 32.93 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.591 1.182 . . . . 0.0 110.268 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 47.7 t -65.98 -29.35 69.72 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.597 1.185 . . . . 0.0 109.993 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . 0.432 HD21 HG21 ' A' ' 120' ' ' VAL . 27.4 mt -92.12 -13.09 31.28 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.501 1.126 . . . . 0.0 109.35 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 13.4 t-20 68.74 40.71 1.73 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.538 1.149 . . . . 0.0 109.279 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 105' ' ' ILE . . . . . 0.699 HG22 ' H ' ' A' ' 107' ' ' VAL . 47.8 mt -74.76 -86.04 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.484 1.115 . . . . 0.0 109.306 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 66.1 p 53.77 23.47 3.78 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.5 1.125 . . . . 0.0 109.964 179.914 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 107' ' ' VAL . . . . . 0.699 ' H ' HG22 ' A' ' 105' ' ' ILE . 2.8 p -144.46 131.77 16.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.573 1.17 . . . . 0.0 109.285 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 108' ' ' TYR . . . . . 0.579 ' CE1' ' HB3' ' A' ' 31' ' ' PHE . 12.6 m-85 -131.83 152.52 80.47 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.43 1.081 . . . . 0.0 110.994 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 109' ' ' PRO . . . . . 0.523 ' C ' ' HA ' ' A' ' 108' ' ' TYR . 18.1 Cg_endo -75.05 170.06 72.87 Favored 'Cis proline' 0 C--N 1.36 1.156 0 C-N-CA 121.052 -2.478 . . . . 0.0 110.952 0.067 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 110' ' ' SER . . . . . 0.412 ' O ' ' HA ' ' A' ' 30' ' ' LYS . 8.0 m -155.28 149.4 25.79 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.491 1.119 . . . . 0.0 109.998 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 111' ' ' TRP . . . . . 0.573 ' CE3' ' HB2' ' A' ' 30' ' ' LYS . 64.6 m95 -128.49 137.46 51.8 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.532 1.145 . . . . 0.0 108.062 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -129.19 143.19 50.77 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.489 1.118 . . . . 0.0 109.368 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 113' ' ' LEU . . . . . 0.549 ' O ' HD13 ' A' ' 114' ' ' ILE . 21.5 tp -108.78 133.98 52.09 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.439 1.087 . . . . 0.0 109.251 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 114' ' ' ILE . . . . . 0.549 HD13 ' O ' ' A' ' 113' ' ' LEU . 5.4 mm -122.88 108.91 22.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 O-C-N 124.415 1.072 . . . . 0.0 109.333 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -47.81 173.53 0.03 OUTLIER Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.453 1.096 . . . . 0.0 111.01 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.16 -17.85 64.98 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.448 0.734 . . . . 0.0 109.27 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -75.38 -23.81 57.14 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.495 1.122 . . . . 0.0 109.257 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . 97.73 22.64 15.5 Favored Glycine 0 CA--C 1.531 1.068 0 O-C-N 124.463 1.102 . . . . 0.0 110.943 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 2.1 p30 -120.66 145.45 47.43 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.554 0.797 . . . . 0.0 109.27 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 120' ' ' VAL . . . . . 0.458 HG22 ' CD1' ' A' ' 114' ' ' ILE . 94.3 t -55.33 116.34 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 O-C-N 124.395 1.06 . . . . 0.0 109.356 179.942 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 121' ' ' GLN . . . . . 0.474 ' HG3' HD23 ' A' ' 113' ' ' LEU . 8.4 pt20 -101.89 -32.27 10.3 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.545 1.153 . . . . 0.0 110.365 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 21.7 ttt180 -149.2 141.7 24.33 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.547 1.155 . . . . 0.0 110.309 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 123' ' ' ILE . . . . . 0.416 HD12 HD13 ' A' ' 103' ' ' LEU . 3.4 tt -122.46 135.05 63.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.459 1.099 . . . . 0.0 109.294 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 37.1 t -128.47 138.55 54.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.548 1.155 . . . . 0.0 109.369 179.924 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 4.1 mtmp? -118.19 116.66 27.27 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.426 1.079 . . . . 0.0 109.323 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . 126.41 -155.7 19.55 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.558 1.161 . . . . 0.0 111.065 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -113.73 163.74 14.62 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.472 0.748 . . . . 0.0 110.035 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 128' ' ' ILE . . . . . 0.414 ' HA ' ' OE1' ' A' ' 132' ' ' GLN . 13.4 pt -143.63 167.22 13.19 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 O-C-N 124.551 1.157 . . . . 0.0 109.309 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 129' ' ' ASN . . . . . . . . . . . . . 3.7 p30 -108.46 168.22 9.48 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.504 1.127 . . . . 0.0 109.267 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 34.7 tt0 -57.2 -27.18 61.74 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.441 1.088 . . . . 0.0 110.284 -179.919 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -68.47 -51.67 40.91 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.543 1.152 . . . . 0.0 109.292 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 132' ' ' GLN . . . . . 0.414 ' OE1' ' HA ' ' A' ' 128' ' ' ILE . 3.0 mt-30 -51.0 -45.68 61.23 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.576 1.173 . . . . 0.0 110.261 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 133' ' ' ALA . . . . . 0.673 ' CB ' ' CZ ' ' A' ' 55' ' ' PHE . . . -55.74 -50.29 70.79 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.578 1.174 . . . . 0.0 109.327 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 2.6 mt . . . . . 0 C--N 1.325 -0.457 0 O-C-N 124.455 1.097 . . . . 0.0 109.358 179.953 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.442 ' HA ' HD23 ' A' ' 9' ' ' LEU . 10.9 mt . . . . . 0 N--CA 1.453 -0.308 0 N-CA-C 109.223 -0.658 . . . . 0.0 109.223 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -131.88 160.47 35.59 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.462 1.101 . . . . 0.0 109.337 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . 0.743 HG22 HG22 ' A' ' 92' ' ' VAL . 35.7 p -92.76 179.05 5.59 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.501 1.125 . . . . 0.0 110.358 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -64.17 -14.11 52.98 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.39 1.056 . . . . 0.0 109.306 179.925 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -97.17 15.17 23.44 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.561 1.163 . . . . 0.0 109.299 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 56.6 28.96 14.78 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.468 1.105 . . . . 0.0 109.304 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -101.88 157.78 33.03 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.416 1.073 . . . . 0.0 110.349 179.946 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 125.97 9.68 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.433 1.754 . . . . 0.0 111.02 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -60.63 -34.9 74.94 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.539 1.15 . . . . 0.0 109.318 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 8.5 t -50.73 -29.82 12.35 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.488 1.118 . . . . 0.0 110.041 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -61.73 -35.87 70.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.432 1.083 . . . . 0.0 109.322 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 20.8 m-85 -94.87 19.71 9.82 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.551 1.157 . . . . 0.0 111.055 179.93 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -119.28 120.27 36.5 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.391 1.057 . . . . 0.0 109.29 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . 0.405 ' O ' ' N ' ' A' ' 24' ' ' ASP . 0.0 OUTLIER -97.44 106.07 18.32 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.522 1.139 . . . . 0.0 109.358 179.924 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.22 56.45 0.15 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.517 1.136 . . . . 0.0 109.335 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . 0.405 ' N ' ' O ' ' A' ' 22' ' ' LYS . 0.5 OUTLIER 169.32 37.68 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.524 1.14 . . . . 0.0 109.269 -179.932 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -170.47 162.87 6.04 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.547 1.154 . . . . 0.0 109.28 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.91 142.92 28.75 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.465 1.771 . . . . 0.0 111.041 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 23.9 m -117.4 124.93 50.07 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.532 1.145 . . . . 0.0 110.334 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.572 HD12 ' O ' ' A' ' 112' ' ' ALA . 15.1 tp -107.97 128.15 54.39 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.443 1.089 . . . . 0.0 109.34 179.943 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.584 HD11 HG13 ' A' ' 114' ' ' ILE . 2.5 mt -107.62 150.41 10.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.529 1.143 . . . . 0.0 109.279 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.491 ' HD2' ' CZ2' ' A' ' 111' ' ' TRP . 2.7 tttp -138.79 110.67 7.2 Favored 'General case' 0 C--N 1.326 -0.415 0 O-C-N 124.484 1.115 . . . . 0.0 109.232 -179.94 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . 0.58 ' HB3' ' CE1' ' A' ' 108' ' ' TYR . 62.6 m-85 -83.47 126.52 32.86 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.566 1.166 . . . . 0.0 111.019 179.921 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' TRP . . . . . 0.531 ' CE2' HD11 ' A' ' 43' ' ' LEU . 5.2 p-90 -134.31 167.03 21.46 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.477 1.11 . . . . 0.0 108.034 179.895 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . 0.436 ' HB3' ' HB2' ' A' ' 36' ' ' CYS . . . -138.86 138.79 37.8 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.495 1.122 . . . . 0.0 109.259 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -61.86 -43.83 98.05 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.124 . . . . 0.0 110.075 179.933 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 31.2 p-90 -65.04 -19.35 65.95 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 107.98 -1.119 . . . . 0.0 107.98 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . 0.436 ' HB2' ' HB3' ' A' ' 33' ' ' ALA . 43.0 t -83.63 116.0 62.38 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.436 1.085 . . . . 0.0 108.294 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -54.31 0.09 OUTLIER 'Trans proline' 0 C--N 1.361 1.222 0 O-C-N 124.461 1.769 . . . . 0.0 111.017 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -47.96 -32.7 6.76 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.519 1.137 . . . . 0.0 109.313 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 4.1 m -68.61 -57.45 5.71 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.494 1.121 . . . . 0.0 108.245 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 16.9 mt -50.83 -52.18 43.9 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.502 1.126 . . . . 0.0 109.24 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.3 p -52.4 -25.32 9.59 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.558 1.161 . . . . 0.0 110.034 -179.913 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -93.36 -32.14 14.38 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.503 1.127 . . . . 0.0 110.343 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.531 HD11 ' CE2' ' A' ' 32' ' ' TRP . 0.2 OUTLIER -44.17 -54.43 5.63 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.533 1.146 . . . . 0.0 109.391 179.929 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -52.48 -52.87 34.91 Favored Glycine 0 CA--C 1.529 0.925 0 O-C-N 124.485 1.116 . . . . 0.0 111.035 179.879 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . 0.559 ' CD ' ' CZ2' ' A' ' 49' ' ' TRP . 43.9 tt0 -62.07 -30.02 70.7 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.442 0.73 . . . . 0.0 110.326 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 98.3 m -68.67 -38.89 80.73 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.553 1.158 . . . . 0.0 110.428 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 17.7 tt0 -60.98 -37.68 83.31 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.474 1.109 . . . . 0.0 110.281 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 5.4 ttpt -78.52 -37.52 42.85 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.489 1.118 . . . . 0.0 109.301 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' TRP . . . . . 0.559 ' CZ2' ' CD ' ' A' ' 45' ' ' GLN . 34.4 m0 -60.87 -31.47 70.94 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 107.952 -1.129 . . . . 0.0 107.952 -179.947 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -74.26 -8.88 57.77 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.616 1.197 . . . . 0.0 109.305 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 4.9 mt-30 -101.14 -10.6 20.28 Favored 'General case' 0 C--N 1.326 -0.413 0 O-C-N 124.485 1.115 . . . . 0.0 110.319 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 4.1 t70 -67.58 124.63 23.76 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.46 1.1 . . . . 0.0 109.286 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -52.21 -45.53 65.27 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.434 1.084 . . . . 0.0 109.287 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . 0.665 ' HG3' HD22 ' A' ' 134' ' ' LEU . 0.0 OUTLIER -50.17 -47.18 54.6 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.446 1.091 . . . . 0.0 109.352 -179.979 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . 0.658 ' CE1' HD12 ' A' ' 60' ' ' LEU . 0.6 OUTLIER -67.88 -28.09 67.23 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.377 1.048 . . . . 0.0 111.067 179.961 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . 0.403 ' O ' ' C ' ' A' ' 57' ' ' SER . 1.0 OUTLIER -46.52 -40.25 12.25 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.464 1.103 . . . . 0.0 109.939 179.995 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . 0.403 ' C ' ' O ' ' A' ' 56' ' ' SER . 69.8 m -39.42 -62.97 0.61 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.523 1.14 . . . . 0.0 109.987 -179.908 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . 0.406 ' O ' ' O ' ' A' ' 55' ' ' PHE . . . -100.65 165.99 11.12 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.529 1.143 . . . . 0.0 109.197 -179.941 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 67.6 m-80 -89.03 131.72 35.08 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.52 1.138 . . . . 0.0 109.241 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.727 HD23 ' N ' ' A' ' 61' ' ' ILE . 3.4 tt -118.39 127.03 53.29 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.48 1.113 . . . . 0.0 109.268 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.727 ' N ' HD23 ' A' ' 60' ' ' LEU . 0.9 OUTLIER -151.73 160.93 3.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 O-C-N 124.581 1.175 . . . . 0.0 109.237 179.995 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . 0.505 ' HB ' ' CD1' ' A' ' 32' ' ' TRP . 41.5 p -115.72 150.05 37.46 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.455 1.097 . . . . 0.0 110.395 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . 0.403 HG23 HG23 ' A' ' 29' ' ' ILE . 3.4 t -123.79 145.24 31.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.439 1.087 . . . . 0.0 109.309 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . 0.411 ' N ' ' O ' ' A' ' 92' ' ' VAL . . . -132.9 149.7 52.23 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.457 1.098 . . . . 0.0 109.33 179.909 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 2.6 p -126.62 108.92 22.96 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.49 1.119 . . . . 0.0 109.962 -179.934 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . 0.41 ' HD2' ' O ' ' A' ' 94' ' ' ASP . 18.5 Cg_endo -74.92 131.38 14.32 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.485 1.782 . . . . 0.0 111.094 179.903 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 86.62 -14.5 55.44 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.495 1.122 . . . . 0.0 110.991 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . 0.439 ' O ' ' HB2' ' A' ' 71' ' ' GLU . 0.5 OUTLIER -98.86 131.46 44.94 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.452 0.736 . . . . 0.0 111.035 -179.987 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 1.069 HD22 ' CE2' ' A' ' 108' ' ' TYR . 11.0 mp 66.84 14.54 9.85 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.564 1.165 . . . . 0.0 109.275 -179.951 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER 74.84 43.08 0.24 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.522 1.139 . . . . 0.0 109.595 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . 0.439 ' HB2' ' O ' ' A' ' 68' ' ' PHE . 0.2 OUTLIER -94.56 142.36 27.53 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.488 1.117 . . . . 0.0 110.317 180.0 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -42.28 119.98 1.52 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.45 1.094 . . . . 0.0 109.311 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 6.0 tptm -62.41 151.67 36.37 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.613 1.196 . . . . 0.0 109.402 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -44.82 141.59 2.08 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.481 1.113 . . . . 0.0 109.277 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . 0.491 ' CA ' ' HG2' ' A' ' 78' ' ' GLN . . . 91.71 -50.35 2.89 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.556 1.16 . . . . 0.0 110.99 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -71.64 -35.0 70.27 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.535 0.786 . . . . 0.0 109.34 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 33.7 t80 -71.86 -29.75 64.7 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.522 1.139 . . . . 0.0 111.062 179.913 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 78' ' ' GLN . . . . . 0.491 ' HG2' ' CA ' ' A' ' 75' ' ' GLY . 2.8 mm100 -68.43 -36.85 79.65 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.483 1.115 . . . . 0.0 110.313 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 9.1 mttt -61.01 -39.22 88.9 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.535 1.147 . . . . 0.0 109.276 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 80' ' ' TRP . . . . . . . . . . . . . 2.6 t90 . . . . . 0 C--N 1.325 -0.498 0 N-CA-C 108.02 -1.104 . . . . 0.0 108.02 -179.969 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 17.5 mttt . . . . . 0 N--CA 1.453 -0.284 0 N-CA-C 109.33 -0.618 . . . . 0.0 109.33 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . 0.534 HD12 ' HD2' ' A' ' 90' ' ' PRO . 1.9 tp -123.18 119.79 27.51 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.433 1.083 . . . . 0.0 109.369 179.946 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 90' ' ' PRO . . . . . 0.534 ' HD2' HD12 ' A' ' 89' ' ' LEU . 18.5 Cg_endo -74.92 127.34 10.67 Favored 'Trans proline' 0 C--N 1.358 1.062 0 O-C-N 124.432 1.754 . . . . 0.0 111.021 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . 0.43 ' O ' ' HB ' ' A' ' 11' ' ' THR . 7.5 t -145.8 117.94 2.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.473 1.108 . . . . 0.0 109.273 -179.938 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . 0.743 HG22 HG22 ' A' ' 11' ' ' THR . 46.3 t -112.14 134.21 55.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.57 1.169 . . . . 0.0 109.238 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 93' ' ' THR . . . . . 0.424 ' O ' HD22 ' A' ' 9' ' ' LEU . 4.7 p -108.24 116.43 31.94 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.532 1.145 . . . . 0.0 110.322 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 94' ' ' ASP . . . . . 0.415 ' CG ' HD11 ' A' ' 9' ' ' LEU . 59.8 t0 -109.59 110.5 21.59 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.555 1.16 . . . . 0.0 109.344 179.907 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 41.3 t-20 -58.77 113.54 2.09 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.466 1.104 . . . . 0.0 109.331 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 87.25 -21.23 21.95 Favored Glycine 0 CA--C 1.529 0.946 0 O-C-N 124.532 1.145 . . . . 0.0 110.977 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 66.8 74.38 0.55 Allowed Glycine 0 CA--C 1.53 0.975 0 N-CA-C 111.018 -0.833 . . . . 0.0 111.018 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 98' ' ' THR . . . . . 0.463 ' O ' ' CB ' ' A' ' 102' ' ' SER . 1.0 OUTLIER -69.2 -29.2 67.12 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.491 0.759 . . . . 0.0 110.43 179.962 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 3.3 mt -77.54 -36.13 22.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.485 1.115 . . . . 0.0 109.288 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 100' ' ' ALA . . . . . 0.529 ' HA ' HD12 ' A' ' 105' ' ' ILE . . . -70.28 -39.78 74.69 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.415 1.072 . . . . 0.0 109.322 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 7.2 pt20 -80.11 -31.87 39.11 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.514 1.134 . . . . 0.0 110.3 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 102' ' ' SER . . . . . 0.463 ' CB ' ' O ' ' A' ' 98' ' ' THR . 11.1 t -63.57 -32.71 74.25 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.526 1.141 . . . . 0.0 109.99 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . 0.638 HD21 HG11 ' A' ' 120' ' ' VAL . 7.6 mt -100.58 -8.05 23.4 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.513 1.133 . . . . 0.0 109.318 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 37.0 t30 62.07 62.01 1.27 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.552 1.157 . . . . 0.0 109.231 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 105' ' ' ILE . . . . . 0.75 ' O ' HG12 ' A' ' 107' ' ' VAL . 8.3 mt -94.83 -73.54 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.546 1.154 . . . . 0.0 109.315 179.951 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 106' ' ' SER . . . . . 0.767 ' C ' HD21 ' A' ' 69' ' ' LEU . 26.5 p 53.05 27.34 5.62 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.51 1.131 . . . . 0.0 109.978 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 107' ' ' VAL . . . . . 0.75 HG12 ' O ' ' A' ' 105' ' ' ILE . 2.4 p -148.51 131.97 8.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.431 1.082 . . . . 0.0 109.339 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 108' ' ' TYR . . . . . 1.069 ' CE2' HD22 ' A' ' 69' ' ' LEU . 15.8 m-85 -131.36 152.98 81.48 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.555 1.16 . . . . 0.0 110.994 -179.932 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 109' ' ' PRO . . . . . 0.526 ' C ' ' HA ' ' A' ' 108' ' ' TYR . 18.2 Cg_endo -74.99 173.59 57.08 Favored 'Cis proline' 0 C--N 1.36 1.181 0 C-N-CA 121.047 -2.48 . . . . 0.0 110.997 -0.014 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 110' ' ' SER . . . . . 0.428 ' O ' ' HA ' ' A' ' 30' ' ' LYS . 0.0 OUTLIER -155.59 154.04 31.06 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.576 1.173 . . . . 0.0 109.971 179.964 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 111' ' ' TRP . . . . . 0.491 ' CZ2' ' HD2' ' A' ' 30' ' ' LYS . 61.5 m95 -124.69 137.97 54.32 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.547 1.154 . . . . 0.0 107.992 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 112' ' ' ALA . . . . . 0.579 ' HB3' ' HB ' ' A' ' 29' ' ' ILE . . . -129.52 136.32 49.71 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.482 1.114 . . . . 0.0 109.283 -179.949 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 23.9 tp -108.64 133.72 52.35 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.415 1.072 . . . . 0.0 109.225 -179.931 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 114' ' ' ILE . . . . . 0.584 HG13 HD11 ' A' ' 29' ' ' ILE . 5.0 mm -122.13 119.42 58.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.491 1.119 . . . . 0.0 109.228 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 115' ' ' GLY . . . . . 0.453 ' CA ' ' HG3' ' A' ' 121' ' ' GLN . . . -49.99 164.51 0.61 Allowed Glycine 0 CA--C 1.529 0.945 0 O-C-N 124.518 1.136 . . . . 0.0 110.934 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.61 -15.08 63.41 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.47 0.747 . . . . 0.0 109.276 -179.946 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -78.83 -22.53 46.02 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.492 1.12 . . . . 0.0 109.294 179.952 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . 101.42 28.02 6.95 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.478 1.111 . . . . 0.0 110.969 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 3.1 p-10 -126.17 153.13 45.07 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.577 0.81 . . . . 0.0 109.311 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 120' ' ' VAL . . . . . 0.638 HG11 HD21 ' A' ' 103' ' ' LEU . 70.3 t -52.68 118.5 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.554 1.159 . . . . 0.0 109.304 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 121' ' ' GLN . . . . . 0.453 ' HG3' ' CA ' ' A' ' 115' ' ' GLY . 0.0 OUTLIER -96.01 -56.69 2.57 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.58 1.175 . . . . 0.0 110.39 179.941 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -151.7 150.7 30.52 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.535 1.147 . . . . 0.0 110.316 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 123' ' ' ILE . . . . . 0.474 HD12 HD22 ' A' ' 103' ' ' LEU . 14.0 tt -116.44 141.94 32.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 O-C-N 124.476 1.11 . . . . 0.0 109.318 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 16.0 t -134.24 130.34 54.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.469 1.106 . . . . 0.0 109.334 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -115.64 131.68 56.86 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.48 1.112 . . . . 0.0 109.254 -179.933 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . 121.87 -153.63 16.76 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.439 1.087 . . . . 0.0 111.008 -180.0 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -125.68 141.42 52.02 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.548 0.793 . . . . 0.0 109.938 -179.93 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 128' ' ' ILE . . . . . 0.446 HG22 ' OE1' ' A' ' 132' ' ' GLN . 4.1 pt -120.49 163.08 18.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.463 1.102 . . . . 0.0 109.323 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 129' ' ' ASN . . . . . . . . . . . . . 1.8 p30 -108.0 165.41 11.49 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.572 1.17 . . . . 0.0 109.344 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 130' ' ' GLU . . . . . 0.476 ' OE1' ' CD1' ' A' ' 49' ' ' TRP . 1.4 tt0 -51.24 -33.77 29.44 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.45 1.094 . . . . 0.0 110.318 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -56.99 -54.79 42.75 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.551 1.157 . . . . 0.0 109.289 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 132' ' ' GLN . . . . . 0.446 ' OE1' HG22 ' A' ' 128' ' ' ILE . 5.6 mt-30 -51.24 -48.0 62.23 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.482 1.114 . . . . 0.0 110.277 179.947 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 133' ' ' ALA . . . . . 0.468 ' HB1' ' CZ ' ' A' ' 55' ' ' PHE . . . -52.74 -45.87 67.21 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.526 1.142 . . . . 0.0 109.281 -179.942 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 134' ' ' LEU . . . . . 0.665 HD22 ' HG3' ' A' ' 54' ' ' LYS . 61.1 mt . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.475 1.109 . . . . 0.0 109.366 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 49.4 mt . . . . . 0 N--CA 1.453 -0.302 0 N-CA-C 109.376 -0.601 . . . . 0.0 109.376 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . 0.419 ' HA ' ' O ' ' A' ' 15' ' ' ARG . 11.0 mttt -133.83 150.58 51.41 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.508 1.13 . . . . 0.0 109.197 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . 0.415 ' HA ' ' O ' ' A' ' 91' ' ' VAL . 37.9 p -83.63 -179.13 7.24 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.475 1.11 . . . . 0.0 110.45 179.929 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -75.37 -3.52 34.09 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.531 1.144 . . . . 0.0 109.287 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -104.99 18.16 22.86 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.515 1.134 . . . . 0.0 109.313 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 58.8 33.41 23.04 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.516 1.135 . . . . 0.0 109.29 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . 0.419 ' O ' ' HA ' ' A' ' 10' ' ' LYS . 0.0 OUTLIER -108.57 146.05 32.88 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.46 1.1 . . . . 0.0 110.276 179.997 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . 0.48 ' HG2' HG23 ' A' ' 19' ' ' VAL . 18.3 Cg_endo -75.03 136.6 20.55 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.575 1.829 . . . . 0.0 110.962 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -70.68 -27.9 64.37 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.426 1.079 . . . . 0.0 109.352 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . 0.616 ' HA ' HD23 ' A' ' 21' ' ' LEU . 55.0 p -56.18 -18.38 10.0 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.501 1.125 . . . . 0.0 110.05 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.48 HG23 ' HG2' ' A' ' 16' ' ' PRO . 73.8 t -62.29 -31.21 50.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.395 1.06 . . . . 0.0 109.222 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 23.3 m-85 -121.75 28.81 7.44 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.506 1.129 . . . . 0.0 110.932 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.616 HD23 ' HA ' ' A' ' 18' ' ' SER . 0.4 OUTLIER -71.21 100.75 2.15 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.487 1.117 . . . . 0.0 109.199 -179.962 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . 0.551 ' CD ' ' O ' ' A' ' 25' ' ' LYS . 0.1 OUTLIER -39.6 98.58 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.47 1.106 . . . . 0.0 109.248 179.983 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.551 ' O ' ' CB ' ' A' ' 24' ' ' ASP . 17.7 tttt -67.04 64.86 0.06 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.461 1.101 . . . . 0.0 109.256 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . 0.551 ' CB ' ' O ' ' A' ' 23' ' ' LYS . 3.2 t70 85.82 31.22 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.52 1.137 . . . . 0.0 109.274 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.551 ' O ' ' CD ' ' A' ' 22' ' ' LYS . 15.2 mtpt -124.23 165.2 25.5 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.526 1.141 . . . . 0.0 109.296 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . 0.407 ' HD2' ' HB3' ' A' ' 25' ' ' LYS . 18.0 Cg_endo -75.0 134.48 17.86 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.451 1.764 . . . . 0.0 110.915 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . 0.429 ' CB ' ' HG2' ' A' ' 22' ' ' LYS . 0.9 OUTLIER -121.04 143.01 49.28 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.535 1.147 . . . . 0.0 110.401 -179.993 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.903 HD12 ' O ' ' A' ' 112' ' ' ALA . 25.1 tp -122.93 129.98 52.26 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.518 1.136 . . . . 0.0 109.324 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.532 ' HB ' ' HB3' ' A' ' 112' ' ' ALA . 2.2 mp -107.02 152.91 8.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.42 1.075 . . . . 0.0 109.346 179.934 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.477 ' NZ ' ' CZ2' ' A' ' 111' ' ' TRP . 10.3 tptm -139.0 109.76 6.68 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.605 1.191 . . . . 0.0 109.267 -179.945 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . 0.584 ' HB3' ' CE1' ' A' ' 108' ' ' TYR . 66.3 m-85 -80.87 131.72 35.4 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.504 1.127 . . . . 0.0 110.985 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' TRP . . . . . 0.996 ' CZ3' HD11 ' A' ' 43' ' ' LEU . 5.8 p-90 -141.26 167.21 22.73 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 107.984 -1.117 . . . . 0.0 107.984 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -134.02 147.85 51.01 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.549 1.155 . . . . 0.0 109.244 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . 0.589 ' OG ' ' CZ3' ' A' ' 80' ' ' TRP . 47.7 t -73.74 -18.59 60.97 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.452 1.095 . . . . 0.0 109.978 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 20.7 p-90 -91.18 -12.46 35.31 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.568 1.167 . . . . 0.0 107.935 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 34.5 t -86.35 114.81 59.46 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.526 1.141 . . . . 0.0 108.317 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . 0.461 ' HA ' HD12 ' A' ' 40' ' ' LEU . 18.4 Cg_endo -74.92 -48.42 0.18 Allowed 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.455 1.766 . . . . 0.0 111.002 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.406 ' HG ' ' N ' ' A' ' 39' ' ' CYS . 0.3 OUTLIER -52.19 -34.61 46.06 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.488 1.117 . . . . 0.0 109.292 -179.888 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . 0.406 ' N ' ' HG ' ' A' ' 38' ' ' LEU . 57.0 m -73.48 -43.47 60.1 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.523 1.139 . . . . 0.0 108.288 179.951 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.694 HD21 ' HH2' ' A' ' 80' ' ' TRP . 13.8 mt -51.3 -47.65 62.54 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.563 1.165 . . . . 0.0 109.264 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 2.6 p -70.44 -25.3 63.13 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.545 1.153 . . . . 0.0 110.011 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -77.7 -24.98 49.11 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.56 1.163 . . . . 0.0 110.279 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.996 HD11 ' CZ3' ' A' ' 32' ' ' TRP . 19.2 mt -50.55 -54.79 19.79 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.578 1.174 . . . . 0.0 109.343 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -53.1 -54.17 30.48 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.523 1.139 . . . . 0.0 110.961 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -61.1 -30.52 70.41 Favored 'General case' 0 C--N 1.327 -0.407 0 O-C-N 124.506 0.768 . . . . 0.0 110.327 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 51.9 m -69.12 -37.25 78.24 Favored 'General case' 0 C--N 1.327 -0.396 0 O-C-N 124.593 1.183 . . . . 0.0 110.438 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 13.8 tt0 -69.85 -37.42 76.13 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.462 1.101 . . . . 0.0 110.303 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -69.31 -33.11 72.65 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.436 1.085 . . . . 0.0 109.296 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' TRP . . . . . 0.408 ' HB3' ' CE2' ' A' ' 55' ' ' PHE . 46.9 m0 -76.26 -28.11 56.95 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 108.028 -1.101 . . . . 0.0 108.028 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -74.35 -8.94 57.95 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.524 1.14 . . . . 0.0 109.279 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -103.82 -17.08 15.2 Favored 'General case' 0 C--N 1.323 -0.554 0 O-C-N 124.569 1.168 . . . . 0.0 110.342 179.945 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.9 t0 -57.32 129.43 41.78 Favored 'General case' 0 C--N 1.327 -0.404 0 O-C-N 124.436 1.085 . . . . 0.0 109.296 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -58.37 -48.91 79.1 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.488 1.118 . . . . 0.0 109.263 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -49.2 -38.78 27.3 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.509 1.131 . . . . 0.0 109.302 -179.921 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . 0.764 ' CE1' HD12 ' A' ' 60' ' ' LEU . 0.1 OUTLIER -75.21 -28.55 60.01 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.467 1.105 . . . . 0.0 110.932 179.993 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -46.51 -40.16 12.07 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.476 1.11 . . . . 0.0 110.021 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 33.1 t -39.8 -55.22 2.0 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.47 1.106 . . . . 0.0 109.967 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . 0.404 ' O ' ' O ' ' A' ' 55' ' ' PHE . . . -106.97 165.78 11.09 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.534 1.147 . . . . 0.0 109.291 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 2.0 m-20 -89.04 130.08 35.56 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.407 1.067 . . . . 0.0 109.292 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.764 HD12 ' CE1' ' A' ' 55' ' ' PHE . 4.7 tt -116.72 125.93 52.4 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.57 1.169 . . . . 0.0 109.305 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.624 ' N ' HD23 ' A' ' 60' ' ' LEU . 1.8 pp -153.93 162.32 2.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 O-C-N 124.511 1.132 . . . . 0.0 109.343 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . 0.537 ' HB ' ' CD1' ' A' ' 32' ' ' TRP . 55.1 p -111.82 147.6 35.38 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.5 1.125 . . . . 0.0 110.391 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 2.1 t -116.65 144.11 25.17 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.441 1.088 . . . . 0.0 109.272 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -134.66 146.47 49.54 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.564 1.165 . . . . 0.0 109.355 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . 0.424 ' HG ' ' HD1' ' A' ' 68' ' ' PHE . 68.6 p -120.36 108.14 38.25 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.463 1.102 . . . . 0.0 109.937 -179.887 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.94 136.67 20.84 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.482 1.78 . . . . 0.0 111.028 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 72.11 6.18 63.91 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.483 1.114 . . . . 0.0 110.964 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . 0.424 ' HD1' ' HG ' ' A' ' 65' ' ' SER . 51.7 t80 -118.64 126.88 52.91 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.475 0.75 . . . . 0.0 110.998 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 1.2 tp 69.12 48.31 0.69 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.485 1.115 . . . . 0.0 109.314 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER 51.52 23.61 1.92 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.535 1.147 . . . . 0.0 109.633 179.947 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . 0.424 ' HG3' ' N ' ' A' ' 72' ' ' LYS . 6.5 tp10 -77.41 151.08 34.96 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.49 1.118 . . . . 0.0 110.348 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . 0.424 ' N ' ' HG3' ' A' ' 71' ' ' GLU . 0.0 OUTLIER -53.84 131.84 40.55 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.528 1.142 . . . . 0.0 109.329 179.966 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 1.6 tttt -62.58 148.1 47.13 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.447 1.092 . . . . 0.0 109.288 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -50.34 150.78 2.4 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.463 1.102 . . . . 0.0 109.314 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . 0.409 ' CA ' ' HG2' ' A' ' 78' ' ' GLN . . . 86.27 -48.91 4.0 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.401 1.063 . . . . 0.0 111.016 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -70.93 -36.09 72.51 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.577 0.81 . . . . 0.0 109.277 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 77' ' ' PHE . . . . . 0.474 ' CD1' ' C ' ' A' ' 77' ' ' PHE . 0.7 OUTLIER -77.5 -57.17 3.97 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.451 1.094 . . . . 0.0 111.005 179.963 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 78' ' ' GLN . . . . . 0.409 ' HG2' ' CA ' ' A' ' 75' ' ' GLY . 19.2 pt20 -50.94 -25.34 4.51 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.534 1.146 . . . . 0.0 110.33 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 9.0 mtpt -77.82 -49.02 15.14 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.531 1.145 . . . . 0.0 109.299 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 80' ' ' TRP . . . . . 0.694 ' HH2' HD21 ' A' ' 40' ' ' LEU . 14.2 t90 . . . . . 0 C--N 1.325 -0.468 0 O-C-N 124.462 1.101 . . . . 0.0 108.035 179.876 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 12.9 mttp . . . . . 0 N--CA 1.452 -0.372 0 N-CA-C 109.274 -0.639 . . . . 0.0 109.274 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . 0.954 HD12 ' HD2' ' A' ' 90' ' ' PRO . 6.9 tp -98.71 128.3 33.05 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.576 1.172 . . . . 0.0 109.276 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 90' ' ' PRO . . . . . 0.954 ' HD2' HD12 ' A' ' 89' ' ' LEU . 18.6 Cg_endo -74.89 128.15 11.33 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.542 1.812 . . . . 0.0 111.07 179.924 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . 0.415 ' O ' ' HA ' ' A' ' 11' ' ' THR . 12.2 t -143.56 121.66 6.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 O-C-N 124.562 1.164 . . . . 0.0 109.348 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . 0.59 HG21 HD13 ' A' ' 61' ' ' ILE . 99.5 t -115.94 128.56 73.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.548 1.155 . . . . 0.0 109.266 -179.953 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 3.2 p -105.72 116.21 31.55 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.532 1.145 . . . . 0.0 110.402 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 53.5 t0 -113.94 111.74 22.19 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.52 1.137 . . . . 0.0 109.322 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 24.5 t-20 -56.82 118.07 4.56 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.518 1.136 . . . . 0.0 109.251 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 88.65 -21.71 24.76 Favored Glycine 0 CA--C 1.531 1.092 0 O-C-N 124.498 1.124 . . . . 0.0 110.896 179.914 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 71.8 55.84 7.03 Favored Glycine 0 CA--C 1.529 0.966 0 N-CA-C 110.948 -0.861 . . . . 0.0 110.948 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 3.4 m -52.54 -32.22 39.65 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.424 0.72 . . . . 0.0 110.287 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 99' ' ' ILE . . . . . 0.774 ' N ' HD13 ' A' ' 99' ' ' ILE . 1.2 mm -70.14 -37.49 72.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.52 1.137 . . . . 0.0 109.368 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 100' ' ' ALA . . . . . 0.486 ' HA ' HD12 ' A' ' 105' ' ' ILE . . . -76.95 -40.05 48.4 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.474 1.108 . . . . 0.0 109.275 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 1.6 mt-30 -72.4 -33.87 67.47 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.128 . . . . 0.0 110.219 -179.951 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 3.3 m -65.34 -35.44 80.98 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.528 1.143 . . . . 0.0 109.965 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . 0.684 HD21 HG11 ' A' ' 120' ' ' VAL . 39.9 mt -104.74 12.41 32.81 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.444 1.09 . . . . 0.0 109.321 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 14.4 t30 43.87 70.46 0.32 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.506 1.129 . . . . 0.0 109.324 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 105' ' ' ILE . . . . . 0.486 HD12 ' HA ' ' A' ' 100' ' ' ALA . 68.5 mt -109.2 151.66 11.46 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 O-C-N 124.465 1.103 . . . . 0.0 109.285 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 8.9 p -162.88 29.83 0.1 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.474 1.109 . . . . 0.0 110.025 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 2.0 p -147.26 132.3 11.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.456 1.097 . . . . 0.0 109.275 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 108' ' ' TYR . . . . . 0.584 ' CE1' ' HB3' ' A' ' 31' ' ' PHE . 22.7 m-85 -130.77 152.91 81.34 Favored Pre-proline 0 C--N 1.324 -0.532 0 O-C-N 124.488 1.117 . . . . 0.0 111.006 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 109' ' ' PRO . . . . . 0.536 ' C ' ' HA ' ' A' ' 108' ' ' TYR . 18.4 Cg_endo -74.86 171.99 65.11 Favored 'Cis proline' 0 C--N 1.36 1.174 0 C-N-CA 121.014 -2.494 . . . . 0.0 111.028 -0.121 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 110' ' ' SER . . . . . 0.407 ' O ' ' HA ' ' A' ' 30' ' ' LYS . 0.4 OUTLIER -146.27 164.16 33.2 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.526 1.141 . . . . 0.0 110.081 179.864 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 111' ' ' TRP . . . . . 0.477 ' CZ2' ' NZ ' ' A' ' 30' ' ' LYS . 58.6 m95 -134.66 138.13 44.19 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.515 1.135 . . . . 0.0 108.017 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 112' ' ' ALA . . . . . 0.903 ' O ' HD12 ' A' ' 28' ' ' LEU . . . -129.16 138.27 51.67 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.437 1.086 . . . . 0.0 109.261 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 113' ' ' LEU . . . . . 0.58 HD23 ' HB3' ' A' ' 121' ' ' GLN . 15.2 tp -108.41 136.28 48.29 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.42 1.075 . . . . 0.0 109.352 179.938 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 114' ' ' ILE . . . . . 0.513 HG13 HD11 ' A' ' 29' ' ' ILE . 4.7 mm -122.15 118.99 57.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.446 1.091 . . . . 0.0 109.343 179.936 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 115' ' ' GLY . . . . . 0.408 ' N ' ' HB2' ' A' ' 121' ' ' GLN . . . -51.69 164.58 1.19 Allowed Glycine 0 CA--C 1.531 1.067 0 O-C-N 124.43 1.081 . . . . 0.0 111.012 -179.957 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.83 -9.88 48.23 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.598 0.822 . . . . 0.0 109.33 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -87.19 -23.35 24.82 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.551 1.157 . . . . 0.0 109.297 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . 103.85 25.9 6.99 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.539 1.149 . . . . 0.0 110.948 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 20.1 p-10 -122.6 158.71 29.36 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.487 0.757 . . . . 0.0 109.321 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 120' ' ' VAL . . . . . 0.684 HG11 HD21 ' A' ' 103' ' ' LEU . 63.7 t -57.79 117.14 1.41 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.595 1.184 . . . . 0.0 109.321 -179.929 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 121' ' ' GLN . . . . . 0.58 ' HB3' HD23 ' A' ' 113' ' ' LEU . 8.1 tt0 -94.44 -49.19 5.79 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.489 1.118 . . . . 0.0 110.252 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -155.7 155.1 32.56 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.501 1.126 . . . . 0.0 110.298 -179.952 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 123' ' ' ILE . . . . . 0.504 HD12 HD13 ' A' ' 103' ' ' LEU . 7.8 tt -123.55 137.77 55.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.468 1.105 . . . . 0.0 109.293 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 96.2 t -128.86 137.64 56.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.503 1.127 . . . . 0.0 109.339 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -115.79 125.41 52.69 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.539 1.15 . . . . 0.0 109.296 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . 116.61 -149.4 18.78 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.554 1.159 . . . . 0.0 111.082 -179.928 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -122.02 161.16 23.48 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.512 0.771 . . . . 0.0 110.017 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 128' ' ' ILE . . . . . 0.572 HG22 ' CD ' ' A' ' 132' ' ' GLN . 10.0 pt -135.36 166.59 27.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.501 1.126 . . . . 0.0 109.227 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 129' ' ' ASN . . . . . 0.437 ' OD1' ' HB3' ' A' ' 131' ' ' ALA . 1.0 OUTLIER -107.12 166.47 10.6 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.551 1.157 . . . . 0.0 109.253 -179.985 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 18.3 tt0 -51.93 -36.31 48.73 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.485 1.116 . . . . 0.0 110.272 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 131' ' ' ALA . . . . . 0.437 ' HB3' ' OD1' ' A' ' 129' ' ' ASN . . . -61.28 -51.03 70.6 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.46 1.1 . . . . 0.0 109.274 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 132' ' ' GLN . . . . . 0.572 ' CD ' HG22 ' A' ' 128' ' ' ILE . 4.0 mt-30 -50.94 -44.61 60.41 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.414 1.071 . . . . 0.0 110.275 -179.925 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -53.03 -46.41 68.44 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.41 1.069 . . . . 0.0 109.3 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 9.0 mt . . . . . 0 C--N 1.325 -0.458 0 O-C-N 124.456 1.097 . . . . 0.0 109.251 -179.963 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.633 HD12 ' HA ' ' A' ' 94' ' ' ASP . 2.2 mm? . . . . . 0 N--CA 1.454 -0.273 0 N-CA-C 109.278 -0.638 . . . . 0.0 109.278 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 28.9 mttm -113.7 155.76 25.0 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.546 1.154 . . . . 0.0 109.328 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 14.7 p -82.59 -178.6 7.14 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.488 1.118 . . . . 0.0 110.355 -179.947 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -70.32 -9.18 55.38 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.536 1.148 . . . . 0.0 109.392 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -101.01 23.58 10.54 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.561 1.163 . . . . 0.0 109.354 179.947 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 50.3 33.68 7.79 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.523 1.139 . . . . 0.0 109.244 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 11.0 mmt85 -110.39 160.32 28.88 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.577 1.173 . . . . 0.0 110.312 179.93 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . 0.494 ' HG2' HG23 ' A' ' 19' ' ' VAL . 18.2 Cg_endo -75.04 139.44 24.17 Favored 'Trans proline' 0 C--N 1.358 1.074 0 O-C-N 124.547 1.814 . . . . 0.0 110.938 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -74.07 -21.63 59.85 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.48 1.112 . . . . 0.0 109.326 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 97.2 p -59.58 -26.33 65.33 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.513 1.133 . . . . 0.0 110.026 179.905 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.494 HG23 ' HG2' ' A' ' 16' ' ' PRO . 39.9 t -67.51 -20.41 26.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 O-C-N 124.468 1.105 . . . . 0.0 109.322 -179.906 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 35.0 m-85 -120.22 21.71 11.65 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.504 1.128 . . . . 0.0 110.961 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -129.43 107.04 9.19 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.426 1.079 . . . . 0.0 109.271 179.941 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 15.7 tptt -100.36 125.95 46.66 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.445 1.091 . . . . 0.0 109.303 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 2.1 tttt -85.38 16.74 3.51 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.432 1.083 . . . . 0.0 109.313 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 14.3 t70 -133.51 9.2 3.97 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.532 1.145 . . . . 0.0 109.249 -179.933 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 1.3 mmmt -148.37 159.74 38.38 Favored Pre-proline 0 C--N 1.324 -0.531 0 O-C-N 124.492 1.12 . . . . 0.0 109.343 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 141.98 27.39 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.474 1.776 . . . . 0.0 110.989 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 41.9 m -122.32 123.19 40.83 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.416 1.072 . . . . 0.0 110.322 -179.94 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 12.0 tp -102.02 127.68 48.79 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.573 1.171 . . . . 0.0 109.322 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.492 ' HB ' ' HB3' ' A' ' 112' ' ' ALA . 2.8 mt -108.69 148.7 12.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.474 1.109 . . . . 0.0 109.269 -179.93 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.479 ' HG3' ' CE2' ' A' ' 111' ' ' TRP . 0.6 OUTLIER -138.63 120.96 15.94 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.533 1.145 . . . . 0.0 109.275 -179.971 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . 0.612 ' CZ ' HD12 ' A' ' 105' ' ' ILE . 55.9 m-85 -92.32 129.77 38.18 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.552 1.157 . . . . 0.0 110.989 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' TRP . . . . . 0.722 ' CE2' HD11 ' A' ' 43' ' ' LEU . 13.1 p-90 -137.26 171.94 13.74 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.529 1.143 . . . . 0.0 108.004 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -135.78 153.94 51.37 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.526 1.142 . . . . 0.0 109.34 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . 0.502 ' OG ' ' CE3' ' A' ' 80' ' ' TRP . 31.0 t -80.73 -23.54 39.39 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.544 1.153 . . . . 0.0 109.938 -179.903 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 51.2 p-90 -83.76 -2.9 57.26 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.583 1.177 . . . . 0.0 108.022 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 46.2 t -100.75 108.73 55.16 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.556 1.16 . . . . 0.0 108.305 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.9 -37.47 2.09 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.42 1.748 . . . . 0.0 111.104 179.923 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.451 ' O ' HD22 ' A' ' 38' ' ' LEU . 1.7 tm? -62.15 -29.69 70.52 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.543 1.152 . . . . 0.0 109.324 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . 0.469 ' O ' HD23 ' A' ' 43' ' ' LEU . 4.3 m -78.61 -46.31 19.61 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.43 1.081 . . . . 0.0 108.291 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 30.4 mt -51.61 -46.12 63.45 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.46 1.1 . . . . 0.0 109.335 179.913 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 24.0 p -63.49 -25.2 68.15 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.49 1.118 . . . . 0.0 110.049 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -88.9 -27.27 21.1 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.46 1.1 . . . . 0.0 110.246 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.722 HD11 ' CE2' ' A' ' 32' ' ' TRP . 0.1 OUTLIER -50.7 -44.95 58.14 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.44 1.088 . . . . 0.0 109.363 179.982 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -60.31 -50.61 65.74 Favored Glycine 0 CA--C 1.532 1.111 0 O-C-N 124.44 1.088 . . . . 0.0 110.991 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 4.9 tp-100 -61.05 -30.53 70.38 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.537 0.786 . . . . 0.0 110.3 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 23.8 m -65.79 -34.15 77.51 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.493 1.121 . . . . 0.0 110.494 179.928 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . 0.425 ' OE2' ' N ' ' A' ' 89' ' ' LEU . 58.8 tt0 -71.14 -31.39 67.67 Favored 'General case' 0 C--N 1.327 -0.413 0 O-C-N 124.466 1.104 . . . . 0.0 110.246 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 1.3 tttm -78.18 -31.97 49.88 Favored 'General case' 0 C--N 1.323 -0.554 0 O-C-N 124.589 1.181 . . . . 0.0 109.218 -179.893 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' TRP . . . . . 0.556 ' HB3' ' CE2' ' A' ' 55' ' ' PHE . 45.1 m0 -72.94 -28.09 62.23 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.577 1.173 . . . . 0.0 107.97 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -72.23 -9.01 57.9 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.471 1.107 . . . . 0.0 109.406 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 9.4 mt-30 -103.25 -14.62 16.27 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.496 1.122 . . . . 0.0 110.292 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . 0.403 ' OD1' ' N ' ' A' ' 55' ' ' PHE . 1.9 t70 -63.1 133.72 54.91 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.524 1.14 . . . . 0.0 109.278 179.931 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -60.59 -47.44 86.2 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.471 1.107 . . . . 0.0 109.275 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . 0.541 ' HD2' HD22 ' A' ' 134' ' ' LEU . 0.3 OUTLIER -50.82 -39.41 53.11 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.44 1.087 . . . . 0.0 109.307 179.967 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . 0.608 ' CE1' HD12 ' A' ' 60' ' ' LEU . 0.6 OUTLIER -76.56 -30.69 57.17 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.542 1.151 . . . . 0.0 110.968 -179.958 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 2.3 p -47.17 -39.33 13.55 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.526 1.141 . . . . 0.0 110.079 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -40.82 -56.36 2.22 Favored 'General case' 0 C--N 1.327 -0.413 0 O-C-N 124.489 1.118 . . . . 0.0 110.036 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -104.91 165.6 10.96 Favored 'General case' 0 C--N 1.323 -0.554 0 O-C-N 124.512 1.133 . . . . 0.0 109.264 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 1.4 m-20 -89.23 122.34 32.41 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.589 1.181 . . . . 0.0 109.23 -179.917 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.772 ' C ' HD23 ' A' ' 60' ' ' LEU . 2.2 tt -108.07 126.02 52.25 Favored 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.55 1.156 . . . . 0.0 109.217 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.543 ' N ' HD23 ' A' ' 60' ' ' LEU . 1.0 OUTLIER -152.5 162.12 2.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 O-C-N 124.541 1.15 . . . . 0.0 109.295 179.984 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . 0.477 ' OG1' HG22 ' A' ' 91' ' ' VAL . 34.5 p -116.83 150.27 38.65 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.441 1.088 . . . . 0.0 110.413 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . 0.428 HG23 HG23 ' A' ' 29' ' ' ILE . 2.1 t -119.94 141.72 38.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.558 1.161 . . . . 0.0 109.319 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . 0.68 ' CB ' ' CZ ' ' A' ' 77' ' ' PHE . . . -134.63 132.53 39.08 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.474 1.109 . . . . 0.0 109.238 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 22.1 m -108.7 107.92 60.44 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.43 1.081 . . . . 0.0 110.044 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 136.84 20.99 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.505 1.792 . . . . 0.0 111.018 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 75.96 2.9 72.97 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.505 1.128 . . . . 0.0 111.053 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . 0.632 ' CE2' HD23 ' A' ' 69' ' ' LEU . 49.8 t80 -117.98 129.99 55.92 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.458 0.74 . . . . 0.0 111.017 179.942 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.632 HD23 ' CE2' ' A' ' 68' ' ' PHE . 1.0 OUTLIER 71.89 35.07 1.4 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 0.0 109.194 179.926 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 10.0 t60 71.07 6.58 5.9 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.461 1.1 . . . . 0.0 109.615 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . 0.423 ' HG3' ' N ' ' A' ' 72' ' ' LYS . 6.7 tp10 -61.87 151.66 33.98 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.534 1.146 . . . . 0.0 110.26 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . 0.423 ' N ' ' HG3' ' A' ' 71' ' ' GLU . 0.1 OUTLIER -63.0 140.61 58.89 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.503 1.127 . . . . 0.0 109.288 179.991 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.44 161.44 11.76 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.496 1.122 . . . . 0.0 109.317 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -51.65 146.39 7.83 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.513 1.133 . . . . 0.0 109.268 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 86.14 -42.76 3.18 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.542 1.151 . . . . 0.0 111.067 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -75.71 -30.56 59.33 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.501 0.765 . . . . 0.0 109.325 179.9 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 77' ' ' PHE . . . . . 0.68 ' CZ ' ' CB ' ' A' ' 64' ' ' ALA . 73.9 t80 -77.67 -56.68 4.32 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.563 1.164 . . . . 0.0 111.001 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 15.1 pt20 -53.31 -29.86 35.81 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.465 1.103 . . . . 0.0 110.285 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -64.91 -33.56 76.32 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.431 1.082 . . . . 0.0 109.347 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 80' ' ' TRP . . . . . 0.502 ' CE3' ' OG ' ' A' ' 34' ' ' SER . 1.9 t90 . . . . . 0 C--N 1.325 -0.479 0 N-CA-C 107.959 -1.126 . . . . 0.0 107.959 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 3.0 mttm . . . . . 0 N--CA 1.453 -0.317 0 N-CA-C 109.282 -0.636 . . . . 0.0 109.282 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . 0.591 HD12 ' HD2' ' A' ' 90' ' ' PRO . 6.5 tp -85.16 119.3 72.3 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.416 1.073 . . . . 0.0 109.249 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 90' ' ' PRO . . . . . 0.591 ' HD2' HD12 ' A' ' 89' ' ' LEU . 18.3 Cg_endo -74.98 127.83 11.01 Favored 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.528 1.804 . . . . 0.0 111.035 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . 0.477 HG22 ' OG1' ' A' ' 62' ' ' THR . 3.0 t -147.29 118.31 1.52 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.534 1.146 . . . . 0.0 109.327 179.952 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . 0.429 ' O ' ' N ' ' A' ' 64' ' ' ALA . 75.4 t -105.4 135.84 41.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.528 1.142 . . . . 0.0 109.291 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 1.6 p -114.01 112.46 23.3 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.422 1.076 . . . . 0.0 110.33 -179.921 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 94' ' ' ASP . . . . . 0.633 ' HA ' HD12 ' A' ' 9' ' ' LEU . 22.3 t0 -114.76 110.93 20.46 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.514 1.134 . . . . 0.0 109.356 179.923 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 28.2 t-20 -60.13 120.74 10.31 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.5 1.125 . . . . 0.0 109.315 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 83.48 -11.8 54.28 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.543 1.152 . . . . 0.0 110.956 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 56.07 63.16 5.55 Favored Glycine 0 CA--C 1.53 1.01 0 N-CA-C 110.969 -0.853 . . . . 0.0 110.969 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 1.8 m -51.66 -49.35 62.5 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.439 0.729 . . . . 0.0 110.347 -179.942 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 4.3 mt -63.57 -41.87 94.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 O-C-N 124.551 1.157 . . . . 0.0 109.251 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 100' ' ' ALA . . . . . 0.433 ' O ' ' N ' ' A' ' 104' ' ' ASN . . . -63.35 -44.43 94.87 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.551 1.157 . . . . 0.0 109.282 -179.944 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 5.4 mt-30 -72.25 -38.07 68.97 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.546 1.154 . . . . 0.0 110.284 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 34.7 p -61.49 -30.55 70.68 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.508 1.13 . . . . 0.0 110.009 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . 0.532 HD22 HD13 ' A' ' 123' ' ' ILE . 7.7 mt -103.36 -11.33 17.97 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.503 1.127 . . . . 0.0 109.337 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 104' ' ' ASN . . . . . 0.433 ' N ' ' O ' ' A' ' 100' ' ' ALA . 15.9 t-20 67.05 58.72 0.56 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.473 1.108 . . . . 0.0 109.293 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 105' ' ' ILE . . . . . 0.612 HD12 ' CZ ' ' A' ' 31' ' ' PHE . 35.4 mt -103.62 85.99 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.46 1.1 . . . . 0.0 109.293 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 85.0 p -105.31 26.14 9.77 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.563 1.164 . . . . 0.0 109.945 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 107' ' ' VAL . . . . . 0.428 ' O ' ' OG ' ' A' ' 110' ' ' SER . 1.4 p -140.35 132.83 32.79 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.561 0 O-C-N 124.58 1.175 . . . . 0.0 109.343 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 108' ' ' TYR . . . . . 0.563 ' CE1' ' HB3' ' A' ' 31' ' ' PHE . 21.9 m-85 -130.73 154.4 81.8 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.556 1.16 . . . . 0.0 111.027 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 109' ' ' PRO . . . . . 0.535 ' C ' ' HA ' ' A' ' 108' ' ' TYR . 18.5 Cg_endo -75.01 -178.6 23.96 Favored 'Cis proline' 0 C--N 1.36 1.181 0 C-N-CA 121.034 -2.486 . . . . 0.0 111.06 -0.037 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 110' ' ' SER . . . . . 0.428 ' OG ' ' O ' ' A' ' 107' ' ' VAL . 0.7 OUTLIER -157.77 164.25 37.26 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.349 1.03 . . . . 0.0 109.937 179.998 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 111' ' ' TRP . . . . . 0.479 ' CE2' ' HG3' ' A' ' 30' ' ' LYS . 71.7 m95 -137.82 137.51 38.24 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.544 1.153 . . . . 0.0 107.998 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 112' ' ' ALA . . . . . 0.492 ' HB3' ' HB ' ' A' ' 29' ' ' ILE . . . -128.65 138.72 52.32 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.439 1.087 . . . . 0.0 109.258 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 20.7 tp -108.79 135.76 49.48 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.543 1.152 . . . . 0.0 109.328 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 114' ' ' ILE . . . . . 0.754 HD13 ' HA ' ' A' ' 120' ' ' VAL . 36.4 mm -121.72 122.11 66.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.603 1.189 . . . . 0.0 109.275 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 115' ' ' GLY . . . . . 0.438 ' N ' ' O ' ' A' ' 119' ' ' ASP . . . -49.6 168.96 0.2 Allowed Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.503 1.127 . . . . 0.0 110.968 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.3 -15.25 63.49 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.533 0.784 . . . . 0.0 109.325 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -81.43 -21.2 39.04 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.583 1.177 . . . . 0.0 109.315 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . 99.54 31.07 6.24 Favored Glycine 0 CA--C 1.529 0.941 0 O-C-N 124.568 1.168 . . . . 0.0 111.019 179.931 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 119' ' ' ASP . . . . . 0.438 ' O ' ' N ' ' A' ' 115' ' ' GLY . 3.1 p-10 -124.18 160.68 27.33 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.47 0.747 . . . . 0.0 109.251 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 120' ' ' VAL . . . . . 0.754 ' HA ' HD13 ' A' ' 114' ' ' ILE . 56.1 t -60.25 117.55 2.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.544 1.152 . . . . 0.0 109.332 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -97.34 -52.81 3.67 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.528 1.142 . . . . 0.0 110.354 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -149.05 157.46 43.42 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.587 1.179 . . . . 0.0 110.303 179.946 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 123' ' ' ILE . . . . . 0.532 HD13 HD22 ' A' ' 103' ' ' LEU . 1.1 tt -119.98 137.95 52.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.476 1.11 . . . . 0.0 109.291 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 72.3 t -135.4 131.1 51.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.549 1.156 . . . . 0.0 109.279 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -120.78 132.1 54.85 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.498 1.124 . . . . 0.0 109.26 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . 123.36 -147.18 16.63 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.484 1.115 . . . . 0.0 111.015 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -127.75 150.16 49.92 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.548 0.793 . . . . 0.0 110.118 179.953 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 128' ' ' ILE . . . . . 0.444 HG22 ' NE2' ' A' ' 132' ' ' GLN . 7.2 pt -131.74 162.55 39.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.448 1.093 . . . . 0.0 109.31 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 129' ' ' ASN . . . . . . . . . . . . . 2.0 p30 -107.01 166.81 10.34 Favored 'General case' 0 C--N 1.323 -0.552 0 O-C-N 124.506 1.129 . . . . 0.0 109.34 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 13.2 tt0 -52.5 -39.29 61.09 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.528 1.142 . . . . 0.0 110.216 -179.886 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -60.5 -50.05 75.09 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.443 1.089 . . . . 0.0 109.272 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 132' ' ' GLN . . . . . 0.444 ' NE2' HG22 ' A' ' 128' ' ' ILE . 26.9 mt-30 -51.01 -44.99 61.07 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.437 1.085 . . . . 0.0 110.317 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -53.47 -49.89 66.48 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.441 1.088 . . . . 0.0 109.286 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 134' ' ' LEU . . . . . 0.541 HD22 ' HD2' ' A' ' 54' ' ' LYS . 11.0 mt . . . . . 0 C--N 1.326 -0.418 0 O-C-N 124.525 1.14 . . . . 0.0 109.375 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.416 HD23 ' HA ' ' A' ' 9' ' ' LEU . 14.9 mt . . . . . 0 N--CA 1.454 -0.247 0 N-CA-C 109.319 -0.623 . . . . 0.0 109.319 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 10.3 mttm -125.71 150.42 47.69 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.495 1.122 . . . . 0.0 109.307 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . 0.409 ' HA ' ' O ' ' A' ' 91' ' ' VAL . 16.9 p -77.44 179.97 6.14 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.55 1.156 . . . . 0.0 110.461 179.915 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -73.3 -5.15 37.68 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.519 1.137 . . . . 0.0 109.379 179.946 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -104.52 24.34 11.84 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.421 1.075 . . . . 0.0 109.24 -179.921 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER 48.96 41.6 19.16 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.482 1.114 . . . . 0.0 109.361 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -117.99 155.63 50.98 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.58 1.175 . . . . 0.0 110.277 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.07 135.69 19.28 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.461 1.769 . . . . 0.0 111.047 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . 0.533 ' HA ' ' CZ ' ' A' ' 20' ' ' TYR . . . -59.48 -26.95 65.68 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.549 1.155 . . . . 0.0 109.354 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . 0.44 ' HA ' ' CB ' ' A' ' 21' ' ' LEU . 78.0 p -54.94 -24.98 26.41 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.511 1.132 . . . . 0.0 109.987 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 2.8 t -44.94 -42.09 2.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.47 1.106 . . . . 0.0 109.187 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' TYR . . . . . 0.763 ' CE1' HD13 ' A' ' 61' ' ' ILE . 2.8 p90 -112.85 -12.06 13.36 Favored 'General case' 0 C--N 1.323 -0.547 0 O-C-N 124.523 1.139 . . . . 0.0 111.029 -179.946 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.44 ' CB ' ' HA ' ' A' ' 18' ' ' SER . 0.2 OUTLIER -76.24 118.43 18.95 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.535 1.147 . . . . 0.0 109.283 -179.929 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . 0.429 ' O ' ' N ' ' A' ' 24' ' ' ASP . 18.3 mttm -113.83 110.9 20.87 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.437 1.086 . . . . 0.0 109.294 -179.954 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.67 57.78 0.13 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.484 1.115 . . . . 0.0 109.261 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . 0.429 ' N ' ' O ' ' A' ' 22' ' ' LYS . 1.0 OUTLIER 167.59 38.39 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.541 1.151 . . . . 0.0 109.29 179.981 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 1.3 mtpt -166.22 161.26 12.54 Favored Pre-proline 0 C--N 1.324 -0.53 0 O-C-N 124.432 1.083 . . . . 0.0 109.291 -179.935 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 144.23 29.94 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.463 1.77 . . . . 0.0 111.026 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . 0.447 ' OG1' ' ND2' ' A' ' 59' ' ' ASN . 89.3 m -126.11 133.95 51.49 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.483 1.114 . . . . 0.0 110.39 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.823 HD21 ' CE3' ' A' ' 111' ' ' TRP . 2.2 tp -115.52 134.66 54.86 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.471 1.107 . . . . 0.0 109.295 -179.944 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.527 ' HB ' ' HB3' ' A' ' 112' ' ' ALA . 5.3 mt -115.79 145.57 21.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.567 1.167 . . . . 0.0 109.307 -179.953 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.531 ' HD3' ' CZ2' ' A' ' 111' ' ' TRP . 0.4 OUTLIER -136.57 111.03 8.53 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.485 1.116 . . . . 0.0 109.314 -179.93 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . 0.652 ' CE1' HD11 ' A' ' 105' ' ' ILE . 50.7 m-85 -86.51 132.24 33.97 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.54 1.15 . . . . 0.0 110.959 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' TRP . . . . . 0.958 ' CZ3' HD11 ' A' ' 43' ' ' LEU . 9.7 p-90 -136.75 170.2 16.48 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.496 1.123 . . . . 0.0 107.997 179.948 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -125.79 149.01 48.94 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.452 1.095 . . . . 0.0 109.282 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . 0.516 ' HA ' HD11 ' A' ' 40' ' ' LEU . 0.1 OUTLIER -78.38 -33.26 49.0 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.463 1.102 . . . . 0.0 109.974 -179.995 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 19.8 p-90 -73.58 -6.55 47.29 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.501 1.126 . . . . 0.0 108.049 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . 0.582 ' O ' HD12 ' A' ' 40' ' ' LEU . 48.7 t -97.37 110.75 55.97 Favored Pre-proline 0 C--N 1.326 -0.437 0 O-C-N 124.52 1.138 . . . . 0.0 108.285 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -41.66 0.62 Allowed 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.497 1.788 . . . . 0.0 111.03 179.926 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 2.0 tm? -57.73 -33.17 68.16 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.457 1.098 . . . . 0.0 109.27 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 1.3 m -72.89 -51.42 18.72 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.471 1.107 . . . . 0.0 108.313 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.582 HD12 ' O ' ' A' ' 36' ' ' CYS . 0.6 OUTLIER -52.25 -35.06 48.86 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.525 1.141 . . . . 0.0 109.24 -179.995 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.7 m -73.41 -25.66 60.63 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.523 1.139 . . . . 0.0 109.959 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -84.04 -15.32 47.96 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.547 1.154 . . . . 0.0 110.296 -179.94 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.958 HD11 ' CZ3' ' A' ' 32' ' ' TRP . 60.3 mt -56.96 -55.02 40.0 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.552 1.157 . . . . 0.0 109.315 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -49.93 -50.27 33.2 Favored Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.485 1.116 . . . . 0.0 110.968 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 1.3 tt0 -63.35 -29.32 70.64 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.521 0.777 . . . . 0.0 110.341 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 51.8 m -72.85 -37.25 67.45 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.47 1.107 . . . . 0.0 110.384 179.948 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 27.6 tt0 -67.09 -28.66 68.36 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.496 1.123 . . . . 0.0 110.278 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 11.2 tttt -78.28 -29.22 47.84 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.482 1.113 . . . . 0.0 109.249 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' TRP . . . . . 0.484 ' HB3' ' CE2' ' A' ' 55' ' ' PHE . 45.0 m0 -75.56 -28.08 58.87 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.478 1.111 . . . . 0.0 108.031 -179.932 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -74.31 -9.24 58.4 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.125 . . . . 0.0 109.268 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 10.5 mm-40 -105.09 -12.78 15.98 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.461 1.101 . . . . 0.0 110.225 -179.942 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 2.7 t70 -69.25 128.47 36.7 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.487 1.117 . . . . 0.0 109.277 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -53.94 -48.36 70.32 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.47 1.106 . . . . 0.0 109.353 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . 0.555 ' CG ' HD22 ' A' ' 134' ' ' LEU . 0.0 OUTLIER -49.19 -40.62 34.04 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.458 1.099 . . . . 0.0 109.291 179.997 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . 0.7 ' CZ ' ' CB ' ' A' ' 133' ' ' ALA . 2.2 m-85 -76.59 -28.34 56.14 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.515 1.134 . . . . 0.0 111.065 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . 0.4 ' O ' ' C ' ' A' ' 57' ' ' SER . 5.0 t -53.67 -40.19 65.71 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.475 1.11 . . . . 0.0 110.026 179.931 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . 0.4 ' C ' ' O ' ' A' ' 56' ' ' SER . 0.3 OUTLIER -39.04 -37.1 0.34 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.502 1.126 . . . . 0.0 110.04 179.936 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -125.17 165.64 17.89 Favored 'General case' 0 C--N 1.327 -0.411 0 O-C-N 124.492 1.12 . . . . 0.0 109.219 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . 0.447 ' ND2' ' OG1' ' A' ' 27' ' ' THR . 0.3 OUTLIER -89.08 124.11 34.0 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.574 1.171 . . . . 0.0 109.235 -179.988 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.75 ' C ' HD23 ' A' ' 60' ' ' LEU . 2.9 tt -111.72 127.42 55.77 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.555 1.159 . . . . 0.0 109.251 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.881 HD12 HG21 ' A' ' 92' ' ' VAL . 5.8 pt -152.35 161.0 3.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.464 1.102 . . . . 0.0 109.291 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . 0.413 ' HA ' ' O ' ' A' ' 30' ' ' LYS . 32.5 p -113.26 155.58 24.84 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.509 1.131 . . . . 0.0 110.404 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . 0.509 HG23 HG23 ' A' ' 29' ' ' ILE . 2.9 t -125.44 143.24 39.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.493 1.121 . . . . 0.0 109.317 179.917 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . 0.461 ' N ' ' O ' ' A' ' 92' ' ' VAL . . . -134.27 150.13 50.98 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.541 1.15 . . . . 0.0 109.306 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . 0.47 ' CB ' ' HB3' ' A' ' 68' ' ' PHE . 2.9 m -121.68 108.83 34.81 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.529 1.143 . . . . 0.0 109.982 -179.946 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . 0.453 ' HA ' ' O ' ' A' ' 72' ' ' LYS . 18.4 Cg_endo -74.96 134.88 18.42 Favored 'Trans proline' 0 C--N 1.359 1.116 0 O-C-N 124.55 1.816 . . . . 0.0 110.989 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 62.89 15.74 55.83 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.512 1.133 . . . . 0.0 110.986 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . 0.498 ' CE1' ' HB2' ' A' ' 69' ' ' LEU . 2.9 t80 -123.66 131.65 53.66 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.481 0.754 . . . . 0.0 111.029 179.939 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.973 HD23 ' CE2' ' A' ' 108' ' ' TYR . 6.2 tp 67.79 48.84 0.99 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.464 1.103 . . . . 0.0 109.266 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 98.0 m-70 55.75 23.6 6.49 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.513 1.133 . . . . 0.0 109.641 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . 0.436 ' HG3' ' N ' ' A' ' 72' ' ' LYS . 5.5 tp10 -88.53 154.7 20.14 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.426 1.079 . . . . 0.0 110.302 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . 0.453 ' O ' ' HA ' ' A' ' 66' ' ' PRO . 0.2 OUTLIER -59.21 141.56 53.97 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.448 1.092 . . . . 0.0 109.311 179.97 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.36 162.28 17.95 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.554 1.159 . . . . 0.0 109.248 -179.915 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -56.08 161.84 2.2 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.512 1.133 . . . . 0.0 109.273 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 78.13 -52.13 3.65 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.53 1.144 . . . . 0.0 110.978 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -63.62 -52.16 62.08 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.544 0.79 . . . . 0.0 109.297 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 68.6 t80 -59.29 -26.97 65.43 Favored 'General case' 0 C--N 1.327 -0.403 0 O-C-N 124.343 1.027 . . . . 0.0 110.992 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 8.3 mt-30 -67.99 -34.88 77.38 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.512 1.133 . . . . 0.0 110.312 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 3.3 mtmt -73.03 -40.2 65.34 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.464 1.103 . . . . 0.0 109.26 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 80' ' ' TRP . . . . . 0.414 ' NE1' HD21 ' A' ' 40' ' ' LEU . 1.2 t90 . . . . . 0 C--N 1.324 -0.509 0 O-C-N 124.565 1.166 . . . . 0.0 107.99 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.453 -0.277 0 N-CA-C 109.234 -0.654 . . . . 0.0 109.234 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . 0.939 HD12 ' HD2' ' A' ' 90' ' ' PRO . 4.7 tp -84.94 129.87 54.7 Favored Pre-proline 0 C--N 1.324 -0.531 0 O-C-N 124.533 1.146 . . . . 0.0 109.371 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 90' ' ' PRO . . . . . 0.939 ' HD2' HD12 ' A' ' 89' ' ' LEU . 18.5 Cg_endo -74.94 126.53 10.07 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.47 1.773 . . . . 0.0 111.019 -179.95 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . 0.409 ' O ' ' HA ' ' A' ' 11' ' ' THR . 58.2 t -138.01 125.56 29.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.486 1.116 . . . . 0.0 109.35 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . 0.881 HG21 HD12 ' A' ' 61' ' ' ILE . 47.5 t -118.46 127.02 75.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.423 1.077 . . . . 0.0 109.373 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 3.4 p -106.59 117.53 34.29 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.511 1.132 . . . . 0.0 110.347 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 94' ' ' ASP . . . . . 0.4 ' O ' ' HD2' ' A' ' 66' ' ' PRO . 63.7 t0 -114.84 109.95 18.94 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.512 1.132 . . . . 0.0 109.334 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 19.1 t-20 -63.98 117.97 7.78 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.43 1.081 . . . . 0.0 109.297 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 88.6 -31.48 4.88 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.493 1.12 . . . . 0.0 111.011 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 77.17 81.41 0.6 Allowed Glycine 0 CA--C 1.531 1.032 0 N-CA-C 110.954 -0.858 . . . . 0.0 110.954 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 1.8 m -75.93 -38.94 57.11 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.491 0.759 . . . . 0.0 110.419 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 2.8 mp -77.54 -36.46 23.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.52 1.137 . . . . 0.0 109.253 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -63.23 -38.51 91.47 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.476 1.11 . . . . 0.0 109.32 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 101' ' ' GLN . . . . . 0.405 ' HG3' ' N ' ' A' ' 102' ' ' SER . 18.7 pt20 -80.35 -38.4 30.6 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.472 1.108 . . . . 0.0 110.245 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 102' ' ' SER . . . . . 0.405 ' N ' ' HG3' ' A' ' 101' ' ' GLN . 18.3 t -56.37 -41.49 76.28 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.469 1.105 . . . . 0.0 110.003 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . 0.779 HD22 HD11 ' A' ' 123' ' ' ILE . 5.5 mt -87.07 -19.4 28.65 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.515 1.134 . . . . 0.0 109.387 179.95 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 21.0 t30 68.28 53.41 0.6 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.476 1.11 . . . . 0.0 109.307 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 105' ' ' ILE . . . . . 0.652 HD11 ' CE1' ' A' ' 31' ' ' PHE . 68.3 mt -73.23 -100.43 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 O-C-N 124.515 1.134 . . . . 0.0 109.207 -179.942 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 106' ' ' SER . . . . . 0.535 ' CB ' ' O ' ' A' ' 105' ' ' ILE . 1.3 p 87.55 -18.89 0.26 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.519 1.137 . . . . 0.0 110.024 -179.896 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 5.0 m -110.36 131.78 60.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.124 . . . . 0.0 109.226 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 108' ' ' TYR . . . . . 0.973 ' CE2' HD23 ' A' ' 69' ' ' LEU . 20.9 m-85 -131.81 152.16 79.83 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.525 1.14 . . . . 0.0 111.033 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 109' ' ' PRO . . . . . 0.538 ' C ' ' HA ' ' A' ' 108' ' ' TYR . 18.5 Cg_endo -75.0 169.79 73.6 Favored 'Cis proline' 0 C--N 1.36 1.141 0 C-N-CA 121.015 -2.494 . . . . 0.0 111.008 0.002 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -144.84 163.05 35.25 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.509 1.131 . . . . 0.0 109.946 -179.923 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 111' ' ' TRP . . . . . 0.823 ' CE3' HD21 ' A' ' 28' ' ' LEU . 33.4 m95 -134.92 138.37 44.03 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.533 1.146 . . . . 0.0 107.939 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 112' ' ' ALA . . . . . 0.527 ' HB3' ' HB ' ' A' ' 29' ' ' ILE . . . -129.34 135.84 49.24 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.486 1.116 . . . . 0.0 109.295 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 50.4 tp -109.14 132.26 54.28 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.487 1.117 . . . . 0.0 109.33 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 114' ' ' ILE . . . . . 0.595 HD13 ' HA ' ' A' ' 120' ' ' VAL . 35.0 mm -121.36 125.83 74.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.492 1.12 . . . . 0.0 109.284 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 115' ' ' GLY . . . . . 0.473 ' CA ' ' HG3' ' A' ' 121' ' ' GLN . . . -54.3 165.99 2.45 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.522 1.139 . . . . 0.0 110.949 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -67.14 -14.38 62.85 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.491 0.759 . . . . 0.0 109.333 179.944 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -83.29 -23.41 32.64 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.484 1.115 . . . . 0.0 109.34 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . 102.48 28.29 6.43 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.468 1.105 . . . . 0.0 111.06 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 5.6 p-10 -118.04 154.55 31.85 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.564 0.803 . . . . 0.0 109.298 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 120' ' ' VAL . . . . . 0.595 ' HA ' HD13 ' A' ' 114' ' ' ILE . 81.2 t -60.87 115.73 1.61 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.437 1.086 . . . . 0.0 109.292 -179.901 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 121' ' ' GLN . . . . . 0.473 ' HG3' ' CA ' ' A' ' 115' ' ' GLY . 3.2 mt-30 -89.92 -60.3 1.97 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.506 1.129 . . . . 0.0 110.349 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -148.89 156.88 42.94 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.466 1.104 . . . . 0.0 110.275 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 123' ' ' ILE . . . . . 0.779 HD11 HD22 ' A' ' 103' ' ' LEU . 8.3 mm -121.76 134.74 64.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.503 1.127 . . . . 0.0 109.281 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 71.6 t -127.92 115.35 38.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.542 1.151 . . . . 0.0 109.273 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -95.32 137.02 34.95 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.511 1.132 . . . . 0.0 109.286 179.952 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . 109.1 -152.02 17.08 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.448 1.093 . . . . 0.0 111.027 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 1.3 m -118.81 159.02 24.49 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.503 0.766 . . . . 0.0 109.941 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 128' ' ' ILE . . . . . 0.823 HG22 ' NE2' ' A' ' 132' ' ' GLN . 3.4 pt -137.27 166.78 24.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.556 1.16 . . . . 0.0 109.366 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 129' ' ' ASN . . . . . 0.724 ' ND2' ' HB3' ' A' ' 131' ' ' ALA . 1.4 p-10 -107.5 167.89 9.62 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.496 1.123 . . . . 0.0 109.34 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 130' ' ' GLU . . . . . 0.422 ' HB2' ' CZ2' ' A' ' 49' ' ' TRP . 29.1 tt0 -51.58 -44.77 62.89 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.475 1.109 . . . . 0.0 110.399 179.928 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 131' ' ' ALA . . . . . 0.724 ' HB3' ' ND2' ' A' ' 129' ' ' ASN . . . -55.28 -50.23 70.07 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.612 1.195 . . . . 0.0 109.32 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 132' ' ' GLN . . . . . 0.823 ' NE2' HG22 ' A' ' 128' ' ' ILE . 23.6 mt-30 -51.46 -44.23 62.33 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.514 1.134 . . . . 0.0 110.295 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 133' ' ' ALA . . . . . 0.7 ' CB ' ' CZ ' ' A' ' 55' ' ' PHE . . . -55.96 -46.13 78.7 Favored 'General case' 0 C--N 1.323 -0.547 0 O-C-N 124.476 1.11 . . . . 0.0 109.306 179.926 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 134' ' ' LEU . . . . . 0.555 HD22 ' CG ' ' A' ' 54' ' ' LYS . 36.7 mt . . . . . 0 C--N 1.325 -0.496 0 O-C-N 124.4 1.062 . . . . 0.0 109.347 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.508 HD13 ' HA ' ' A' ' 9' ' ' LEU . 1.9 mm? . . . . . 0 N--CA 1.454 -0.258 0 N-CA-C 109.278 -0.638 . . . . 0.0 109.278 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 10.9 mtmm -105.17 153.97 20.82 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.476 1.11 . . . . 0.0 109.347 179.909 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . 0.42 ' HA ' ' O ' ' A' ' 91' ' ' VAL . 41.3 p -81.53 176.79 9.38 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.496 1.122 . . . . 0.0 110.438 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -72.52 -14.28 61.61 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.489 1.118 . . . . 0.0 109.357 179.938 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 8.5 p-10 -99.87 27.22 5.61 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.423 1.077 . . . . 0.0 109.374 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER 47.32 64.7 1.48 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.616 1.197 . . . . 0.0 109.249 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 1.1 mtt-85 -139.35 150.05 62.72 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.462 1.101 . . . . 0.0 110.349 179.923 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . 0.85 ' O ' HG23 ' A' ' 19' ' ' VAL . 18.3 Cg_endo -75.06 128.97 11.86 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.521 1.801 . . . . 0.0 111.042 179.954 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -55.06 -22.91 17.59 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.523 1.14 . . . . 0.0 109.35 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -61.08 -19.51 61.51 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.542 1.151 . . . . 0.0 109.98 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.85 HG23 ' O ' ' A' ' 16' ' ' PRO . 44.3 t -43.42 -43.52 1.52 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.522 1.139 . . . . 0.0 109.27 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' TYR . . . . . 0.53 ' CZ ' HG21 ' A' ' 61' ' ' ILE . 8.3 p90 -111.35 -11.51 14.15 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.381 1.051 . . . . 0.0 111.016 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.498 ' O ' ' CB ' ' A' ' 22' ' ' LYS . 0.4 OUTLIER -89.34 107.03 18.83 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.509 1.13 . . . . 0.0 109.329 179.942 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . 0.498 ' CB ' ' O ' ' A' ' 21' ' ' LEU . 0.0 OUTLIER 163.35 -174.62 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.489 1.118 . . . . 0.0 109.222 -179.989 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER 67.88 24.84 7.97 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.514 1.134 . . . . 0.0 109.297 -179.938 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 58.7 m-20 44.05 39.11 2.59 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.555 1.16 . . . . 0.0 109.342 -179.937 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -104.69 161.14 23.71 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.362 1.038 . . . . 0.0 109.357 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 156.09 43.02 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.528 1.804 . . . . 0.0 111.026 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . 0.447 HG23 ' HB2' ' A' ' 59' ' ' ASN . 81.3 m -133.25 139.63 47.05 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.404 1.065 . . . . 0.0 110.351 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.616 HD12 ' O ' ' A' ' 112' ' ' ALA . 47.1 tp -120.09 136.19 54.67 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.431 1.082 . . . . 0.0 109.269 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.541 HG23 HG23 ' A' ' 63' ' ' VAL . 2.5 mt -113.88 148.59 16.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.467 1.104 . . . . 0.0 109.266 -179.955 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.407 ' HA ' ' O ' ' A' ' 110' ' ' SER . 12.3 tttt -138.78 113.07 8.75 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.44 1.087 . . . . 0.0 109.339 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . 0.593 ' HB3' ' CE1' ' A' ' 108' ' ' TYR . 70.6 m-85 -87.4 131.36 34.33 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.485 1.115 . . . . 0.0 111.011 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' TRP . . . . . 1.046 ' CZ3' HD11 ' A' ' 43' ' ' LEU . 11.0 p-90 -136.78 170.14 16.58 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.526 1.141 . . . . 0.0 108.013 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -128.42 151.42 49.4 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.597 1.186 . . . . 0.0 109.349 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -79.71 -28.34 40.62 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.504 1.127 . . . . 0.0 110.006 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 45.5 p-90 -82.11 0.64 39.77 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 107.945 -1.132 . . . . 0.0 107.945 -179.889 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 47.4 t -100.41 108.94 55.35 Favored Pre-proline 0 C--N 1.324 -0.531 0 O-C-N 124.492 1.12 . . . . 0.0 108.255 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.0 -29.66 7.99 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.498 1.789 . . . . 0.0 110.962 179.934 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.447 ' O ' HD22 ' A' ' 38' ' ' LEU . 1.5 tm? -68.25 -30.9 70.04 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.439 1.087 . . . . 0.0 109.284 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 1.3 m -78.33 -44.02 26.27 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.55 1.156 . . . . 0.0 108.298 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.582 HD23 HD12 ' A' ' 43' ' ' LEU . 4.4 mt -51.61 -42.94 62.35 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.525 1.141 . . . . 0.0 109.279 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 82.0 p -68.23 -26.09 65.53 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.539 1.149 . . . . 0.0 109.953 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . 0.404 ' O ' ' N ' ' A' ' 46' ' ' THR . 1.5 tt0 -84.49 -23.58 29.79 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.567 1.167 . . . . 0.0 110.271 -179.919 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 1.046 HD11 ' CZ3' ' A' ' 32' ' ' TRP . 76.4 mt -49.43 -54.77 15.83 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.49 1.118 . . . . 0.0 109.316 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -55.63 -51.17 56.67 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.564 1.165 . . . . 0.0 110.972 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 2.8 tp-100 -61.22 -33.78 74.05 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.486 0.757 . . . . 0.0 110.328 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . 0.404 ' N ' ' O ' ' A' ' 42' ' ' GLU . 31.6 m -68.02 -35.11 77.74 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.53 1.144 . . . . 0.0 110.428 179.854 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . 0.446 ' CG ' ' HB2' ' A' ' 89' ' ' LEU . 60.3 tt0 -67.57 -32.44 73.2 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.457 1.098 . . . . 0.0 110.289 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.9 -31.9 51.47 Favored 'General case' 0 C--N 1.323 -0.55 0 O-C-N 124.583 1.177 . . . . 0.0 109.288 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' TRP . . . . . 0.512 ' CE2' ' HB2' ' A' ' 130' ' ' GLU . 46.8 m0 -77.59 -28.58 51.69 Favored 'General case' 0 C--N 1.325 -0.5 0 N-CA-C 107.988 -1.115 . . . . 0.0 107.988 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -76.83 -17.35 59.05 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.482 1.114 . . . . 0.0 109.282 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -109.43 3.88 21.85 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.475 1.11 . . . . 0.0 110.325 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . 0.428 ' O ' ' N ' ' A' ' 56' ' ' SER . 0.9 OUTLIER -73.15 134.2 44.35 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.461 1.101 . . . . 0.0 109.244 -179.895 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -53.22 -52.01 60.3 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.535 1.147 . . . . 0.0 109.324 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . 0.549 ' CG ' HD22 ' A' ' 134' ' ' LEU . 0.6 OUTLIER -49.0 -43.8 40.64 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.506 1.129 . . . . 0.0 109.243 179.969 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . 0.943 ' CE1' HD12 ' A' ' 60' ' ' LEU . 0.1 OUTLIER -77.11 -27.43 54.06 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.501 1.125 . . . . 0.0 111.029 -179.978 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . 0.428 ' N ' ' O ' ' A' ' 52' ' ' ASP . 12.1 t -45.91 -35.67 4.78 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.457 1.098 . . . . 0.0 109.978 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -46.38 -61.78 1.65 Allowed 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.452 1.095 . . . . 0.0 110.044 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -97.29 165.91 11.8 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.446 1.091 . . . . 0.0 109.325 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . 0.447 ' HB2' HG23 ' A' ' 27' ' ' THR . 52.2 m-20 -88.79 130.31 35.39 Favored 'General case' 0 C--N 1.323 -0.547 0 O-C-N 124.565 1.166 . . . . 0.0 109.337 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.943 HD12 ' CE1' ' A' ' 55' ' ' PHE . 5.7 tt -121.16 126.44 49.71 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.455 1.097 . . . . 0.0 109.332 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.612 ' N ' HD23 ' A' ' 60' ' ' LEU . 1.9 pp -150.6 161.26 3.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.454 1.096 . . . . 0.0 109.323 -179.957 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 38.8 p -110.15 156.66 20.31 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.562 1.164 . . . . 0.0 110.428 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . 0.541 HG23 HG23 ' A' ' 29' ' ' ILE . 2.6 t -127.14 142.16 44.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.51 1.131 . . . . 0.0 109.282 -179.948 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . 0.429 ' N ' ' O ' ' A' ' 92' ' ' VAL . . . -133.82 147.31 51.2 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.481 1.113 . . . . 0.0 109.307 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 57.5 p -121.24 108.45 36.08 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.548 1.155 . . . . 0.0 109.95 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.95 136.8 20.99 Favored 'Trans proline' 0 C--N 1.361 1.219 0 O-C-N 124.437 1.756 . . . . 0.0 110.98 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 68.72 11.03 62.08 Favored Glycine 0 CA--C 1.529 0.906 0 O-C-N 124.457 1.098 . . . . 0.0 111.049 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . 0.749 ' CD1' HD23 ' A' ' 69' ' ' LEU . 10.1 t80 -123.91 130.43 52.59 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.51 0.77 . . . . 0.0 110.947 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.749 HD23 ' CD1' ' A' ' 68' ' ' PHE . 2.7 mm? 69.08 48.39 0.69 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.51 1.131 . . . . 0.0 109.259 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 29.9 m-70 53.63 22.54 3.11 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.511 1.132 . . . . 0.0 109.621 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . 0.403 ' OE1' ' HA ' ' A' ' 71' ' ' GLU . 5.5 tp10 -83.52 151.87 25.19 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.43 1.082 . . . . 0.0 110.356 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 5.0 mmtt -60.1 137.27 58.14 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.381 1.05 . . . . 0.0 109.37 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 4.4 mtmt -63.15 165.7 6.92 Favored 'General case' 0 C--N 1.323 -0.566 0 O-C-N 124.522 1.139 . . . . 0.0 109.328 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -54.06 161.25 1.29 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.559 1.162 . . . . 0.0 109.229 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 77.41 -53.03 3.51 Favored Glycine 0 CA--C 1.531 1.087 0 O-C-N 124.491 1.12 . . . . 0.0 110.979 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -61.55 -52.46 64.35 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.528 0.781 . . . . 0.0 109.359 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 59.5 t80 -59.25 -27.16 65.53 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.505 1.128 . . . . 0.0 110.966 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 6.3 mt-30 -69.97 -30.26 67.57 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.486 1.116 . . . . 0.0 110.309 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -81.45 -37.86 27.33 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.511 1.132 . . . . 0.0 109.293 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 80' ' ' TRP . . . . . . . . . . . . . 2.1 t90 . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.552 1.158 . . . . 0.0 108.078 179.945 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.453 -0.295 0 N-CA-C 109.334 -0.617 . . . . 0.0 109.334 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . 0.901 HD12 ' HD2' ' A' ' 90' ' ' PRO . 4.5 tp -116.31 127.54 26.68 Favored Pre-proline 0 C--N 1.326 -0.442 0 O-C-N 124.533 1.145 . . . . 0.0 109.357 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 90' ' ' PRO . . . . . 0.901 ' HD2' HD12 ' A' ' 89' ' ' LEU . 18.3 Cg_endo -75.07 127.2 10.44 Favored 'Trans proline' 0 C--N 1.359 1.105 0 O-C-N 124.62 1.852 . . . . 0.0 110.939 -179.941 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . 0.42 ' O ' ' HA ' ' A' ' 11' ' ' THR . 71.1 t -139.0 128.9 31.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.52 1.138 . . . . 0.0 109.368 179.938 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . 0.552 ' CG2' HD13 ' A' ' 61' ' ' ILE . 69.0 t -123.07 129.96 74.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.477 1.111 . . . . 0.0 109.288 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 4.7 p -113.42 117.46 31.79 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.446 1.091 . . . . 0.0 110.449 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 61.4 t0 -114.81 111.49 21.31 Favored 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.473 1.108 . . . . 0.0 109.3 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 1.5 m120 -58.85 113.79 2.23 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.477 1.111 . . . . 0.0 109.321 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 87.41 -18.17 39.21 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.52 1.137 . . . . 0.0 111.032 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 63.31 67.31 2.12 Favored Glycine 0 CA--C 1.531 1.079 0 N-CA-C 111.011 -0.835 . . . . 0.0 111.011 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 98' ' ' THR . . . . . 0.455 ' O ' ' CB ' ' A' ' 102' ' ' SER . 2.4 m -56.3 -34.22 66.3 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.578 0.81 . . . . 0.0 110.442 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 3.3 mt -74.99 -35.48 35.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.541 1.151 . . . . 0.0 109.226 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 100' ' ' ALA . . . . . 0.493 ' HA ' HD12 ' A' ' 105' ' ' ILE . . . -69.36 -40.2 77.64 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.532 1.145 . . . . 0.0 109.243 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 34.4 mt-30 -80.49 -35.86 34.14 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.508 1.13 . . . . 0.0 110.301 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 102' ' ' SER . . . . . 0.455 ' CB ' ' O ' ' A' ' 98' ' ' THR . 4.3 m -61.03 -47.11 87.95 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.541 1.151 . . . . 0.0 110.032 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . 0.61 HD13 HD12 ' A' ' 123' ' ' ILE . 10.4 mt -87.1 -6.69 58.59 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.502 1.126 . . . . 0.0 109.358 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 104' ' ' ASN . . . . . 0.41 ' O ' ' CG ' ' A' ' 104' ' ' ASN . 13.2 t-20 58.14 63.05 1.85 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.547 1.154 . . . . 0.0 109.332 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 105' ' ' ILE . . . . . 0.53 HG12 HD11 ' A' ' 123' ' ' ILE . 9.8 mt -95.63 -77.62 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.541 1.15 . . . . 0.0 109.272 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 1.6 p 53.77 26.01 5.64 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.536 1.147 . . . . 0.0 109.998 -179.928 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 107' ' ' VAL . . . . . 0.412 ' H ' HG22 ' A' ' 105' ' ' ILE . 7.6 p -141.55 132.57 26.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.557 1.161 . . . . 0.0 109.282 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 108' ' ' TYR . . . . . 0.593 ' CE1' ' HB3' ' A' ' 31' ' ' PHE . 15.3 m-85 -131.54 152.71 80.93 Favored Pre-proline 0 C--N 1.326 -0.435 0 O-C-N 124.436 1.085 . . . . 0.0 110.949 -179.922 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 109' ' ' PRO . . . . . 0.534 ' C ' ' HA ' ' A' ' 108' ' ' TYR . 18.4 Cg_endo -75.04 166.99 81.8 Favored 'Cis proline' 0 C--N 1.359 1.105 0 C-N-CA 121.059 -2.475 . . . . 0.0 110.948 0.092 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 110' ' ' SER . . . . . 0.407 ' O ' ' HA ' ' A' ' 30' ' ' LYS . 2.8 m -149.48 151.78 34.52 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.513 1.133 . . . . 0.0 110.009 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 111' ' ' TRP . . . . . . . . . . . . . 60.0 m95 -129.98 138.18 50.7 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.437 1.085 . . . . 0.0 108.073 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 112' ' ' ALA . . . . . 0.616 ' O ' HD12 ' A' ' 28' ' ' LEU . . . -134.53 137.65 44.0 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.573 1.171 . . . . 0.0 109.295 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 36.3 tp -108.46 139.19 43.55 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.422 1.076 . . . . 0.0 109.342 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 114' ' ' ILE . . . . . 0.53 HD13 ' HA ' ' A' ' 120' ' ' VAL . 43.5 mm -121.12 118.84 57.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.516 1.135 . . . . 0.0 109.305 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -41.18 161.88 0.02 OUTLIER Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.48 1.113 . . . . 0.0 111.03 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 9.2 pttt -68.59 -10.61 57.0 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.537 0.787 . . . . 0.0 109.347 179.919 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -89.67 -21.71 22.62 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.504 1.127 . . . . 0.0 109.29 -179.899 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . 102.2 31.92 5.13 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.497 1.123 . . . . 0.0 110.997 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 2.1 p-10 -121.7 149.97 42.46 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.49 0.759 . . . . 0.0 109.304 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 120' ' ' VAL . . . . . 0.53 ' HA ' HD13 ' A' ' 114' ' ' ILE . 29.5 t -55.73 116.96 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.442 1.089 . . . . 0.0 109.332 179.888 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -91.38 -61.99 1.53 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.546 1.154 . . . . 0.0 110.32 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 122' ' ' ARG . . . . . 0.408 ' CZ ' ' CB ' ' A' ' 122' ' ' ARG . 0.2 OUTLIER -158.33 155.06 28.11 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.493 1.121 . . . . 0.0 110.333 179.989 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 123' ' ' ILE . . . . . 0.61 HD12 HD13 ' A' ' 103' ' ' LEU . 2.9 tt -114.12 141.23 31.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.595 1.184 . . . . 0.0 109.328 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 85.6 t -125.41 124.9 67.99 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.555 0 O-C-N 124.509 1.131 . . . . 0.0 109.35 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 3.2 ptpt -105.58 118.0 35.46 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.46 1.1 . . . . 0.0 109.268 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . 131.54 -159.08 23.06 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.493 1.12 . . . . 0.0 110.98 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 1.8 m -117.5 162.78 17.42 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.473 0.749 . . . . 0.0 109.996 -179.916 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 128' ' ' ILE . . . . . . . . . . . . . 10.6 pt -139.01 163.21 27.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.578 1.174 . . . . 0.0 109.217 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 129' ' ' ASN . . . . . 0.506 ' OD1' ' HB3' ' A' ' 131' ' ' ALA . 1.1 p30 -107.71 167.78 9.72 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.464 1.102 . . . . 0.0 109.363 179.914 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 130' ' ' GLU . . . . . 0.512 ' HB2' ' CE2' ' A' ' 49' ' ' TRP . 0.7 OUTLIER -53.69 -31.78 49.21 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.515 1.134 . . . . 0.0 110.259 179.976 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 131' ' ' ALA . . . . . 0.506 ' HB3' ' OD1' ' A' ' 129' ' ' ASN . . . -65.82 -51.6 57.57 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.55 1.156 . . . . 0.0 109.304 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -51.66 -42.46 62.12 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.5 1.125 . . . . 0.0 110.327 179.948 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 133' ' ' ALA . . . . . 0.57 ' HB1' ' CZ ' ' A' ' 55' ' ' PHE . . . -54.54 -45.86 73.51 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.559 1.162 . . . . 0.0 109.247 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 134' ' ' LEU . . . . . 0.549 HD22 ' CG ' ' A' ' 54' ' ' LYS . 8.2 mt . . . . . 0 C--N 1.324 -0.503 0 O-C-N 124.484 1.115 . . . . 0.0 109.324 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.589 HD11 ' CB ' ' A' ' 94' ' ' ASP . 3.7 mm? . . . . . 0 N--CA 1.454 -0.249 0 N-CA-C 109.284 -0.636 . . . . 0.0 109.284 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . 0.41 ' HA ' ' O ' ' A' ' 15' ' ' ARG . 0.4 OUTLIER -100.31 150.48 22.53 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.547 1.155 . . . . 0.0 109.253 179.956 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . 0.571 HG22 HG22 ' A' ' 92' ' ' VAL . 34.3 p -88.62 175.2 7.64 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.502 1.126 . . . . 0.0 110.379 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -57.69 -21.03 38.05 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.477 1.111 . . . . 0.0 109.288 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -89.47 15.72 8.81 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.472 1.108 . . . . 0.0 109.295 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 52.57 30.22 8.25 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.507 1.129 . . . . 0.0 109.317 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . 0.41 ' O ' ' HA ' ' A' ' 10' ' ' LYS . 6.8 mtp180 -102.23 156.15 35.59 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.476 1.11 . . . . 0.0 110.311 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.13 124.61 8.67 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.486 1.782 . . . . 0.0 110.99 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . 0.439 ' HB2' ' O ' ' A' ' 9' ' ' LEU . . . -46.16 -32.08 2.77 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.469 1.105 . . . . 0.0 109.339 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 24.8 p -51.21 -23.48 3.44 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.476 1.11 . . . . 0.0 109.949 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 20.1 t -64.26 -27.51 42.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.457 1.098 . . . . 0.0 109.361 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 14.8 m-85 -124.01 22.32 8.8 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.437 1.086 . . . . 0.0 110.998 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -120.5 110.92 17.05 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.479 1.112 . . . . 0.0 109.27 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -96.34 108.53 21.06 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.504 1.127 . . . . 0.0 109.319 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 9.9 mttt -72.38 53.59 0.3 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.492 1.12 . . . . 0.0 109.319 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 10.4 p-10 174.1 36.2 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.459 1.099 . . . . 0.0 109.32 -179.937 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -169.05 162.47 7.79 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.466 1.104 . . . . 0.0 109.306 -179.9 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 148.4 35.12 Favored 'Trans proline' 0 C--N 1.361 1.227 0 O-C-N 124.412 1.743 . . . . 0.0 111.038 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . 0.549 HG23 ' HB2' ' A' ' 59' ' ' ASN . 39.7 m -130.17 125.4 34.93 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.513 1.133 . . . . 0.0 110.415 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 8.8 tp -105.84 127.9 53.41 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.506 1.129 . . . . 0.0 109.319 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.441 HG23 HG23 ' A' ' 63' ' ' VAL . 14.2 mt -110.78 148.7 13.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.588 1.18 . . . . 0.0 109.296 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.558 ' HB2' ' CE3' ' A' ' 111' ' ' TRP . 1.0 OUTLIER -138.92 113.24 8.81 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.417 1.073 . . . . 0.0 109.348 179.983 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . 0.699 ' CE1' ' CD1' ' A' ' 105' ' ' ILE . 59.1 m-85 -84.96 132.54 34.34 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.492 1.12 . . . . 0.0 111.062 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' TRP . . . . . 0.682 ' CZ3' HD21 ' A' ' 43' ' ' LEU . 4.8 p-90 -137.47 166.83 22.93 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 107.978 -1.119 . . . . 0.0 107.978 -179.878 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . 0.53 ' HB1' ' NE1' ' A' ' 35' ' ' TRP . . . -128.31 127.9 43.59 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.492 1.12 . . . . 0.0 109.284 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 5.2 m -54.11 -30.0 47.01 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.575 1.172 . . . . 0.0 110.004 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' TRP . . . . . 0.53 ' NE1' ' HB1' ' A' ' 33' ' ' ALA . 24.2 p-90 -76.69 -25.0 53.15 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.51 1.131 . . . . 0.0 108.022 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . 0.467 ' HB2' ' HB3' ' A' ' 33' ' ' ALA . 48.5 t -70.83 114.33 25.98 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.484 1.115 . . . . 0.0 108.305 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -42.37 0.52 Allowed 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.502 1.79 . . . . 0.0 110.972 -179.917 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.616 HD23 ' O ' ' A' ' 38' ' ' LEU . 5.3 tt -57.47 -34.24 68.82 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.47 1.106 . . . . 0.0 109.352 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 41.8 m -74.39 -43.45 56.37 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.54 1.15 . . . . 0.0 108.28 -179.92 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.477 ' HA ' HD12 ' A' ' 43' ' ' LEU . 46.5 mt -51.18 -48.7 61.86 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.47 1.106 . . . . 0.0 109.312 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -69.19 -24.99 64.11 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.543 1.152 . . . . 0.0 110.075 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 2.4 tp10 -77.45 -26.33 51.39 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.569 1.168 . . . . 0.0 110.312 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.682 HD21 ' CZ3' ' A' ' 32' ' ' TRP . 55.7 mt -44.18 -54.54 5.55 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.47 1.106 . . . . 0.0 109.287 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -51.32 -50.5 40.5 Favored Glycine 0 CA--C 1.531 1.057 0 O-C-N 124.481 1.113 . . . . 0.0 110.946 -179.936 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . 0.444 ' CG ' ' CE2' ' A' ' 49' ' ' TRP . 3.5 tt0 -61.06 -29.32 69.67 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.541 0.789 . . . . 0.0 110.265 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . 0.526 ' O ' ' HB2' ' A' ' 50' ' ' ALA . 97.7 m -75.85 -39.79 55.93 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.59 1.181 . . . . 0.0 110.413 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . 0.441 ' OE2' ' N ' ' A' ' 89' ' ' LEU . 4.9 tt0 -65.81 -35.08 79.69 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.459 1.1 . . . . 0.0 110.3 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . 0.413 ' O ' ' HG2' ' A' ' 51' ' ' GLN . 1.6 tttm -76.55 -56.61 4.46 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.444 1.09 . . . . 0.0 109.234 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' TRP . . . . . 0.453 ' HB3' ' CE2' ' A' ' 55' ' ' PHE . 46.9 m0 -54.97 -26.15 34.62 Favored 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.494 1.121 . . . . 0.0 108.04 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.526 ' HB2' ' O ' ' A' ' 46' ' ' THR . . . -68.96 -9.64 53.21 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.591 1.182 . . . . 0.0 109.294 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . 0.413 ' HG2' ' O ' ' A' ' 48' ' ' LYS . 1.6 pt20 -111.71 -9.84 14.1 Favored 'General case' 0 C--N 1.326 -0.414 0 O-C-N 124.509 1.13 . . . . 0.0 110.317 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . 0.431 ' OD1' ' N ' ' A' ' 55' ' ' PHE . 0.8 OUTLIER -58.68 123.66 17.11 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.535 1.147 . . . . 0.0 109.359 179.969 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . 0.443 ' O ' ' N ' ' A' ' 56' ' ' SER . . . -55.3 -50.9 68.36 Favored 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.499 1.124 . . . . 0.0 109.23 -179.939 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 1.2 mmtm -48.65 -33.9 10.79 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.464 1.103 . . . . 0.0 109.35 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . 0.777 ' CZ ' HD12 ' A' ' 60' ' ' LEU . 0.1 OUTLIER -76.84 -28.04 55.33 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.526 1.141 . . . . 0.0 111.035 179.918 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . 0.443 ' N ' ' O ' ' A' ' 53' ' ' ALA . 50.0 m -46.99 -40.84 15.25 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.509 1.13 . . . . 0.0 110.029 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . 0.403 ' C ' ' O ' ' A' ' 56' ' ' SER . 0.3 OUTLIER -39.26 -33.29 0.14 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.482 1.114 . . . . 0.0 109.981 179.997 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . 0.4 ' O ' ' O ' ' A' ' 55' ' ' PHE . . . -132.35 164.63 26.04 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.534 1.146 . . . . 0.0 109.273 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . 0.549 ' HB2' HG23 ' A' ' 27' ' ' THR . 4.0 m-20 -89.6 122.37 32.68 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.536 1.147 . . . . 0.0 109.337 179.93 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.787 ' C ' HD23 ' A' ' 60' ' ' LEU . 1.8 tt -105.87 125.42 50.97 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.496 1.123 . . . . 0.0 109.326 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.497 ' N ' HD23 ' A' ' 60' ' ' LEU . 0.9 OUTLIER -153.84 163.15 1.88 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.564 1.165 . . . . 0.0 109.305 179.977 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . 0.467 ' HB ' ' CD1' ' A' ' 32' ' ' TRP . 30.4 p -115.57 154.7 28.93 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.525 1.141 . . . . 0.0 110.447 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . 0.562 HG22 ' HB ' ' A' ' 92' ' ' VAL . 3.0 t -126.55 145.11 34.63 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 O-C-N 124.557 1.161 . . . . 0.0 109.411 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . 0.565 ' CB ' ' CZ ' ' A' ' 77' ' ' PHE . . . -133.94 149.77 51.28 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.418 1.074 . . . . 0.0 109.228 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . 0.401 ' CB ' ' HB3' ' A' ' 68' ' ' PHE . 3.3 t -123.15 108.52 32.11 Favored Pre-proline 0 C--N 1.326 -0.435 0 O-C-N 124.397 1.06 . . . . 0.0 109.958 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . 0.436 ' HA ' ' O ' ' A' ' 72' ' ' LYS . 18.5 Cg_endo -75.03 135.6 19.23 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.585 1.834 . . . . 0.0 111.032 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 69.78 6.97 57.8 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.54 1.15 . . . . 0.0 110.945 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . 0.476 ' CE1' HD13 ' A' ' 69' ' ' LEU . 39.8 t80 -125.09 128.81 49.05 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.483 0.755 . . . . 0.0 110.992 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 1.074 HD23 ' CE2' ' A' ' 108' ' ' TYR . 0.8 OUTLIER 77.08 21.44 1.11 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.511 1.132 . . . . 0.0 109.331 -179.955 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER 70.93 22.6 4.58 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.518 1.136 . . . . 0.0 109.549 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . 0.403 ' O ' ' C ' ' A' ' 72' ' ' LYS . 0.1 OUTLIER -85.9 145.02 27.35 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.432 1.083 . . . . 0.0 110.308 179.997 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . 0.436 ' O ' ' HA ' ' A' ' 66' ' ' PRO . 1.0 OUTLIER -39.65 142.44 0.31 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.497 1.123 . . . . 0.0 109.212 -179.969 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 4.5 tttp -70.45 159.22 34.63 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.571 1.169 . . . . 0.0 109.292 179.939 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 10.3 t0 -50.51 142.13 11.19 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.472 1.108 . . . . 0.0 109.318 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 89.35 -40.14 3.08 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.481 1.113 . . . . 0.0 111.066 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -78.09 -33.36 50.72 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.48 0.753 . . . . 0.0 109.354 179.936 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 77' ' ' PHE . . . . . 0.565 ' CZ ' ' CB ' ' A' ' 64' ' ' ALA . 32.6 t80 -69.09 -58.05 4.6 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.543 1.152 . . . . 0.0 111.007 179.91 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -54.19 -34.44 60.53 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.498 1.124 . . . . 0.0 110.264 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 11.5 mttt -62.24 -43.13 99.52 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.552 1.157 . . . . 0.0 109.281 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 80' ' ' TRP . . . . . . . . . . . . . 1.3 t90 . . . . . 0 C--N 1.324 -0.531 0 O-C-N 124.521 1.138 . . . . 0.0 108.013 -179.935 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 22.8 tttp . . . . . 0 N--CA 1.453 -0.302 0 N-CA-C 109.259 -0.645 . . . . 0.0 109.259 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . 0.963 HD23 ' HD2' ' A' ' 90' ' ' PRO . 0.7 OUTLIER -71.29 122.41 87.0 Favored Pre-proline 0 C--N 1.324 -0.518 0 O-C-N 124.543 1.152 . . . . 0.0 109.263 -179.936 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 90' ' ' PRO . . . . . 0.963 ' HD2' HD23 ' A' ' 89' ' ' LEU . 17.9 Cg_endo -74.96 128.41 11.49 Favored 'Trans proline' 0 C--N 1.361 1.209 0 O-C-N 124.525 1.803 . . . . 0.0 110.938 -179.949 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . 0.438 HG22 ' OG1' ' A' ' 62' ' ' THR . 55.2 t -147.41 125.23 3.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.48 1.113 . . . . 0.0 109.308 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . 0.571 HG22 HG22 ' A' ' 11' ' ' THR . 39.7 t -108.7 145.56 15.47 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.546 1.154 . . . . 0.0 109.32 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 93' ' ' THR . . . . . 0.498 ' CG2' ' CE1' ' A' ' 77' ' ' PHE . 2.2 p -123.19 114.27 20.05 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.428 1.08 . . . . 0.0 110.417 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 94' ' ' ASP . . . . . 0.589 ' CB ' HD11 ' A' ' 9' ' ' LEU . 67.7 t0 -114.93 110.34 19.49 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.563 1.164 . . . . 0.0 109.304 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 17.7 t-20 -60.55 110.38 1.26 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.467 1.104 . . . . 0.0 109.288 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 90.07 -26.69 9.41 Favored Glycine 0 CA--C 1.529 0.933 0 O-C-N 124.569 1.168 . . . . 0.0 111.024 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 72.33 74.11 0.79 Allowed Glycine 0 CA--C 1.528 0.901 0 N-CA-C 110.988 -0.845 . . . . 0.0 110.988 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 98' ' ' THR . . . . . 0.492 ' O ' ' CB ' ' A' ' 102' ' ' SER . 1.4 m -62.2 -37.45 85.36 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.466 0.745 . . . . 0.0 110.315 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 3.7 mt -81.59 -39.01 16.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.524 1.14 . . . . 0.0 109.311 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -63.81 -47.68 79.87 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.47 1.107 . . . . 0.0 109.261 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 8.3 pt20 -72.94 -32.35 65.21 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.505 1.128 . . . . 0.0 110.28 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 102' ' ' SER . . . . . 0.492 ' CB ' ' O ' ' A' ' 98' ' ' THR . 10.7 t -68.37 -21.57 64.71 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.549 1.156 . . . . 0.0 109.997 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 17.1 mt -106.08 -8.29 17.56 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.448 1.093 . . . . 0.0 109.261 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 7.0 t-20 70.96 47.02 0.44 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.451 1.094 . . . . 0.0 109.31 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 105' ' ' ILE . . . . . 0.699 ' CD1' ' CE1' ' A' ' 31' ' ' PHE . 14.6 mt -85.61 116.79 29.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.409 1.068 . . . . 0.0 109.28 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 6.3 p -145.42 26.6 1.29 Allowed 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.553 1.158 . . . . 0.0 109.954 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 1.5 p -146.66 132.85 13.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.572 1.17 . . . . 0.0 109.229 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 108' ' ' TYR . . . . . 1.074 ' CE2' HD23 ' A' ' 69' ' ' LEU . 20.7 m-30 -130.57 153.37 81.44 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.515 1.135 . . . . 0.0 111.055 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 109' ' ' PRO . . . . . 0.523 ' C ' ' HA ' ' A' ' 108' ' ' TYR . 18.5 Cg_endo -74.89 162.71 92.25 Favored 'Cis proline' 0 C--N 1.359 1.096 0 C-N-CA 121.083 -2.465 . . . . 0.0 111.021 -0.039 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -136.03 163.22 30.81 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.52 1.138 . . . . 0.0 110.009 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 111' ' ' TRP . . . . . 0.558 ' CE3' ' HB2' ' A' ' 30' ' ' LYS . 85.7 m95 -139.86 141.89 36.6 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.505 1.128 . . . . 0.0 108.043 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -135.47 131.7 36.46 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.493 1.12 . . . . 0.0 109.258 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 26.4 tp -108.61 123.7 49.35 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.548 1.155 . . . . 0.0 109.248 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 30.1 mm -112.38 120.45 62.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.527 1.142 . . . . 0.0 109.358 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 115' ' ' GLY . . . . . 0.42 ' N ' ' O ' ' A' ' 119' ' ' ASP . . . -45.87 171.53 0.02 OUTLIER Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.514 1.134 . . . . 0.0 111.0 -179.945 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -79.3 0.84 27.18 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.515 0.773 . . . . 0.0 109.271 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -103.02 -1.2 29.66 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.453 1.095 . . . . 0.0 109.324 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . 81.69 34.43 25.02 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.425 1.078 . . . . 0.0 110.982 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 119' ' ' ASP . . . . . 0.42 ' O ' ' N ' ' A' ' 115' ' ' GLY . 3.5 p-10 -124.65 159.78 30.01 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.572 0.807 . . . . 0.0 109.258 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 42.6 t -65.94 117.5 6.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.491 1.119 . . . . 0.0 109.27 -179.943 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 13.9 tt0 -92.4 -62.29 1.43 Allowed 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.544 1.153 . . . . 0.0 110.259 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 7.6 ttp85 -150.0 158.41 44.14 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.455 1.097 . . . . 0.0 110.244 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 123' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -123.27 141.57 43.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.539 1.149 . . . . 0.0 109.317 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 96.4 t -134.75 120.03 30.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.556 1.16 . . . . 0.0 109.304 179.892 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 54.4 mttt -104.31 110.66 22.97 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.543 1.152 . . . . 0.0 109.301 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . 136.32 -164.1 25.1 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.54 1.15 . . . . 0.0 111.073 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -112.34 139.09 48.19 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.553 0.796 . . . . 0.0 109.959 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 128' ' ' ILE . . . . . 0.47 HG22 ' NE2' ' A' ' 132' ' ' GLN . 7.7 pt -116.86 162.77 14.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.535 1.147 . . . . 0.0 109.276 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 129' ' ' ASN . . . . . . . . . . . . . 1.3 p30 -108.63 166.66 10.63 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.485 1.116 . . . . 0.0 109.318 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 130' ' ' GLU . . . . . 0.411 ' HB2' ' CZ2' ' A' ' 49' ' ' TRP . 1.6 tt0 -46.89 -46.04 20.87 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.482 1.114 . . . . 0.0 110.254 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -52.25 -52.57 51.8 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.489 1.118 . . . . 0.0 109.29 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 132' ' ' GLN . . . . . 0.47 ' NE2' HG22 ' A' ' 128' ' ' ILE . 1.3 mt-30 -51.07 -45.78 61.52 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.369 1.043 . . . . 0.0 110.308 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -54.08 -50.54 66.55 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.474 1.109 . . . . 0.0 109.284 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 10.9 mt . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.45 1.094 . . . . 0.0 109.388 179.927 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.51 HD11 ' HA ' ' A' ' 94' ' ' ASP . 0.5 OUTLIER . . . . . 0 N--CA 1.453 -0.277 0 N-CA-C 109.275 -0.639 . . . . 0.0 109.275 . . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 14.4 mttt -106.21 154.48 20.66 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.483 1.115 . . . . 0.0 109.245 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . 0.489 HG22 HG22 ' A' ' 92' ' ' VAL . 39.8 p -89.79 175.56 7.18 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.54 1.15 . . . . 0.0 110.451 179.916 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -61.16 -15.25 31.74 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.575 1.172 . . . . 0.0 109.318 179.928 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -95.6 22.9 6.58 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.423 1.077 . . . . 0.0 109.244 -179.929 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 48.68 30.09 2.43 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.505 1.128 . . . . 0.0 109.333 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 5.2 mtm180 -102.11 148.17 35.0 Favored Pre-proline 0 C--N 1.326 -0.44 0 O-C-N 124.34 1.025 . . . . 0.0 110.28 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . 0.43 ' HG2' HG23 ' A' ' 19' ' ' VAL . 18.4 Cg_endo -74.95 130.16 13.07 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.545 1.813 . . . . 0.0 111.005 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -57.27 -23.73 50.22 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.567 1.167 . . . . 0.0 109.265 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 30.2 t -56.13 -30.74 62.55 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.502 1.126 . . . . 0.0 110.011 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.43 HG23 ' HG2' ' A' ' 16' ' ' PRO . 97.6 t -57.03 -31.98 38.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.471 1.107 . . . . 0.0 109.302 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 15.5 m-85 -116.77 24.16 11.45 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.487 1.117 . . . . 0.0 111.052 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -125.21 116.36 21.87 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.542 1.151 . . . . 0.0 109.365 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -100.96 124.13 46.19 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.517 1.135 . . . . 0.0 109.295 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.408 ' O ' ' CB ' ' A' ' 24' ' ' ASP . 21.8 mmtm -72.89 54.3 0.37 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.49 1.119 . . . . 0.0 109.298 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . 0.408 ' CB ' ' O ' ' A' ' 23' ' ' LYS . 1.2 p-10 162.54 39.7 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.512 1.132 . . . . 0.0 109.354 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 12.5 mmtm -153.27 151.43 25.78 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.583 1.177 . . . . 0.0 109.34 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.09 126.31 9.83 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.523 1.801 . . . . 0.0 110.985 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 64.0 m -109.32 139.41 44.3 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.464 1.103 . . . . 0.0 110.381 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.412 HD12 ' O ' ' A' ' 112' ' ' ALA . 13.6 tp -123.65 127.79 48.73 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.445 1.091 . . . . 0.0 109.332 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.603 ' HB ' ' HB3' ' A' ' 112' ' ' ALA . 4.0 mt -108.33 149.97 11.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.548 1.155 . . . . 0.0 109.251 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.563 ' HB2' ' CE3' ' A' ' 111' ' ' TRP . 6.2 tptp -137.21 117.29 13.39 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.523 1.139 . . . . 0.0 109.297 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . 0.696 ' CZ ' ' CD1' ' A' ' 105' ' ' ILE . 65.8 m-85 -88.29 140.46 29.46 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.521 1.138 . . . . 0.0 110.966 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' TRP . . . . . 0.772 ' CZ3' HD11 ' A' ' 43' ' ' LEU . 28.3 p-90 -151.21 170.67 18.91 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.568 1.168 . . . . 0.0 108.013 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . 0.503 ' HB1' ' CE2' ' A' ' 35' ' ' TRP . . . -132.46 154.79 49.53 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.563 1.164 . . . . 0.0 109.308 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . 0.445 ' HB3' ' CZ3' ' A' ' 80' ' ' TRP . 0.4 OUTLIER -78.57 -30.53 46.83 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.506 1.129 . . . . 0.0 109.989 -179.945 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' TRP . . . . . 0.503 ' CE2' ' HB1' ' A' ' 33' ' ' ALA . 10.4 p-90 -73.41 -6.77 48.4 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.496 1.123 . . . . 0.0 108.039 179.934 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 49.1 t -96.33 111.43 56.68 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.5 1.125 . . . . 0.0 108.289 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 -33.93 4.21 Favored 'Trans proline' 0 C--N 1.361 1.213 0 O-C-N 124.446 1.761 . . . . 0.0 111.0 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.45 ' O ' HD22 ' A' ' 38' ' ' LEU . 1.5 tm? -63.53 -31.95 73.27 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.579 1.175 . . . . 0.0 109.271 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -78.52 -43.28 27.26 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.487 1.117 . . . . 0.0 108.372 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.533 HD23 ' CD1' ' A' ' 43' ' ' LEU . 16.5 mt -51.36 -47.91 62.66 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.571 1.17 . . . . 0.0 109.304 179.912 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 6.4 p -68.24 -24.94 64.96 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.482 1.114 . . . . 0.0 109.939 -179.927 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 21.3 tt0 -82.2 -23.8 35.25 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.498 1.124 . . . . 0.0 110.285 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.772 HD11 ' CZ3' ' A' ' 32' ' ' TRP . 79.7 mt -46.73 -54.48 9.61 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.449 1.093 . . . . 0.0 109.23 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -57.59 -51.18 59.41 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.46 1.1 . . . . 0.0 111.036 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . 0.482 ' HG2' ' CZ2' ' A' ' 49' ' ' TRP . 1.3 tt0 -54.78 -34.0 62.09 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.473 0.749 . . . . 0.0 110.26 -179.891 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 86.0 m -65.69 -42.58 91.06 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.513 1.133 . . . . 0.0 110.41 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 21.7 tt0 -59.3 -47.82 83.95 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.496 1.123 . . . . 0.0 110.302 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 3.5 ttmt -61.76 -32.49 72.74 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.466 1.104 . . . . 0.0 109.33 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' TRP . . . . . 0.482 ' CZ2' ' HG2' ' A' ' 45' ' ' GLN . 46.3 m0 -78.15 -31.26 49.68 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 107.975 -1.12 . . . . 0.0 107.975 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -79.12 -11.47 59.98 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.594 1.184 . . . . 0.0 109.199 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 1.2 pp0? -109.15 1.62 20.47 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.641 1.213 . . . . 0.0 110.343 179.939 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . 0.454 ' OD1' ' N ' ' A' ' 55' ' ' PHE . 3.0 t70 -76.0 134.16 40.21 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.494 1.121 . . . . 0.0 109.309 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -57.75 -53.82 53.83 Favored 'General case' 0 C--N 1.323 -0.55 0 O-C-N 124.49 1.119 . . . . 0.0 109.344 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . 0.52 ' HB3' HD22 ' A' ' 134' ' ' LEU . 3.3 mmtm -46.77 -41.44 15.32 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.467 1.105 . . . . 0.0 109.321 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . 0.957 ' CZ ' HD12 ' A' ' 60' ' ' LEU . 0.1 OUTLIER -77.53 -27.36 51.62 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.34 1.025 . . . . 0.0 111.069 179.933 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . 0.403 ' O ' ' C ' ' A' ' 57' ' ' SER . 12.0 t -45.8 -40.93 10.32 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.565 1.166 . . . . 0.0 109.941 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . 0.403 ' C ' ' O ' ' A' ' 56' ' ' SER . 16.9 t -38.78 -61.85 0.68 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.486 1.116 . . . . 0.0 109.958 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -98.45 165.65 11.74 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.591 1.182 . . . . 0.0 109.35 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 11.8 m-20 -89.09 133.57 34.32 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.413 1.071 . . . . 0.0 109.24 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.957 HD12 ' CZ ' ' A' ' 55' ' ' PHE . 3.1 tt -125.79 126.39 44.46 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.491 1.119 . . . . 0.0 109.282 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.783 ' N ' HD23 ' A' ' 60' ' ' LEU . 9.4 pt -151.92 162.3 2.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.472 1.107 . . . . 0.0 109.266 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 18.5 p -112.22 157.24 21.14 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.597 1.186 . . . . 0.0 110.398 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . 0.558 HG22 ' HB ' ' A' ' 92' ' ' VAL . 2.4 t -129.82 144.82 36.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 O-C-N 124.552 1.158 . . . . 0.0 109.318 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . 0.668 ' CB ' ' CZ ' ' A' ' 77' ' ' PHE . . . -133.45 149.41 51.77 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.542 1.151 . . . . 0.0 109.261 -179.939 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . 0.47 ' HB3' ' CB ' ' A' ' 68' ' ' PHE . 74.6 m -120.23 108.63 37.89 Favored Pre-proline 0 C--N 1.324 -0.518 0 O-C-N 124.593 1.183 . . . . 0.0 109.96 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.01 131.25 14.07 Favored 'Trans proline' 0 C--N 1.359 1.108 0 O-C-N 124.504 1.792 . . . . 0.0 110.965 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 74.66 7.41 79.75 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.467 1.104 . . . . 0.0 110.979 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . 0.559 ' CD2' HD13 ' A' ' 69' ' ' LEU . 2.4 t80 -108.64 133.52 52.63 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.406 0.709 . . . . 0.0 110.994 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.559 HD13 ' CD2' ' A' ' 68' ' ' PHE . 9.9 mp 57.27 45.32 20.49 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.569 1.168 . . . . 0.0 109.36 -179.919 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER 57.49 41.25 26.29 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.586 1.179 . . . . 0.0 109.575 179.916 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . 0.418 ' HG3' ' N ' ' A' ' 72' ' ' LYS . 4.2 tp10 -100.32 148.92 24.15 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.461 1.101 . . . . 0.0 110.332 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . 0.418 ' N ' ' HG3' ' A' ' 71' ' ' GLU . 19.0 mttt -50.95 133.03 27.36 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.506 1.129 . . . . 0.0 109.324 -179.949 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 2.3 ttmt -65.46 163.2 16.32 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.439 1.087 . . . . 0.0 109.325 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -50.79 149.4 3.42 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.474 1.109 . . . . 0.0 109.359 179.946 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 82.53 -50.45 4.35 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.487 1.117 . . . . 0.0 111.013 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -71.8 -31.02 66.15 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.499 0.764 . . . . 0.0 109.269 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 77' ' ' PHE . . . . . 0.668 ' CZ ' ' CB ' ' A' ' 64' ' ' ALA . 21.1 t80 -77.52 -57.04 4.04 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.442 1.089 . . . . 0.0 111.035 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 17.9 pt20 -50.75 -27.56 7.4 Favored 'General case' 0 C--N 1.327 -0.397 0 O-C-N 124.502 1.126 . . . . 0.0 110.278 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 8.8 mtmt -67.24 -43.28 82.35 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.49 1.119 . . . . 0.0 109.31 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 80' ' ' TRP . . . . . 0.445 ' CZ3' ' HB3' ' A' ' 34' ' ' SER . 3.0 t90 . . . . . 0 C--N 1.325 -0.499 0 O-C-N 124.542 1.151 . . . . 0.0 107.99 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 45.1 mttt . . . . . 0 N--CA 1.453 -0.299 0 N-CA-C 109.269 -0.641 . . . . 0.0 109.269 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . 0.901 HD12 ' HD2' ' A' ' 90' ' ' PRO . 0.1 OUTLIER -76.81 136.87 66.57 Favored Pre-proline 0 C--N 1.324 -0.543 0 O-C-N 124.539 1.149 . . . . 0.0 109.232 179.99 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 90' ' ' PRO . . . . . 0.901 ' HD2' HD12 ' A' ' 89' ' ' LEU . 18.1 Cg_endo -74.99 127.55 10.78 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.426 1.75 . . . . 0.0 110.973 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . 0.406 ' O ' ' HB ' ' A' ' 11' ' ' THR . 17.2 t -143.38 119.78 5.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 O-C-N 124.514 1.134 . . . . 0.0 109.339 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . 0.686 HG21 HD12 ' A' ' 61' ' ' ILE . 61.6 t -109.23 138.15 37.93 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 O-C-N 124.577 1.173 . . . . 0.0 109.241 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 93' ' ' THR . . . . . 0.492 HG22 ' CE1' ' A' ' 77' ' ' PHE . 3.9 p -118.77 117.17 28.16 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.536 1.147 . . . . 0.0 110.396 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 94' ' ' ASP . . . . . 0.715 ' OD2' HD12 ' A' ' 99' ' ' ILE . 60.6 t0 -114.76 111.63 21.55 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.5 1.125 . . . . 0.0 109.372 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 2.7 m120 -60.45 115.92 3.92 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.422 1.076 . . . . 0.0 109.297 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 87.8 -19.77 31.72 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.408 1.068 . . . . 0.0 110.991 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 64.31 71.76 0.81 Allowed Glycine 0 CA--C 1.53 0.989 0 N-CA-C 110.977 -0.849 . . . . 0.0 110.977 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 1.8 m -67.27 -35.36 79.35 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.478 0.752 . . . . 0.0 110.379 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 99' ' ' ILE . . . . . 0.715 HD12 ' OD2' ' A' ' 94' ' ' ASP . 2.7 mp -74.21 -33.6 35.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.454 1.096 . . . . 0.0 109.292 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 100' ' ' ALA . . . . . 0.585 ' HA ' HD12 ' A' ' 105' ' ' ILE . . . -71.45 -38.85 71.27 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.598 1.187 . . . . 0.0 109.316 -179.947 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 1.9 mt-30 -80.46 -35.16 35.29 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.446 1.091 . . . . 0.0 110.256 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 3.5 m -64.98 -37.55 88.04 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.445 1.09 . . . . 0.0 109.957 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . 0.798 ' HB3' HD13 ' A' ' 123' ' ' ILE . 44.4 mt -91.45 -2.43 57.26 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 0.0 109.277 -179.909 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 15.9 t-20 57.31 57.66 4.33 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.494 1.121 . . . . 0.0 109.326 -179.894 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 105' ' ' ILE . . . . . 0.783 HG22 ' H ' ' A' ' 107' ' ' VAL . 88.3 mt -89.58 -82.43 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.528 1.142 . . . . 0.0 109.233 -179.945 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 106' ' ' SER . . . . . 0.411 ' OG ' ' O ' ' A' ' 105' ' ' ILE . 12.6 p 53.9 26.13 5.94 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.551 1.157 . . . . 0.0 110.0 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 107' ' ' VAL . . . . . 0.783 ' H ' HG22 ' A' ' 105' ' ' ILE . 7.4 p -148.7 132.22 7.97 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 O-C-N 124.408 1.067 . . . . 0.0 109.289 179.941 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 108' ' ' TYR . . . . . 0.588 ' CE1' ' HB3' ' A' ' 31' ' ' PHE . 14.5 m-85 -131.34 152.44 80.54 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.497 1.123 . . . . 0.0 110.969 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 109' ' ' PRO . . . . . 0.527 ' C ' ' HA ' ' A' ' 108' ' ' TYR . 18.3 Cg_endo -74.96 165.06 86.92 Favored 'Cis proline' 0 C--N 1.36 1.176 0 C-N-CA 120.99 -2.504 . . . . 0.0 111.023 -0.077 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -145.18 160.86 40.79 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.589 1.181 . . . . 0.0 110.026 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 111' ' ' TRP . . . . . 0.563 ' CE3' ' HB2' ' A' ' 30' ' ' LYS . 91.2 m95 -134.82 139.88 45.42 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.497 1.123 . . . . 0.0 107.97 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 112' ' ' ALA . . . . . 0.603 ' HB3' ' HB ' ' A' ' 29' ' ' ILE . . . -129.15 134.09 47.89 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.481 1.113 . . . . 0.0 109.313 179.881 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 28.0 tp -108.89 123.95 49.89 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.567 1.167 . . . . 0.0 109.27 179.919 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 45.4 mm -112.19 125.39 69.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.428 1.08 . . . . 0.0 109.271 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -49.72 166.8 0.35 Allowed Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.525 1.141 . . . . 0.0 110.996 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -68.98 -11.68 60.96 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.43 0.724 . . . . 0.0 109.278 -179.95 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -86.56 -21.03 27.11 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.506 1.129 . . . . 0.0 109.333 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . 99.78 29.02 7.12 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.487 1.117 . . . . 0.0 110.971 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 1.6 p-10 -119.52 159.0 25.15 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.427 0.722 . . . . 0.0 109.236 -179.939 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 55.6 t -58.49 116.02 1.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.533 1.146 . . . . 0.0 109.305 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 32.5 tt0 -92.89 -61.77 1.52 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.588 1.18 . . . . 0.0 110.294 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -156.33 153.16 28.57 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.532 1.145 . . . . 0.0 110.299 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 123' ' ' ILE . . . . . 0.798 HD13 ' HB3' ' A' ' 103' ' ' LEU . 1.8 tp -106.75 137.35 37.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.479 1.112 . . . . 0.0 109.264 -179.949 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 80.2 t -127.84 111.28 24.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.502 1.126 . . . . 0.0 109.329 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -98.77 127.0 44.56 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.521 1.138 . . . . 0.0 109.314 179.922 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . 129.01 -156.75 21.34 Favored Glycine 0 CA--C 1.529 0.913 0 O-C-N 124.487 1.117 . . . . 0.0 111.008 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -128.46 147.13 50.65 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.455 0.738 . . . . 0.0 110.014 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 128' ' ' ILE . . . . . 0.408 ' HA ' ' OE1' ' A' ' 132' ' ' GLN . 5.2 pt -127.47 162.38 33.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.482 1.114 . . . . 0.0 109.332 -179.922 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 129' ' ' ASN . . . . . . . . . . . . . 2.8 p30 -110.36 167.54 10.12 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.5 1.125 . . . . 0.0 109.32 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 130' ' ' GLU . . . . . 0.406 ' OE2' ' HB3' ' A' ' 133' ' ' ALA . 7.0 tp10 -48.76 -43.48 37.85 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.513 1.133 . . . . 0.0 110.326 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -51.23 -55.59 17.33 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.509 1.131 . . . . 0.0 109.257 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 132' ' ' GLN . . . . . 0.408 ' OE1' ' HA ' ' A' ' 128' ' ' ILE . 4.2 mt-30 -50.91 -47.34 60.86 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.455 1.097 . . . . 0.0 110.3 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 133' ' ' ALA . . . . . 0.406 ' HB3' ' OE2' ' A' ' 130' ' ' GLU . . . -51.84 -46.83 64.53 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.418 1.074 . . . . 0.0 109.341 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 134' ' ' LEU . . . . . 0.52 HD22 ' HB3' ' A' ' 54' ' ' LYS . 16.1 mt . . . . . 0 C--N 1.325 -0.5 0 O-C-N 124.59 1.181 . . . . 0.0 109.3 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.698 HD11 ' CB ' ' A' ' 94' ' ' ASP . 4.0 mm? . . . . . 0 N--CA 1.454 -0.232 0 N-CA-C 109.317 -0.623 . . . . 0.0 109.317 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . 0.417 ' HA ' ' O ' ' A' ' 15' ' ' ARG . 6.6 mttt -112.95 140.54 47.68 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.466 1.104 . . . . 0.0 109.29 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . 0.533 HG22 HG22 ' A' ' 92' ' ' VAL . 20.9 p -78.37 178.13 7.93 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.578 1.173 . . . . 0.0 110.394 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -72.27 -5.86 39.01 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.545 1.153 . . . . 0.0 109.226 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . 0.407 ' OD2' ' N ' ' A' ' 13' ' ' ASP . 0.0 OUTLIER -102.66 23.72 11.6 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.522 1.139 . . . . 0.0 109.29 -179.997 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER 48.64 42.83 19.96 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.563 1.164 . . . . 0.0 109.322 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . 0.417 ' O ' ' HA ' ' A' ' 10' ' ' LYS . 5.6 mtt-85 -122.33 159.53 51.94 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.571 1.169 . . . . 0.0 110.273 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.84 132.26 15.44 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.484 1.781 . . . . 0.0 111.039 179.881 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . 0.491 ' HB1' ' OH ' ' A' ' 20' ' ' TYR . . . -54.45 -27.43 37.3 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.498 1.124 . . . . 0.0 109.301 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . 0.422 ' HA ' ' CB ' ' A' ' 21' ' ' LEU . 57.6 p -56.45 -26.59 54.28 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.454 1.096 . . . . 0.0 109.983 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 2.6 t -40.14 -47.8 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 O-C-N 124.557 1.16 . . . . 0.0 109.299 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' TYR . . . . . 0.621 ' OH ' HG21 ' A' ' 92' ' ' VAL . 17.6 p90 -104.16 -17.29 14.95 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.437 1.086 . . . . 0.0 110.978 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.478 HD12 ' CE1' ' A' ' 20' ' ' TYR . 0.1 OUTLIER -75.79 119.79 20.28 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.451 1.094 . . . . 0.0 109.331 179.963 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . 0.415 ' O ' ' N ' ' A' ' 24' ' ' ASP . 5.6 mttm -124.59 110.42 14.4 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.564 1.165 . . . . 0.0 109.361 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 1.2 tttt -70.55 54.97 0.16 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.563 1.164 . . . . 0.0 109.294 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . 0.415 ' N ' ' O ' ' A' ' 22' ' ' LYS . 34.6 t70 -175.55 31.28 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.46 1.1 . . . . 0.0 109.317 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.486 ' CE ' ' OD1' ' A' ' 59' ' ' ASN . 0.1 OUTLIER -171.8 162.07 4.74 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.509 1.131 . . . . 0.0 109.267 -179.974 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.06 149.15 36.03 Favored 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.402 1.738 . . . . 0.0 110.997 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . 0.873 HG23 ' HB2' ' A' ' 59' ' ' ASN . 54.6 m -133.26 132.65 41.67 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.437 1.086 . . . . 0.0 110.409 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.662 HD21 ' CE3' ' A' ' 111' ' ' TRP . 7.5 tp -112.8 129.43 56.44 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.47 1.106 . . . . 0.0 109.255 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.527 HD11 HG13 ' A' ' 114' ' ' ILE . 1.5 mp -110.24 150.82 12.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.466 1.104 . . . . 0.0 109.348 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.94 ' HZ1' HD12 ' A' ' 60' ' ' LEU . 1.1 mppt? -139.05 117.0 11.63 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.594 1.184 . . . . 0.0 109.288 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . 0.58 ' HB3' ' CE1' ' A' ' 108' ' ' TYR . 71.1 m-85 -86.89 131.36 34.13 Favored 'General case' 0 C--N 1.323 -0.545 0 O-C-N 124.557 1.16 . . . . 0.0 111.075 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' TRP . . . . . 1.083 ' CZ3' HD11 ' A' ' 43' ' ' LEU . 10.6 p-90 -139.51 167.91 21.03 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.473 1.108 . . . . 0.0 108.01 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -132.45 156.42 46.75 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.522 1.139 . . . . 0.0 109.236 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 32.5 t -80.16 -25.03 39.98 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.506 1.129 . . . . 0.0 109.98 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' TRP . . . . . 0.454 ' CD1' ' HG2' ' A' ' 71' ' ' GLU . 14.0 p-90 -84.97 -2.25 57.71 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 108.006 -1.109 . . . . 0.0 108.006 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . 0.676 ' O ' HD12 ' A' ' 40' ' ' LEU . 48.8 t -99.21 115.33 65.8 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.521 1.138 . . . . 0.0 108.254 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.04 -54.39 0.09 OUTLIER 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.472 1.775 . . . . 0.0 110.991 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 3.0 tt -48.11 -27.27 2.25 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.546 1.154 . . . . 0.0 109.325 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 6.3 m -78.63 -54.45 6.11 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.483 1.114 . . . . 0.0 108.345 179.938 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.676 HD12 ' O ' ' A' ' 36' ' ' CYS . 0.3 OUTLIER -51.92 -37.39 52.43 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.435 1.084 . . . . 0.0 109.33 179.955 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 2.9 p -72.76 -25.46 61.19 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.487 1.117 . . . . 0.0 109.981 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 2.3 tp10 -84.38 -17.94 37.73 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.55 1.156 . . . . 0.0 110.321 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 1.083 HD11 ' CZ3' ' A' ' 32' ' ' TRP . 20.4 mt -55.3 -55.06 35.76 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.532 1.145 . . . . 0.0 109.311 -179.905 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -53.14 -52.56 39.37 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.464 1.103 . . . . 0.0 111.03 179.911 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . 0.563 ' HG2' ' CZ2' ' A' ' 49' ' ' TRP . 1.0 OUTLIER -61.74 -35.28 77.64 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.473 0.749 . . . . 0.0 110.232 179.999 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 91.0 m -70.73 -39.21 73.48 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.583 1.177 . . . . 0.0 110.336 -179.926 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 9.9 tt0 -58.64 -38.82 78.92 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.464 1.103 . . . . 0.0 110.287 -179.907 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 14.1 ttpt -78.48 -31.48 47.83 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.52 1.137 . . . . 0.0 109.324 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' TRP . . . . . 0.563 ' CZ2' ' HG2' ' A' ' 45' ' ' GLN . 40.7 m0 -63.17 -29.01 70.45 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.571 1.17 . . . . 0.0 108.042 179.943 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.493 ' HB2' HD22 ' A' ' 60' ' ' LEU . . . -75.23 -11.43 60.07 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.394 1.059 . . . . 0.0 109.278 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 1.8 mm-40 -95.42 -12.24 26.28 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.536 1.148 . . . . 0.0 110.243 -179.925 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 48.4 t0 -70.87 130.2 41.02 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.466 1.103 . . . . 0.0 109.285 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -60.27 -43.62 96.04 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.543 1.152 . . . . 0.0 109.31 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . 0.645 ' CD ' HD22 ' A' ' 134' ' ' LEU . 10.2 mttt -50.0 -38.55 37.87 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.539 1.149 . . . . 0.0 109.257 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . 0.48 ' CE2' ' HB3' ' A' ' 49' ' ' TRP . 0.2 OUTLIER -76.7 -27.89 55.67 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.567 1.167 . . . . 0.0 110.94 179.979 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . 0.414 ' O ' ' C ' ' A' ' 57' ' ' SER . 13.6 p -47.39 -36.93 10.39 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.581 1.176 . . . . 0.0 109.923 -179.958 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . 0.414 ' C ' ' O ' ' A' ' 56' ' ' SER . 0.5 OUTLIER -38.58 -57.1 1.21 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.503 1.127 . . . . 0.0 109.979 -179.971 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -110.11 165.94 11.35 Favored 'General case' 0 C--N 1.323 -0.554 0 O-C-N 124.604 1.19 . . . . 0.0 109.244 -179.945 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . 0.873 ' HB2' HG23 ' A' ' 27' ' ' THR . 2.3 m-20 -88.4 120.89 30.2 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.512 1.133 . . . . 0.0 109.33 179.926 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.94 HD12 ' HZ1' ' A' ' 30' ' ' LYS . 0.8 OUTLIER -104.25 127.22 51.85 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.49 1.119 . . . . 0.0 109.385 179.951 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.505 HD13 ' O ' ' A' ' 28' ' ' LEU . 0.2 OUTLIER -152.95 160.27 3.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.478 1.111 . . . . 0.0 109.248 -179.939 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . 0.481 ' HB ' ' CD1' ' A' ' 32' ' ' TRP . 25.7 p -109.43 154.57 22.42 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.517 1.136 . . . . 0.0 110.288 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 2.6 t -126.52 139.06 52.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.548 1.155 . . . . 0.0 109.303 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -134.71 134.41 41.02 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.442 1.089 . . . . 0.0 109.389 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . 0.442 ' CB ' ' HB3' ' A' ' 68' ' ' PHE . 5.8 m -108.06 107.46 60.26 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.493 1.121 . . . . 0.0 109.995 -179.874 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . 0.437 ' HA ' ' O ' ' A' ' 72' ' ' LYS . 18.3 Cg_endo -75.01 137.65 21.97 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.518 1.799 . . . . 0.0 110.958 -179.928 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 66.85 8.23 47.1 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.391 1.057 . . . . 0.0 110.996 179.945 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . 0.519 ' CE2' HD23 ' A' ' 69' ' ' LEU . 53.6 t80 -123.58 131.94 53.75 Favored 'General case' 0 C--N 1.327 -0.401 0 O-C-N 124.454 0.738 . . . . 0.0 110.965 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.519 HD23 ' CE2' ' A' ' 68' ' ' PHE . 0.3 OUTLIER 75.89 29.5 0.8 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.417 1.073 . . . . 0.0 109.255 179.923 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER 61.59 22.8 13.21 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.51 1.131 . . . . 0.0 109.62 -179.938 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . 0.454 ' HG2' ' CD1' ' A' ' 35' ' ' TRP . 0.0 OUTLIER -88.96 155.93 19.2 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.55 1.156 . . . . 0.0 110.309 179.95 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . 0.437 ' O ' ' HA ' ' A' ' 66' ' ' PRO . 48.9 mmtt -41.62 135.81 2.05 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.513 1.133 . . . . 0.0 109.314 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 1.4 tttt -75.54 164.57 26.21 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.481 1.113 . . . . 0.0 109.231 -179.929 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -51.49 146.2 7.68 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.549 1.156 . . . . 0.0 109.297 179.938 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 84.48 -44.91 3.41 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.543 1.152 . . . . 0.0 110.998 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -68.28 -55.7 11.22 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.469 0.746 . . . . 0.0 109.41 179.92 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 57.0 t80 -56.45 -26.98 55.48 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.509 1.131 . . . . 0.0 110.972 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 7.6 mt-30 -74.09 -29.73 62.0 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.529 1.143 . . . . 0.0 110.266 -179.942 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.97 -32.69 57.45 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.547 1.155 . . . . 0.0 109.363 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 80' ' ' TRP . . . . . . . . . . . . . 2.0 t90 . . . . . 0 C--N 1.325 -0.464 0 O-C-N 124.502 1.126 . . . . 0.0 108.025 179.958 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 48.2 mmtt . . . . . 0 N--CA 1.454 -0.247 0 N-CA-C 109.303 -0.629 . . . . 0.0 109.303 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . 0.737 HD12 ' HD2' ' A' ' 90' ' ' PRO . 8.8 tp -127.4 120.57 22.17 Favored Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.388 1.055 . . . . 0.0 109.276 179.935 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 90' ' ' PRO . . . . . 0.737 ' HD2' HD12 ' A' ' 89' ' ' LEU . 18.2 Cg_endo -75.09 127.43 10.61 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.543 1.812 . . . . 0.0 111.035 179.918 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . 0.425 ' O ' ' HB ' ' A' ' 11' ' ' THR . 73.1 t -135.84 124.66 38.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.485 1.116 . . . . 0.0 109.296 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . 0.621 HG21 ' OH ' ' A' ' 20' ' ' TYR . 45.6 t -121.85 131.76 72.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.492 1.12 . . . . 0.0 109.248 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 2.9 p -117.17 117.88 30.8 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.531 1.145 . . . . 0.0 110.434 179.941 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 94' ' ' ASP . . . . . 0.698 ' CB ' HD11 ' A' ' 9' ' ' LEU . 60.0 t0 -114.86 111.23 20.89 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.56 1.162 . . . . 0.0 109.329 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 32.5 t-20 -60.68 120.89 10.93 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.586 1.178 . . . . 0.0 109.266 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 86.68 -16.65 44.69 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.536 1.147 . . . . 0.0 110.981 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 63.82 60.6 7.1 Favored Glycine 0 CA--C 1.53 1.002 0 N-CA-C 111.001 -0.84 . . . . 0.0 111.001 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 1.9 m -56.74 -42.42 79.24 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.512 0.772 . . . . 0.0 110.414 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 99' ' ' ILE . . . . . 0.543 HD12 ' OD2' ' A' ' 94' ' ' ASP . 3.1 mt -69.43 -37.07 74.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.46 1.1 . . . . 0.0 109.317 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -68.09 -38.29 82.18 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.525 1.141 . . . . 0.0 109.288 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 6.1 mt-30 -80.58 -36.44 32.89 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.514 1.134 . . . . 0.0 110.319 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -60.53 -41.53 94.61 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.538 1.149 . . . . 0.0 109.949 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 18.5 mt -85.11 -20.07 30.9 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.555 1.159 . . . . 0.0 109.281 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 104' ' ' ASN . . . . . 0.438 ' ND2' ' O ' ' A' ' 104' ' ' ASN . 8.2 t30 67.37 53.24 0.76 Allowed 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.562 1.164 . . . . 0.0 109.305 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 105' ' ' ILE . . . . . 0.556 ' CD1' ' CE1' ' A' ' 31' ' ' PHE . 3.7 mt -87.24 -75.91 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.462 1.101 . . . . 0.0 109.258 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 1.2 m 58.98 26.63 15.28 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.547 1.155 . . . . 0.0 110.029 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 107' ' ' VAL . . . . . 0.522 HG12 ' O ' ' A' ' 105' ' ' ILE . 2.4 p -147.65 131.74 9.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.507 1.129 . . . . 0.0 109.292 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 108' ' ' TYR . . . . . 0.58 ' CE1' ' HB3' ' A' ' 31' ' ' PHE . 14.6 m-85 -131.55 151.87 79.44 Favored Pre-proline 0 C--N 1.324 -0.528 0 O-C-N 124.521 1.138 . . . . 0.0 110.98 -179.923 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 109' ' ' PRO . . . . . 0.525 ' C ' ' HA ' ' A' ' 108' ' ' TYR . 18.2 Cg_endo -75.05 171.33 68.68 Favored 'Cis proline' 0 C--N 1.362 1.24 0 C-N-CA 120.954 -2.519 . . . . 0.0 111.013 0.077 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -153.18 160.34 42.82 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.49 1.119 . . . . 0.0 109.96 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 111' ' ' TRP . . . . . 0.824 ' CE3' HD11 ' A' ' 128' ' ' ILE . 17.8 m95 -131.35 139.42 49.51 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 108.018 -1.104 . . . . 0.0 108.018 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 112' ' ' ALA . . . . . 0.429 ' O ' HD12 ' A' ' 29' ' ' ILE . . . -136.26 129.65 31.84 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.441 1.088 . . . . 0.0 109.286 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 113' ' ' LEU . . . . . 0.505 HD23 ' HB3' ' A' ' 121' ' ' GLN . 12.0 tp -110.24 134.06 52.61 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.504 1.128 . . . . 0.0 109.334 179.942 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 114' ' ' ILE . . . . . 0.527 HG13 HD11 ' A' ' 29' ' ' ILE . 4.9 mm -118.29 121.81 68.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.552 1.157 . . . . 0.0 109.305 -179.939 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -47.51 167.77 0.1 OUTLIER Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.478 1.111 . . . . 0.0 110.961 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.17 -5.41 39.06 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.432 0.725 . . . . 0.0 109.324 179.953 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -93.98 -19.82 20.55 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.423 1.077 . . . . 0.0 109.254 -179.937 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . 99.27 27.68 8.04 Favored Glycine 0 CA--C 1.532 1.11 0 O-C-N 124.486 1.117 . . . . 0.0 110.995 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 3.8 p-10 -119.6 151.47 38.61 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.585 0.814 . . . . 0.0 109.301 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 42.6 t -52.79 116.4 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.535 1.147 . . . . 0.0 109.255 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 121' ' ' GLN . . . . . 0.505 ' HB3' HD23 ' A' ' 113' ' ' LEU . 3.1 mm-40 -89.83 -61.43 1.69 Allowed 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.496 1.122 . . . . 0.0 110.353 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -158.34 140.02 13.69 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.444 1.09 . . . . 0.0 110.372 179.906 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 123' ' ' ILE . . . . . . . . . . . . . 15.0 tt -106.55 140.65 23.97 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.471 1.107 . . . . 0.0 109.303 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 3.8 t -129.52 133.11 65.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.505 1.128 . . . . 0.0 109.255 -179.933 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -109.26 116.58 32.16 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.488 1.118 . . . . 0.0 109.255 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . 119.27 164.62 12.8 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.555 1.159 . . . . 0.0 111.005 179.938 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -82.11 162.54 22.47 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.56 0.8 . . . . 0.0 109.912 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 128' ' ' ILE . . . . . 0.824 HD11 ' CE3' ' A' ' 111' ' ' TRP . 28.7 pt -139.37 168.25 18.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.469 1.106 . . . . 0.0 109.266 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 129' ' ' ASN . . . . . . . . . . . . . 3.8 p30 -106.19 169.22 8.63 Favored 'General case' 0 C--N 1.327 -0.406 0 O-C-N 124.53 1.144 . . . . 0.0 109.293 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 32.0 tt0 -50.4 -40.72 50.74 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.494 1.121 . . . . 0.0 110.219 -179.919 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -57.13 -51.72 68.16 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.52 1.137 . . . . 0.0 109.244 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 132' ' ' GLN . . . . . 0.463 ' CB ' ' HB ' ' A' ' 128' ' ' ILE . 0.0 OUTLIER -50.93 -45.87 60.68 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.489 1.118 . . . . 0.0 110.314 179.958 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 133' ' ' ALA . . . . . 0.419 ' HB1' ' CZ ' ' A' ' 55' ' ' PHE . . . -55.37 -48.1 74.79 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.503 1.127 . . . . 0.0 109.231 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 134' ' ' LEU . . . . . 0.645 HD22 ' CD ' ' A' ' 54' ' ' LYS . 16.1 mt . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.549 1.156 . . . . 0.0 109.267 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 3.9 mm? . . . . . 0 N--CA 1.451 -0.4 0 N-CA-C 109.342 -0.614 . . . . 0.0 109.342 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 24.1 mttt -110.93 156.83 20.63 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.471 1.107 . . . . 0.0 109.253 -179.917 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . 0.411 ' HA ' ' O ' ' A' ' 91' ' ' VAL . 7.1 p -86.98 170.77 11.29 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.422 1.076 . . . . 0.0 110.41 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -60.04 -16.33 30.32 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.451 1.094 . . . . 0.0 109.257 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -93.22 21.03 6.31 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.499 1.124 . . . . 0.0 109.245 -179.932 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 51.71 31.71 8.38 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.529 1.143 . . . . 0.0 109.189 179.936 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -103.93 148.51 35.98 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.456 1.098 . . . . 0.0 110.236 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . 0.499 ' HG2' HG23 ' A' ' 19' ' ' VAL . 18.4 Cg_endo -75.02 133.7 16.88 Favored 'Trans proline' 0 C--N 1.361 1.205 0 O-C-N 124.39 1.732 . . . . 0.0 111.009 179.931 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -66.29 -13.81 61.04 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.477 1.111 . . . . 0.0 109.308 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . 0.76 ' HA ' HD23 ' A' ' 21' ' ' LEU . 7.3 t -70.95 -18.72 62.62 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.507 1.129 . . . . 0.0 109.952 -179.904 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.499 HG23 ' HG2' ' A' ' 16' ' ' PRO . 42.7 t -56.5 -32.85 37.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.522 1.139 . . . . 0.0 109.274 179.922 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' TYR . . . . . 0.48 ' CD1' HG12 ' A' ' 19' ' ' VAL . 42.7 m-85 -120.85 25.78 9.48 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.429 1.08 . . . . 0.0 111.007 -179.953 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.76 HD23 ' HA ' ' A' ' 18' ' ' SER . 0.2 OUTLIER -58.6 109.67 0.84 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.415 1.072 . . . . 0.0 109.215 -179.9 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . 0.54 ' CG ' ' O ' ' A' ' 25' ' ' LYS . 0.0 OUTLIER -51.48 92.8 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.456 1.098 . . . . 0.0 109.355 179.951 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.504 ' O ' ' CB ' ' A' ' 24' ' ' ASP . 1.6 mttt -66.57 70.15 0.07 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.496 1.123 . . . . 0.0 109.289 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . 0.504 ' CB ' ' O ' ' A' ' 23' ' ' LYS . 1.5 t70 82.51 38.69 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.441 1.088 . . . . 0.0 109.197 179.894 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.54 ' O ' ' CG ' ' A' ' 22' ' ' LYS . 4.1 mtpt -131.55 162.47 55.96 Favored Pre-proline 0 C--N 1.324 -0.532 0 O-C-N 124.581 1.176 . . . . 0.0 109.269 179.954 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 129.7 12.57 Favored 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.462 1.77 . . . . 0.0 111.023 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 24.0 m -112.32 141.41 46.07 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.478 1.111 . . . . 0.0 110.405 -179.934 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.784 HD12 ' O ' ' A' ' 112' ' ' ALA . 33.1 tp -125.92 126.23 44.05 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.44 1.088 . . . . 0.0 109.326 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.731 ' HB ' ' HB3' ' A' ' 112' ' ' ALA . 9.2 mm -107.9 149.38 11.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.513 1.133 . . . . 0.0 109.34 179.943 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.565 ' HB2' ' CE3' ' A' ' 111' ' ' TRP . 0.4 OUTLIER -139.05 118.93 13.24 Favored 'General case' 0 C--N 1.326 -0.414 0 O-C-N 124.478 1.111 . . . . 0.0 109.274 -179.947 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . 0.561 ' HB3' ' CE1' ' A' ' 108' ' ' TYR . 45.4 m-85 -92.42 134.23 35.14 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.513 1.133 . . . . 0.0 111.102 179.885 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' TRP . . . . . 0.958 ' CH2' HD11 ' A' ' 43' ' ' LEU . 9.0 p-90 -143.49 166.62 24.28 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.529 1.143 . . . . 0.0 108.031 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -130.13 153.86 48.08 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.537 1.148 . . . . 0.0 109.26 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . 0.689 ' O ' HD11 ' A' ' 40' ' ' LEU . 5.7 m -71.52 -33.4 69.15 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.423 1.077 . . . . 0.0 110.023 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 25.1 p-90 -71.87 -12.2 61.16 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 107.957 -1.127 . . . . 0.0 107.957 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 46.6 t -88.46 113.83 57.06 Favored Pre-proline 0 C--N 1.324 -0.514 0 O-C-N 124.511 1.132 . . . . 0.0 108.33 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.08 -51.76 0.11 Allowed 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.503 1.791 . . . . 0.0 111.028 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -49.68 -32.66 13.77 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.575 1.172 . . . . 0.0 109.305 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 1.8 m -74.97 -49.02 21.41 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.559 1.162 . . . . 0.0 108.343 179.946 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.689 HD11 ' O ' ' A' ' 34' ' ' SER . 6.1 mt -51.46 -42.89 61.92 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.634 1.209 . . . . 0.0 109.339 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.1 p -76.16 -25.46 55.28 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.538 1.149 . . . . 0.0 110.087 179.914 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 16.1 tt0 -81.27 -11.38 59.38 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.514 1.134 . . . . 0.0 110.316 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.958 HD11 ' CH2' ' A' ' 32' ' ' TRP . 15.6 mt -55.92 -53.35 57.84 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.514 1.134 . . . . 0.0 109.282 -179.924 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -55.07 -45.99 79.73 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.484 1.115 . . . . 0.0 110.983 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -61.64 -33.51 74.07 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.519 0.776 . . . . 0.0 110.367 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 50.2 m -69.1 -36.75 77.89 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.469 1.106 . . . . 0.0 110.407 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 21.4 tt0 -68.45 -42.3 79.01 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.503 1.127 . . . . 0.0 110.228 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 7.8 tttp -64.57 -33.37 75.77 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.461 1.101 . . . . 0.0 109.322 -179.915 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' TRP . . . . . 0.503 ' CE3' ' CZ ' ' A' ' 55' ' ' PHE . 28.3 m0 -70.86 -34.3 71.5 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 107.976 -1.12 . . . . 0.0 107.976 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -77.45 -11.74 59.88 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.539 1.149 . . . . 0.0 109.337 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 1.6 mt-30 -101.72 -12.54 18.29 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.574 1.171 . . . . 0.0 110.365 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 53.3 t0 -73.1 130.11 39.57 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.561 1.163 . . . . 0.0 109.308 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -62.1 -34.64 76.71 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.572 1.17 . . . . 0.0 109.272 -179.944 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . 0.426 ' HD2' HD13 ' A' ' 134' ' ' LEU . 0.0 OUTLIER -58.09 -39.91 79.77 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.458 1.099 . . . . 0.0 109.317 179.987 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . 0.508 ' CE1' HD12 ' A' ' 60' ' ' LEU . 1.6 m-85 -75.81 -27.37 57.91 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.535 1.147 . . . . 0.0 111.045 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . 0.402 ' O ' ' C ' ' A' ' 57' ' ' SER . 0.2 OUTLIER -45.78 -43.03 12.78 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.541 1.151 . . . . 0.0 110.1 179.931 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . 0.402 ' C ' ' O ' ' A' ' 56' ' ' SER . 2.7 m -38.9 -32.85 0.09 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.487 1.117 . . . . 0.0 109.92 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . 0.402 ' O ' ' O ' ' A' ' 55' ' ' PHE . . . -130.71 165.71 22.31 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.496 1.122 . . . . 0.0 109.347 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . 0.452 ' ND2' ' O ' ' A' ' 20' ' ' TYR . 3.1 m-20 -89.11 133.75 34.26 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.441 1.088 . . . . 0.0 109.33 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.772 HD23 ' N ' ' A' ' 61' ' ' ILE . 3.3 tt -124.87 125.76 44.47 Favored 'General case' 0 C--N 1.323 -0.568 0 O-C-N 124.584 1.178 . . . . 0.0 109.298 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.772 ' N ' HD23 ' A' ' 60' ' ' LEU . 26.2 pt -153.75 160.35 2.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.462 1.101 . . . . 0.0 109.318 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 17.8 p -109.93 157.15 19.55 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.519 1.137 . . . . 0.0 110.455 179.935 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 2.8 t -128.37 144.24 38.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.522 1.139 . . . . 0.0 109.338 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . 0.653 ' CB ' ' CZ ' ' A' ' 77' ' ' PHE . . . -134.07 141.45 47.18 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.526 1.141 . . . . 0.0 109.276 179.924 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . 0.409 ' CB ' ' HB3' ' A' ' 68' ' ' PHE . 77.6 p -117.95 108.74 42.06 Favored Pre-proline 0 C--N 1.326 -0.443 0 O-C-N 124.534 1.146 . . . . 0.0 109.923 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . 0.467 ' HA ' ' O ' ' A' ' 72' ' ' LYS . 18.0 Cg_endo -75.0 137.84 22.25 Favored 'Trans proline' 0 C--N 1.361 1.209 0 O-C-N 124.448 1.762 . . . . 0.0 111.012 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 68.16 10.87 60.33 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.478 1.111 . . . . 0.0 111.077 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . 0.681 ' CE1' HD23 ' A' ' 69' ' ' LEU . 47.9 t80 -122.39 124.94 44.82 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.608 0.828 . . . . 0.0 111.052 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.681 HD23 ' CE1' ' A' ' 68' ' ' PHE . 0.4 OUTLIER 76.23 33.71 0.54 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.43 1.081 . . . . 0.0 109.292 -179.979 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 28.0 m170 65.73 12.75 8.52 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.418 1.074 . . . . 0.0 109.598 179.908 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . 0.411 ' HA ' ' OE1' ' A' ' 71' ' ' GLU . 14.9 tp10 -75.96 151.22 37.31 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.493 1.12 . . . . 0.0 110.29 -179.938 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . 0.467 ' O ' ' HA ' ' A' ' 66' ' ' PRO . 9.1 mmtm -43.52 165.25 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.493 1.12 . . . . 0.0 109.313 179.922 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -96.53 155.44 16.77 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.5 1.125 . . . . 0.0 109.275 179.941 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -46.9 144.73 2.31 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.468 1.105 . . . . 0.0 109.32 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 87.54 -50.11 3.98 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.456 1.097 . . . . 0.0 111.051 -179.942 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -72.27 -32.0 66.26 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.552 0.795 . . . . 0.0 109.324 179.946 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 77' ' ' PHE . . . . . 0.653 ' CZ ' ' CB ' ' A' ' 64' ' ' ALA . 42.3 t80 -76.26 -57.25 3.98 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.486 1.116 . . . . 0.0 110.975 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 17.8 pt20 -50.97 -28.8 10.65 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.528 1.142 . . . . 0.0 110.282 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 2.2 mttt -74.45 -39.7 62.38 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.51 1.131 . . . . 0.0 109.295 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 80' ' ' TRP . . . . . . . . . . . . . 2.4 t90 . . . . . 0 C--N 1.324 -0.502 0 O-C-N 124.499 1.124 . . . . 0.0 107.97 179.999 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.355 0 N-CA-C 109.334 -0.617 . . . . 0.0 109.334 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . 0.937 HD12 ' HD2' ' A' ' 90' ' ' PRO . 0.1 OUTLIER -99.1 135.73 20.73 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.535 1.147 . . . . 0.0 109.288 -179.939 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 90' ' ' PRO . . . . . 0.937 ' HD2' HD12 ' A' ' 89' ' ' LEU . 18.1 Cg_endo -75.1 126.86 10.18 Favored 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.41 1.742 . . . . 0.0 110.929 -179.94 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . 0.411 ' O ' ' HA ' ' A' ' 11' ' ' THR . 13.9 t -141.69 118.39 7.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.52 1.138 . . . . 0.0 109.302 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . 0.494 HG21 HD12 ' A' ' 61' ' ' ILE . 44.8 t -111.58 137.82 42.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.557 1.16 . . . . 0.0 109.317 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 93' ' ' THR . . . . . 0.527 HG22 ' CE1' ' A' ' 77' ' ' PHE . 5.7 p -117.53 119.17 34.21 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.5 1.125 . . . . 0.0 110.406 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 94' ' ' ASP . . . . . 0.4 ' OD2' HD12 ' A' ' 99' ' ' ILE . 62.7 t0 -114.77 111.02 20.6 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.481 1.113 . . . . 0.0 109.286 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 5.6 m120 -60.94 115.94 4.09 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.602 1.189 . . . . 0.0 109.237 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 87.0 -18.44 35.78 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.423 1.077 . . . . 0.0 110.954 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 97' ' ' GLY . . . . . 0.415 ' O ' ' N ' ' A' ' 101' ' ' GLN . . . 64.44 71.61 0.83 Allowed Glycine 0 CA--C 1.53 1.004 0 N-CA-C 110.955 -0.858 . . . . 0.0 110.955 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 1.4 m -62.04 -51.87 66.26 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.49 0.759 . . . . 0.0 110.353 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 99' ' ' ILE . . . . . 0.4 HD12 ' OD2' ' A' ' 94' ' ' ASP . 2.7 mp -64.43 -33.39 62.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.463 1.102 . . . . 0.0 109.316 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -74.29 -34.11 63.43 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.424 1.077 . . . . 0.0 109.32 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 101' ' ' GLN . . . . . 0.415 ' N ' ' O ' ' A' ' 97' ' ' GLY . 0.0 OUTLIER -80.1 -40.19 28.03 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.5 1.125 . . . . 0.0 110.345 179.947 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -60.59 -31.3 70.46 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.511 1.132 . . . . 0.0 110.008 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . 0.618 HD13 HD12 ' A' ' 123' ' ' ILE . 20.3 mt -98.66 -11.42 22.05 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.552 1.158 . . . . 0.0 109.309 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 51.1 t30 62.93 58.02 1.57 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.51 1.131 . . . . 0.0 109.297 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 105' ' ' ILE . . . . . 0.552 HG12 HD11 ' A' ' 123' ' ' ILE . 4.5 mt -100.04 104.9 16.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.482 1.114 . . . . 0.0 109.37 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -121.6 24.2 9.91 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.483 1.115 . . . . 0.0 109.966 -179.881 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 2.0 p -135.4 132.61 52.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.422 1.076 . . . . 0.0 109.273 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 108' ' ' TYR . . . . . 0.561 ' CE1' ' HB3' ' A' ' 31' ' ' PHE . 20.7 m-85 -130.61 152.31 80.2 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.505 1.128 . . . . 0.0 111.052 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 109' ' ' PRO . . . . . 0.53 ' C ' ' HA ' ' A' ' 108' ' ' TYR . 18.4 Cg_endo -74.98 161.25 95.23 Favored 'Cis proline' 0 C--N 1.359 1.112 0 C-N-CA 120.978 -2.509 . . . . 0.0 110.957 0.002 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 110' ' ' SER . . . . . 0.402 ' O ' ' HA ' ' A' ' 30' ' ' LYS . 1.0 OUTLIER -133.88 158.05 44.4 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.459 1.099 . . . . 0.0 110.037 180.0 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 111' ' ' TRP . . . . . 0.565 ' CE3' ' HB2' ' A' ' 30' ' ' LYS . 94.5 m95 -132.43 140.6 48.5 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.572 1.17 . . . . 0.0 108.055 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 112' ' ' ALA . . . . . 0.784 ' O ' HD12 ' A' ' 28' ' ' LEU . . . -126.21 135.46 51.64 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.531 1.145 . . . . 0.0 109.251 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 113' ' ' LEU . . . . . 0.736 HD23 ' HG2' ' A' ' 121' ' ' GLN . 20.0 tp -109.18 130.45 55.49 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.545 1.153 . . . . 0.0 109.324 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 114' ' ' ILE . . . . . 0.66 HD13 ' HA ' ' A' ' 120' ' ' VAL . 7.4 mm -122.63 113.97 40.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.453 1.096 . . . . 0.0 109.309 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 115' ' ' GLY . . . . . 0.432 ' N ' ' O ' ' A' ' 119' ' ' ASP . . . -41.82 164.35 0.02 OUTLIER Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.518 1.136 . . . . 0.0 111.02 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -67.5 -26.59 66.42 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.526 0.78 . . . . 0.0 109.34 179.949 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -71.68 -9.63 58.56 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.467 1.104 . . . . 0.0 109.254 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . 86.52 35.83 10.14 Favored Glycine 0 CA--C 1.529 0.945 0 O-C-N 124.539 1.149 . . . . 0.0 110.994 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 119' ' ' ASP . . . . . 0.432 ' O ' ' N ' ' A' ' 115' ' ' GLY . 1.9 p30 -127.65 148.26 50.38 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.547 0.792 . . . . 0.0 109.385 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 120' ' ' VAL . . . . . 0.66 ' HA ' HD13 ' A' ' 114' ' ' ILE . 92.7 t -50.08 118.98 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 O-C-N 124.444 1.09 . . . . 0.0 109.239 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 121' ' ' GLN . . . . . 0.736 ' HG2' HD23 ' A' ' 113' ' ' LEU . 0.7 OUTLIER -93.14 -62.26 1.41 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.567 1.167 . . . . 0.0 110.372 179.866 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -158.33 158.27 34.02 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.457 1.098 . . . . 0.0 110.323 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 123' ' ' ILE . . . . . 0.618 HD12 HD13 ' A' ' 103' ' ' LEU . 5.3 tt -110.65 134.37 53.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.507 1.129 . . . . 0.0 109.262 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 79.6 t -123.91 115.93 46.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.484 1.115 . . . . 0.0 109.259 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 21.8 mtmt -107.05 114.73 28.98 Favored 'General case' 0 C--N 1.327 -0.412 0 O-C-N 124.541 1.151 . . . . 0.0 109.318 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . 141.56 -154.07 24.48 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.539 1.149 . . . . 0.0 110.939 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -123.39 144.36 49.53 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.527 0.78 . . . . 0.0 109.987 -179.945 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 128' ' ' ILE . . . . . . . . . . . . . 12.7 pt -129.18 162.2 37.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.463 1.102 . . . . 0.0 109.278 -179.933 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 129' ' ' ASN . . . . . 0.448 ' OD1' ' HB3' ' A' ' 131' ' ' ALA . 2.2 p30 -110.29 168.42 9.46 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.484 1.115 . . . . 0.0 109.358 179.887 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 130' ' ' GLU . . . . . 0.502 ' N ' ' CZ2' ' A' ' 49' ' ' TRP . 20.1 tt0 -57.59 -22.93 48.03 Favored 'General case' 0 C--N 1.327 -0.406 0 O-C-N 124.473 1.108 . . . . 0.0 110.353 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 131' ' ' ALA . . . . . 0.448 ' HB3' ' OD1' ' A' ' 129' ' ' ASN . . . -68.87 -54.16 17.22 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.545 1.153 . . . . 0.0 109.284 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 4.6 mt-30 -50.67 -48.62 58.36 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.485 1.115 . . . . 0.0 110.288 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -50.2 -52.66 33.87 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.476 1.11 . . . . 0.0 109.324 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 134' ' ' LEU . . . . . 0.426 HD13 ' HD2' ' A' ' 54' ' ' LYS . 3.6 mt . . . . . 0 C--N 1.326 -0.425 0 O-C-N 124.471 1.107 . . . . 0.0 109.364 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.69 HD11 ' CB ' ' A' ' 94' ' ' ASP . 3.9 mm? . . . . . 0 N--CA 1.453 -0.311 0 N-CA-C 109.22 -0.659 . . . . 0.0 109.22 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . 0.418 ' HA ' ' O ' ' A' ' 15' ' ' ARG . 0.1 OUTLIER -122.54 142.55 50.49 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.48 1.113 . . . . 0.0 109.249 179.975 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . 0.779 HG22 HG22 ' A' ' 92' ' ' VAL . 76.6 p -84.57 168.26 15.54 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.406 1.066 . . . . 0.0 110.465 179.939 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -56.49 -18.76 12.53 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.521 1.138 . . . . 0.0 109.276 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -91.92 13.35 18.8 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.399 1.062 . . . . 0.0 109.314 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 58.83 27.87 16.68 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.533 1.146 . . . . 0.0 109.234 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . 0.418 ' O ' ' HA ' ' A' ' 10' ' ' LYS . 0.3 OUTLIER -98.25 155.85 36.47 Favored Pre-proline 0 C--N 1.326 -0.444 0 O-C-N 124.543 1.152 . . . . 0.0 110.304 179.92 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . 0.899 ' O ' HG22 ' A' ' 19' ' ' VAL . 18.1 Cg_endo -75.09 127.22 10.45 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.554 1.818 . . . . 0.0 111.005 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -47.55 -28.01 2.07 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 0.0 109.262 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -55.75 -18.95 9.47 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.554 1.159 . . . . 0.0 110.004 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.899 HG22 ' O ' ' A' ' 16' ' ' PRO . 3.6 m -48.33 -45.24 13.54 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.396 1.06 . . . . 0.0 109.269 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 11.8 m-85 -112.53 24.32 12.62 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.577 1.173 . . . . 0.0 110.958 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.521 ' HG ' HG21 ' A' ' 27' ' ' THR . 0.2 OUTLIER -134.64 102.66 5.36 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.434 1.084 . . . . 0.0 109.318 179.996 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . 0.511 ' CB ' ' O ' ' A' ' 21' ' ' LEU . 0.1 OUTLIER 163.39 -171.64 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.512 1.133 . . . . 0.0 109.309 179.946 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 66.88 25.73 9.44 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.437 1.086 . . . . 0.0 109.353 -179.936 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 43.16 36.54 1.01 Allowed 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.466 1.104 . . . . 0.0 109.302 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 1.9 mttt -105.96 162.19 20.47 Favored Pre-proline 0 C--N 1.324 -0.519 0 O-C-N 124.471 1.107 . . . . 0.0 109.244 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 145.49 31.43 Favored 'Trans proline' 0 C--N 1.361 1.205 0 O-C-N 124.378 1.725 . . . . 0.0 110.979 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . 0.521 HG21 ' HG ' ' A' ' 21' ' ' LEU . 20.3 m -117.18 142.47 46.99 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.456 1.098 . . . . 0.0 110.364 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.497 HD12 ' HA ' ' A' ' 113' ' ' LEU . 10.9 tp -124.34 127.69 47.98 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.506 1.128 . . . . 0.0 109.366 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.622 HD12 HD13 ' A' ' 114' ' ' ILE . 2.0 mt -108.94 149.83 11.97 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.543 1.152 . . . . 0.0 109.304 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.448 ' HG3' ' CZ2' ' A' ' 111' ' ' TRP . 2.6 tmtt? -138.77 110.73 7.24 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.456 1.097 . . . . 0.0 109.265 -179.955 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . 0.572 ' HB3' ' CE1' ' A' ' 108' ' ' TYR . 55.3 m-85 -82.49 126.01 31.75 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.465 1.103 . . . . 0.0 110.982 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' TRP . . . . . 0.53 ' CE3' HD21 ' A' ' 43' ' ' LEU . 5.1 p-90 -130.21 167.48 18.35 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.564 1.165 . . . . 0.0 107.917 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . 0.634 ' HB1' ' NE1' ' A' ' 35' ' ' TRP . . . -136.49 126.77 26.47 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.467 1.104 . . . . 0.0 109.254 179.945 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -54.46 -27.39 37.14 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.464 1.102 . . . . 0.0 110.061 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' TRP . . . . . 0.634 ' NE1' ' HB1' ' A' ' 33' ' ' ALA . 21.9 p-90 -77.37 -23.8 50.73 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 107.979 -1.119 . . . . 0.0 107.979 179.943 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . 0.415 ' N ' ' O ' ' A' ' 33' ' ' ALA . 42.8 t -75.5 115.03 41.82 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.483 1.115 . . . . 0.0 108.336 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -33.62 4.45 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.519 1.799 . . . . 0.0 111.01 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -65.49 -35.08 79.84 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.511 1.132 . . . . 0.0 109.269 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . 0.444 ' O ' ' N ' ' A' ' 43' ' ' LEU . 47.2 m -69.11 -48.31 62.87 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.59 1.181 . . . . 0.0 108.269 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 73.8 mt -51.46 -47.88 62.98 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.533 1.146 . . . . 0.0 109.385 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.1 p -68.52 -25.23 64.84 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.536 1.148 . . . . 0.0 110.013 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -82.56 -26.5 32.35 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.493 1.121 . . . . 0.0 110.238 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.641 ' O ' HD11 ' A' ' 89' ' ' LEU . 48.9 mt -44.08 -52.89 6.83 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.454 1.096 . . . . 0.0 109.364 179.899 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -57.87 -48.63 80.97 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.425 1.078 . . . . 0.0 110.967 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . 0.424 ' CD ' ' CZ2' ' A' ' 49' ' ' TRP . 36.4 tt0 -61.75 -31.22 71.39 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.454 0.738 . . . . 0.0 110.28 -179.944 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 28.0 m -69.43 -34.6 74.68 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.469 1.106 . . . . 0.0 110.384 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -68.25 -41.84 80.56 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.122 . . . . 0.0 110.279 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 7.1 tttm -68.9 -35.37 76.77 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.464 1.103 . . . . 0.0 109.391 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' TRP . . . . . 0.424 ' CZ2' ' CD ' ' A' ' 45' ' ' GLN . 44.2 m0 -72.19 -31.98 66.39 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.464 1.102 . . . . 0.0 108.086 179.849 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -76.75 -9.4 58.65 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.485 1.115 . . . . 0.0 109.29 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 2.1 mm-40 -104.91 -14.59 15.42 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.48 1.112 . . . . 0.0 110.211 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . 0.426 ' OD1' ' N ' ' A' ' 54' ' ' LYS . 24.1 t0 -65.18 128.59 36.43 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.482 1.114 . . . . 0.0 109.383 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -54.4 -47.87 72.23 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.458 1.099 . . . . 0.0 109.346 -179.918 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . 0.426 ' N ' ' OD1' ' A' ' 52' ' ' ASP . 3.3 mmmt -48.94 -38.42 22.84 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.467 1.105 . . . . 0.0 109.341 179.947 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . 0.996 ' CE1' HD12 ' A' ' 60' ' ' LEU . 1.1 m-85 -76.53 -30.41 57.12 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.484 1.115 . . . . 0.0 111.061 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 1.4 t -46.53 -40.0 11.87 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.455 1.097 . . . . 0.0 109.983 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 70.0 m -39.43 -60.23 0.97 Allowed 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.427 1.079 . . . . 0.0 109.97 -179.95 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -102.87 165.6 10.95 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.535 1.147 . . . . 0.0 109.364 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 67.8 m-20 -89.13 130.85 35.5 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.452 1.095 . . . . 0.0 109.281 179.936 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.996 HD12 ' CE1' ' A' ' 55' ' ' PHE . 3.5 tt -119.69 126.04 50.14 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.461 1.101 . . . . 0.0 109.333 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.74 ' N ' HD23 ' A' ' 60' ' ' LEU . 9.4 pt -152.77 160.25 3.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.528 1.142 . . . . 0.0 109.404 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . 0.507 ' HB ' ' CD1' ' A' ' 32' ' ' TRP . 30.4 p -109.61 153.55 24.03 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.493 1.121 . . . . 0.0 110.376 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . 0.45 ' HB ' ' CG2' ' A' ' 29' ' ' ILE . 1.2 t -125.13 144.73 34.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.554 1.159 . . . . 0.0 109.294 -179.953 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . 0.591 ' CB ' ' CZ ' ' A' ' 77' ' ' PHE . . . -134.53 138.22 44.48 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.562 1.164 . . . . 0.0 109.317 -179.933 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . 0.405 ' CB ' ' HB3' ' A' ' 68' ' ' PHE . 1.8 m -110.89 107.83 57.8 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.478 1.111 . . . . 0.0 109.976 -179.909 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . 0.457 ' HA ' ' O ' ' A' ' 72' ' ' LYS . 18.1 Cg_endo -74.95 134.03 17.39 Favored 'Trans proline' 0 C--N 1.358 1.074 0 O-C-N 124.529 1.805 . . . . 0.0 111.014 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 69.31 5.84 50.99 Favored Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.509 1.131 . . . . 0.0 110.941 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . 0.711 ' CE2' HD23 ' A' ' 69' ' ' LEU . 73.1 t80 -127.94 135.01 49.36 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.55 0.794 . . . . 0.0 110.975 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.711 HD23 ' CE2' ' A' ' 68' ' ' PHE . 0.2 OUTLIER 74.79 25.76 1.44 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.374 1.046 . . . . 0.0 109.288 179.995 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 28.5 m170 63.26 22.41 13.32 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.438 1.086 . . . . 0.0 109.547 179.908 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . 0.411 ' OE2' ' CD1' ' A' ' 35' ' ' TRP . 0.2 OUTLIER -86.83 149.6 24.72 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.461 1.101 . . . . 0.0 110.303 -179.99 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . 0.457 ' O ' ' HA ' ' A' ' 66' ' ' PRO . 3.2 mmpt? -39.78 153.97 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.482 1.114 . . . . 0.0 109.314 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 5.1 tttt -83.04 152.79 25.23 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.46 1.1 . . . . 0.0 109.304 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -48.54 152.32 0.96 Allowed 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.531 1.145 . . . . 0.0 109.35 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 79.83 -51.8 4.1 Favored Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.543 1.152 . . . . 0.0 110.98 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -71.52 -29.19 64.5 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.483 0.755 . . . . 0.0 109.301 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 77' ' ' PHE . . . . . 0.596 ' CE1' ' CG2' ' A' ' 93' ' ' THR . 16.8 t80 -77.66 -57.05 4.02 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.525 1.141 . . . . 0.0 110.957 -179.948 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 16.2 pt20 -51.0 -27.99 8.96 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.485 1.116 . . . . 0.0 110.294 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 3.4 mtmt -74.89 -39.46 61.47 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.556 1.16 . . . . 0.0 109.294 -179.919 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 80' ' ' TRP . . . . . . . . . . . . . 2.5 t90 . . . . . 0 C--N 1.326 -0.432 0 O-C-N 124.554 1.159 . . . . 0.0 107.947 179.994 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.452 -0.332 0 N-CA-C 109.273 -0.64 . . . . 0.0 109.273 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . 0.724 HD23 ' HD2' ' A' ' 90' ' ' PRO . 0.3 OUTLIER -91.21 120.57 68.45 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.562 1.164 . . . . 0.0 109.335 179.988 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 90' ' ' PRO . . . . . 0.724 ' HD2' HD23 ' A' ' 89' ' ' LEU . 18.4 Cg_endo -74.95 127.0 10.37 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.484 1.781 . . . . 0.0 111.007 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . 0.425 ' O ' ' HB ' ' A' ' 11' ' ' THR . 38.2 t -140.32 125.06 19.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.513 1.133 . . . . 0.0 109.297 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . 0.779 HG22 HG22 ' A' ' 11' ' ' THR . 30.4 t -123.16 134.98 64.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.467 1.105 . . . . 0.0 109.3 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 93' ' ' THR . . . . . 0.596 ' CG2' ' CE1' ' A' ' 77' ' ' PHE . 2.0 p -112.69 117.54 32.52 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.463 1.102 . . . . 0.0 110.468 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 94' ' ' ASP . . . . . 0.69 ' CB ' HD11 ' A' ' 9' ' ' LEU . 62.3 t0 -115.0 111.52 21.26 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.561 1.163 . . . . 0.0 109.312 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 11.8 t-20 -58.91 118.8 6.18 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.429 1.081 . . . . 0.0 109.331 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 86.7 -16.56 45.32 Favored Glycine 0 CA--C 1.529 0.93 0 O-C-N 124.484 1.115 . . . . 0.0 111.081 -179.947 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 67.12 58.96 7.37 Favored Glycine 0 CA--C 1.53 1.026 0 N-CA-C 110.991 -0.844 . . . . 0.0 110.991 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 98' ' ' THR . . . . . 0.432 ' O ' ' CB ' ' A' ' 102' ' ' SER . 15.6 m -53.05 -32.09 45.03 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.491 0.76 . . . . 0.0 110.351 -179.951 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 99' ' ' ILE . . . . . 0.753 ' N ' HD13 ' A' ' 99' ' ' ILE . 1.1 mm -73.55 -36.45 47.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.616 1.198 . . . . 0.0 109.258 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 100' ' ' ALA . . . . . 0.404 ' O ' ' N ' ' A' ' 105' ' ' ILE . . . -77.05 -40.21 47.15 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.571 1.169 . . . . 0.0 109.297 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 2.6 tt0 -73.36 -32.55 64.58 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.485 1.116 . . . . 0.0 110.226 -179.94 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 102' ' ' SER . . . . . 0.432 ' CB ' ' O ' ' A' ' 98' ' ' THR . 30.6 t -68.04 -34.6 76.78 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.435 1.085 . . . . 0.0 109.956 -179.95 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . 1.049 HD21 HG11 ' A' ' 120' ' ' VAL . 15.2 mt -109.37 13.39 24.21 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.545 1.153 . . . . 0.0 109.265 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 12.3 t30 40.92 73.12 0.13 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.453 1.096 . . . . 0.0 109.304 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 105' ' ' ILE . . . . . 0.954 HD11 HD11 ' A' ' 123' ' ' ILE . 61.6 mt -110.65 133.05 57.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.4 1.062 . . . . 0.0 109.371 179.919 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 106' ' ' SER . . . . . 0.41 ' HA ' HD21 ' A' ' 69' ' ' LEU . 13.1 p -146.43 33.91 0.96 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.46 1.1 . . . . 0.0 110.011 -179.924 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 2.0 p -147.17 132.33 11.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.548 1.155 . . . . 0.0 109.357 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 108' ' ' TYR . . . . . 0.572 ' CE1' ' HB3' ' A' ' 31' ' ' PHE . 23.0 m-85 -131.03 152.73 81.19 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.499 1.124 . . . . 0.0 111.016 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 109' ' ' PRO . . . . . 0.523 ' C ' ' HA ' ' A' ' 108' ' ' TYR . 18.3 Cg_endo -75.09 157.98 99.18 Favored 'Cis proline' 0 C--N 1.359 1.115 0 C-N-CA 121.04 -2.483 . . . . 0.0 110.979 0.104 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 110' ' ' SER . . . . . 0.414 ' O ' ' HA ' ' A' ' 30' ' ' LYS . 0.4 OUTLIER -130.71 161.0 32.63 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.54 1.15 . . . . 0.0 110.055 -180.0 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 111' ' ' TRP . . . . . 0.448 ' CZ2' ' HG3' ' A' ' 30' ' ' LYS . 76.1 m95 -135.64 139.65 43.93 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 108.016 -1.105 . . . . 0.0 108.016 179.941 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 112' ' ' ALA . . . . . 0.498 ' HB3' ' HB ' ' A' ' 29' ' ' ILE . . . -131.19 132.23 44.56 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.379 1.049 . . . . 0.0 109.236 -179.947 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 113' ' ' LEU . . . . . 0.681 ' C ' HD12 ' A' ' 114' ' ' ILE . 16.6 tp -108.3 126.83 53.28 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.52 1.138 . . . . 0.0 109.285 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 114' ' ' ILE . . . . . 0.681 HD12 ' C ' ' A' ' 113' ' ' LEU . 1.7 mp -113.72 132.8 61.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.508 1.13 . . . . 0.0 109.278 179.941 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 115' ' ' GLY . . . . . 0.416 ' N ' ' HB2' ' A' ' 121' ' ' GLN . . . -52.41 169.67 0.62 Allowed Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.489 1.118 . . . . 0.0 111.016 179.961 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.18 -13.76 62.6 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.565 0.803 . . . . 0.0 109.309 -179.944 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -85.85 -17.57 35.25 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.511 1.132 . . . . 0.0 109.28 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 118' ' ' GLY . . . . . 0.428 ' HA2' ' CG2' ' A' ' 114' ' ' ILE . . . 96.89 32.7 6.38 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.606 1.191 . . . . 0.0 110.982 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 119' ' ' ASP . . . . . 0.514 ' N ' HG23 ' A' ' 114' ' ' ILE . 0.9 OUTLIER -124.72 142.37 51.44 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.557 0.798 . . . . 0.0 109.367 179.922 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 120' ' ' VAL . . . . . 1.049 HG11 HD21 ' A' ' 103' ' ' LEU . 75.1 t -44.69 118.56 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.444 1.09 . . . . 0.0 109.353 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 121' ' ' GLN . . . . . 0.416 ' HB2' ' N ' ' A' ' 115' ' ' GLY . 3.0 tt0 -98.98 -57.54 2.15 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.534 1.147 . . . . 0.0 110.237 -179.912 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -147.83 140.68 24.81 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.533 1.146 . . . . 0.0 110.337 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 123' ' ' ILE . . . . . 0.954 HD11 HD11 ' A' ' 105' ' ' ILE . 0.9 OUTLIER -105.38 134.0 48.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.479 1.112 . . . . 0.0 109.261 -179.928 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 97.5 t -124.47 130.39 73.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.411 1.069 . . . . 0.0 109.275 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 28.6 mttt -117.17 119.4 35.11 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.535 1.147 . . . . 0.0 109.227 -179.945 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . 126.33 -171.77 18.07 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.484 1.115 . . . . 0.0 110.972 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 3.6 m -103.1 135.92 43.87 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.562 0.801 . . . . 0.0 110.045 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 128' ' ' ILE . . . . . . . . . . . . . 18.5 pt -114.96 162.83 12.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.463 1.102 . . . . 0.0 109.331 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 129' ' ' ASN . . . . . . . . . . . . . 3.0 p30 -108.16 168.62 9.17 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.57 1.168 . . . . 0.0 109.33 179.938 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 27.0 tt0 -49.82 -41.64 45.35 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.545 1.153 . . . . 0.0 110.254 -179.919 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -55.43 -53.46 56.04 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.528 1.143 . . . . 0.0 109.278 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -50.91 -45.5 60.31 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.449 1.093 . . . . 0.0 110.354 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -51.38 -45.71 62.53 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.567 1.167 . . . . 0.0 109.332 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 134' ' ' LEU . . . . . 0.402 ' CD2' ' HB3' ' A' ' 54' ' ' LYS . 25.5 mt . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.447 1.092 . . . . 0.0 109.236 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.35 0 CA-C-O 120.446 0.165 . . . . 0.0 110.967 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 3.5 m -52.95 154.55 5.01 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.462 1.101 . . . . 0.0 109.195 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.92 -13.58 21.56 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.556 1.819 . . . . 0.0 110.942 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 2.5 t-160 -76.74 -30.0 56.39 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.45 1.094 . . . . 0.0 109.635 -179.915 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 20.6 m -82.0 -43.62 17.75 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.602 1.189 . . . . 0.0 110.378 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.4 HD12 HD12 ' A' ' 9' ' ' LEU . 16.7 tp -61.96 -43.08 99.58 Favored 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.423 1.077 . . . . 0.0 109.288 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 89.3 p -72.05 -22.88 61.31 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.495 1.122 . . . . 0.0 110.005 -179.904 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 1.3 m -71.89 -28.15 63.32 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.581 1.176 . . . . 0.0 110.397 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.71 HD11 ' CD1' ' A' ' 99' ' ' ILE . 20.8 mt -46.55 165.16 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.414 0 O-C-N 124.501 1.126 . . . . 0.0 109.372 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.412 ' HA ' ' O ' ' A' ' 15' ' ' ARG . 0.4 OUTLIER -133.96 149.02 51.23 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.472 1.108 . . . . 0.0 109.26 -179.921 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . 0.565 HG22 HG22 ' A' ' 92' ' ' VAL . 10.1 p -92.68 177.47 6.09 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.57 1.168 . . . . 0.0 110.454 179.932 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -66.26 -11.44 50.31 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.486 1.116 . . . . 0.0 109.302 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -98.77 20.47 13.0 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.456 1.098 . . . . 0.0 109.309 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 51.57 30.05 6.11 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.48 1.113 . . . . 0.0 109.291 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . 0.412 ' O ' ' HA ' ' A' ' 10' ' ' LYS . 19.7 mtp180 -102.07 153.64 37.89 Favored Pre-proline 0 C--N 1.324 -0.525 0 O-C-N 124.56 1.163 . . . . 0.0 110.247 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.92 130.07 13.01 Favored 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.474 1.776 . . . . 0.0 111.037 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -65.01 -14.51 60.59 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.543 1.152 . . . . 0.0 109.277 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . 0.401 ' O ' ' N ' ' A' ' 21' ' ' LEU . 55.6 p -61.39 -40.32 93.91 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.481 1.113 . . . . 0.0 110.035 -179.947 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 27.2 t -53.33 -23.06 6.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.561 1.163 . . . . 0.0 109.321 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . 0.416 ' CZ ' ' HB3' ' A' ' 90' ' ' PRO . 14.8 m-85 -101.88 23.0 12.04 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.373 1.045 . . . . 0.0 110.979 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.496 ' O ' ' CB ' ' A' ' 22' ' ' LYS . 0.2 OUTLIER -151.53 115.24 4.89 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.44 1.087 . . . . 0.0 109.312 179.975 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . 0.496 ' CB ' ' O ' ' A' ' 21' ' ' LEU . 0.0 OUTLIER 164.27 -178.14 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.518 1.136 . . . . 0.0 109.31 -179.974 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 66.06 26.31 10.77 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.451 1.095 . . . . 0.0 109.244 179.948 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 67.6 m-20 40.43 39.19 0.67 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.608 1.193 . . . . 0.0 109.3 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 1.2 mttp -103.34 160.61 25.61 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.461 1.101 . . . . 0.0 109.346 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 154.45 42.81 Favored 'Trans proline' 0 C--N 1.361 1.217 0 O-C-N 124.423 1.749 . . . . 0.0 110.967 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . 0.545 HG23 ' HB2' ' A' ' 59' ' ' ASN . 40.2 m -129.8 141.12 50.9 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.46 1.1 . . . . 0.0 110.353 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.475 HD13 HD21 ' A' ' 136' ' ' LEU . 16.5 tp -125.32 129.99 51.07 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.425 1.078 . . . . 0.0 109.272 179.949 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.443 HG23 HG23 ' A' ' 63' ' ' VAL . 12.5 mt -110.4 148.22 14.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.473 1.108 . . . . 0.0 109.279 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.563 ' HB2' ' CE3' ' A' ' 111' ' ' TRP . 3.6 tptp -138.35 115.44 10.94 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.55 1.157 . . . . 0.0 109.306 179.943 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . 0.593 ' HB3' ' CE1' ' A' ' 108' ' ' TYR . 61.4 m-85 -86.21 137.3 32.74 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.541 1.15 . . . . 0.0 110.993 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' TRP . . . . . 0.565 ' CZ3' HD11 ' A' ' 43' ' ' LEU . 16.7 p-90 -141.07 171.54 13.92 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.519 1.137 . . . . 0.0 108.025 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . 0.439 ' HB1' ' CE2' ' A' ' 35' ' ' TRP . . . -138.88 146.02 40.65 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.544 1.152 . . . . 0.0 109.265 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . 0.568 ' HB3' ' CZ3' ' A' ' 80' ' ' TRP . 0.3 OUTLIER -69.06 -38.7 79.22 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.5 1.125 . . . . 0.0 110.023 -179.949 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' TRP . . . . . 0.439 ' CE2' ' HB1' ' A' ' 33' ' ' ALA . 14.0 p-90 -69.13 -10.09 55.97 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.526 1.141 . . . . 0.0 107.971 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 43.1 t -94.55 114.99 64.79 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.447 1.092 . . . . 0.0 108.195 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.0 -50.61 0.13 Allowed 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.428 1.751 . . . . 0.0 110.986 179.933 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.422 ' HG ' ' N ' ' A' ' 39' ' ' CYS . 0.3 OUTLIER -50.34 -35.08 26.22 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.57 1.169 . . . . 0.0 109.289 179.973 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . 0.422 ' N ' ' HG ' ' A' ' 38' ' ' LEU . 1.0 OUTLIER -70.54 -50.91 32.58 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.503 1.127 . . . . 0.0 108.311 -179.977 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 43.0 mt -51.13 -47.14 62.1 Favored 'General case' 0 C--N 1.327 -0.41 0 O-C-N 124.463 1.102 . . . . 0.0 109.277 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 9.3 p -67.74 -24.89 65.41 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.526 1.141 . . . . 0.0 110.027 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . 0.41 ' O ' ' N ' ' A' ' 46' ' ' THR . 0.8 OUTLIER -75.87 -28.92 58.35 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.454 1.096 . . . . 0.0 110.294 179.981 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.565 HD11 ' CZ3' ' A' ' 32' ' ' TRP . 13.8 mt -47.94 -54.68 12.0 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.546 1.154 . . . . 0.0 109.343 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -51.62 -44.6 54.26 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.454 1.096 . . . . 0.0 111.05 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . 0.411 ' O ' ' CG ' ' A' ' 49' ' ' TRP . 1.1 tt0 -71.36 -32.0 68.01 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.562 0.801 . . . . 0.0 110.288 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . 0.41 ' N ' ' O ' ' A' ' 42' ' ' GLU . 3.3 m -76.74 -29.14 56.04 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.524 1.14 . . . . 0.0 110.349 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . 0.436 ' N ' ' O ' ' A' ' 43' ' ' LEU . 23.5 tt0 -70.66 -40.15 73.18 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.488 1.118 . . . . 0.0 110.309 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.36 -32.31 48.97 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.459 1.099 . . . . 0.0 109.294 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' TRP . . . . . 0.411 ' CG ' ' O ' ' A' ' 45' ' ' GLN . 30.3 m0 -64.69 -30.45 71.47 Favored 'General case' 0 C--N 1.323 -0.576 0 O-C-N 124.55 1.157 . . . . 0.0 107.969 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -76.37 -9.09 58.38 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.473 1.108 . . . . 0.0 109.359 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 15.4 mt-30 -104.5 -3.37 24.03 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.566 1.166 . . . . 0.0 110.352 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . 0.43 ' OD1' ' N ' ' A' ' 54' ' ' LYS . 4.1 t0 -76.69 131.81 39.0 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.514 1.133 . . . . 0.0 109.221 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -53.59 -48.94 68.78 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.467 1.105 . . . . 0.0 109.209 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . 0.43 ' N ' ' OD1' ' A' ' 52' ' ' ASP . 0.1 OUTLIER -50.38 -43.03 54.24 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.549 1.156 . . . . 0.0 109.286 179.968 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . 0.577 ' CD1' HD12 ' A' ' 60' ' ' LEU . 1.3 m-85 -77.26 -36.2 54.62 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.459 1.099 . . . . 0.0 110.959 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . 0.408 ' O ' ' C ' ' A' ' 57' ' ' SER . 20.5 m -46.71 -44.65 18.92 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.475 1.109 . . . . 0.0 109.979 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . 0.408 ' C ' ' O ' ' A' ' 56' ' ' SER . 0.2 OUTLIER -38.97 -44.95 1.14 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.5 1.125 . . . . 0.0 109.995 -179.983 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -110.86 166.24 11.19 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.434 1.084 . . . . 0.0 109.232 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . 0.545 ' HB2' HG23 ' A' ' 27' ' ' THR . 16.9 m-20 -88.39 127.51 35.5 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.568 1.168 . . . . 0.0 109.221 -179.899 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.577 HD12 ' CD1' ' A' ' 55' ' ' PHE . 6.8 tt -116.97 126.13 52.45 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.487 1.117 . . . . 0.0 109.332 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.933 HD12 HG21 ' A' ' 92' ' ' VAL . 9.5 pt -151.67 160.38 3.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.39 1.057 . . . . 0.0 109.226 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . 0.4 ' OG1' ' HA ' ' A' ' 91' ' ' VAL . 27.4 p -112.14 156.69 21.86 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.444 1.09 . . . . 0.0 110.37 -179.916 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . 0.443 HG23 HG23 ' A' ' 29' ' ' ILE . 3.0 t -129.0 140.95 47.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.508 1.13 . . . . 0.0 109.284 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -134.72 143.56 47.25 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.454 1.096 . . . . 0.0 109.262 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . 0.436 ' CB ' ' HB3' ' A' ' 68' ' ' PHE . 1.6 m -114.13 107.63 51.64 Favored Pre-proline 0 C--N 1.326 -0.423 0 O-C-N 124.535 1.147 . . . . 0.0 110.025 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . 0.487 ' HA ' ' O ' ' A' ' 72' ' ' LYS . 18.2 Cg_endo -75.05 135.51 19.08 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.528 1.804 . . . . 0.0 111.077 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 66.96 8.0 46.5 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.541 1.151 . . . . 0.0 110.913 -179.935 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . 0.504 ' CD1' ' HB2' ' A' ' 69' ' ' LEU . 3.4 t80 -120.05 127.21 52.36 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.454 0.738 . . . . 0.0 111.005 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.749 HD23 ' CE2' ' A' ' 108' ' ' TYR . 5.7 tp 77.38 31.35 0.48 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.539 1.149 . . . . 0.0 109.263 179.944 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 57.3 m80 65.33 14.23 9.3 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.534 1.146 . . . . 0.0 109.668 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . 0.442 ' HB2' ' O ' ' A' ' 68' ' ' PHE . 0.1 OUTLIER -81.04 145.16 31.27 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.459 1.099 . . . . 0.0 110.335 -179.96 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . 0.487 ' O ' ' HA ' ' A' ' 66' ' ' PRO . 0.7 OUTLIER -39.85 152.04 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.443 1.09 . . . . 0.0 109.32 179.997 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 3.7 ttpt -77.92 165.86 23.58 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.437 1.085 . . . . 0.0 109.349 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . 0.419 ' N ' ' HB2' ' A' ' 66' ' ' PRO . 0.0 OUTLIER -65.94 147.04 53.98 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.46 1.1 . . . . 0.0 109.31 179.953 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 86.77 -48.29 3.85 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.514 1.134 . . . . 0.0 110.991 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 78.5 m-20 -76.75 -28.71 55.84 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.536 0.786 . . . . 0.0 109.303 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 4.8 t80 -77.67 -54.95 5.77 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.509 1.13 . . . . 0.0 111.019 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' GLN . . . . . 0.632 ' O ' ' HB2' ' A' ' 82' ' ' ALA . 16.1 pt20 -52.46 -34.93 51.25 Favored 'General case' 0 C--N 1.323 -0.548 0 O-C-N 124.426 1.078 . . . . 0.0 110.344 179.859 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -72.0 -39.58 69.13 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.577 1.173 . . . . 0.0 109.324 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' TRP . . . . . 0.568 ' CZ3' ' HB3' ' A' ' 34' ' ' SER . 7.0 t90 -64.71 -54.15 36.06 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 108.02 -1.104 . . . . 0.0 108.02 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' TYR . . . . . 0.741 ' CZ ' HG21 ' A' ' 91' ' ' VAL . 6.3 t80 -65.72 -28.25 68.92 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.494 1.121 . . . . 0.0 111.108 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . 0.632 ' HB2' ' O ' ' A' ' 78' ' ' GLN . . . -55.27 -23.78 24.78 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.459 1.099 . . . . 0.0 109.362 179.95 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -103.18 18.66 48.39 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.443 1.089 . . . . 0.0 111.053 179.923 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.503 HD11 ' NE1' ' A' ' 80' ' ' TRP . 24.6 mt -130.4 159.96 35.46 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.537 0.787 . . . . 0.0 109.316 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' ASN . . . . . 0.551 ' OD1' HD13 ' A' ' 43' ' ' LEU . 10.7 m120 51.09 -171.02 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.131 . . . . 0.0 109.255 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 40.4 m-85 -113.45 163.05 19.4 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.486 1.116 . . . . 0.0 111.049 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.1 46.31 1.53 Allowed 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.447 1.762 . . . . 0.0 110.956 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 2.5 mtmm -140.6 11.71 2.29 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.536 1.148 . . . . 0.0 109.299 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 0.919 HD12 ' HD2' ' A' ' 90' ' ' PRO . 0.5 OUTLIER -113.72 132.37 22.62 Favored Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.429 1.081 . . . . 0.0 109.294 179.928 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' PRO . . . . . 0.919 ' HD2' HD12 ' A' ' 89' ' ' LEU . 18.3 Cg_endo -74.95 126.88 10.29 Favored 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.46 1.768 . . . . 0.0 111.003 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . 0.741 HG21 ' CZ ' ' A' ' 81' ' ' TYR . 3.7 t -137.81 122.53 23.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 O-C-N 124.512 1.132 . . . . 0.0 109.327 179.939 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . 0.933 HG21 HD12 ' A' ' 61' ' ' ILE . 28.2 t -116.58 134.19 60.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.546 1.154 . . . . 0.0 109.298 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 4.7 p -118.88 118.59 31.94 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.392 1.058 . . . . 0.0 110.377 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 58.6 t0 -114.88 111.18 20.79 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.528 1.142 . . . . 0.0 109.328 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 22.3 t-20 -58.43 113.48 2.0 Allowed 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.511 1.132 . . . . 0.0 109.302 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 87.37 -19.71 30.37 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.482 1.114 . . . . 0.0 111.073 -179.939 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 63.98 71.48 0.84 Allowed Glycine 0 CA--C 1.53 0.976 0 N-CA-C 110.973 -0.851 . . . . 0.0 110.973 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 2.5 m -61.95 -36.77 82.4 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.483 0.754 . . . . 0.0 110.399 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 99' ' ' ILE . . . . . 0.71 ' CD1' HD11 ' A' ' 9' ' ' LEU . 3.1 mt -74.47 -37.74 44.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.545 1.153 . . . . 0.0 109.32 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -70.55 -37.23 74.0 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.452 1.095 . . . . 0.0 109.233 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -79.68 -34.88 39.9 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.517 1.136 . . . . 0.0 110.303 -179.952 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 34.2 t -63.56 -39.16 93.68 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.556 1.16 . . . . 0.0 109.969 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . 0.82 HD13 HD12 ' A' ' 123' ' ' ILE . 58.8 mt -88.93 -1.45 58.1 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.495 1.122 . . . . 0.0 109.324 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 16.5 t-20 54.55 49.88 17.25 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.54 1.15 . . . . 0.0 109.352 -179.906 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 105' ' ' ILE . . . . . 0.5 HG22 ' H ' ' A' ' 107' ' ' VAL . 18.7 mt -83.84 -79.09 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.4 1.063 . . . . 0.0 109.323 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 22.5 p 53.73 32.1 14.1 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.524 1.14 . . . . 0.0 109.983 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 107' ' ' VAL . . . . . 0.5 ' H ' HG22 ' A' ' 105' ' ' ILE . 7.7 p -148.66 132.05 7.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.627 1.204 . . . . 0.0 109.3 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 108' ' ' TYR . . . . . 0.749 ' CE2' HD23 ' A' ' 69' ' ' LEU . 17.4 m-85 -130.76 153.17 81.53 Favored Pre-proline 0 C--N 1.324 -0.538 0 O-C-N 124.603 1.19 . . . . 0.0 111.027 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 109' ' ' PRO . . . . . 0.523 ' C ' ' HA ' ' A' ' 108' ' ' TYR . 18.5 Cg_endo -75.03 173.03 60.03 Favored 'Cis proline' 0 C--N 1.36 1.175 0 C-N-CA 120.982 -2.507 . . . . 0.0 111.006 0.059 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 110' ' ' SER . . . . . 0.404 ' O ' ' HA ' ' A' ' 30' ' ' LYS . 5.1 m -158.18 149.54 21.17 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.536 1.147 . . . . 0.0 109.912 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 111' ' ' TRP . . . . . 0.563 ' CE3' ' HB2' ' A' ' 30' ' ' LYS . 83.5 m95 -123.36 141.59 51.83 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.611 1.194 . . . . 0.0 108.013 179.942 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -133.8 138.14 45.52 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.502 1.126 . . . . 0.0 109.291 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 49.5 tp -108.58 133.45 52.69 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.455 1.097 . . . . 0.0 109.297 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 114' ' ' ILE . . . . . 0.549 HD13 ' HA ' ' A' ' 120' ' ' VAL . 48.7 mm -120.55 115.23 46.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.515 1.135 . . . . 0.0 109.286 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -43.04 166.71 0.01 OUTLIER Glycine 0 CA--C 1.531 1.064 0 O-C-N 124.563 1.165 . . . . 0.0 110.979 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.34 -10.32 49.82 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.534 0.785 . . . . 0.0 109.305 -179.947 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -85.8 -22.12 27.8 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.511 1.132 . . . . 0.0 109.303 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . 99.49 30.28 6.63 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.561 1.163 . . . . 0.0 110.948 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 1.1 p30 -124.07 159.74 29.26 Favored 'General case' 0 C--N 1.323 -0.557 0 O-C-N 124.556 0.798 . . . . 0.0 109.294 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 120' ' ' VAL . . . . . 0.549 ' HA ' HD13 ' A' ' 114' ' ' ILE . 84.1 t -59.64 117.86 2.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.533 1.146 . . . . 0.0 109.286 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -101.46 -55.51 2.51 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.438 1.086 . . . . 0.0 110.337 179.938 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -148.34 142.31 25.86 Favored 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.528 1.142 . . . . 0.0 110.292 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 123' ' ' ILE . . . . . 0.82 HD12 HD13 ' A' ' 103' ' ' LEU . 12.3 tt -114.29 136.83 49.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.509 1.131 . . . . 0.0 109.333 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 73.5 t -122.15 137.21 56.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.545 1.153 . . . . 0.0 109.241 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 9.9 pttt -113.98 119.95 38.95 Favored 'General case' 0 C--N 1.326 -0.415 0 O-C-N 124.477 1.111 . . . . 0.0 109.281 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . 119.67 -146.37 18.04 Favored Glycine 0 CA--C 1.529 0.911 0 O-C-N 124.448 1.093 . . . . 0.0 111.034 -179.931 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -125.99 161.48 27.42 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.382 0.695 . . . . 0.0 109.984 -179.927 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 128' ' ' ILE . . . . . . . . . . . . . 13.9 pt -136.41 166.77 25.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.532 1.145 . . . . 0.0 109.316 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 129' ' ' ASN . . . . . 0.677 ' ND2' ' HB3' ' A' ' 131' ' ' ALA . 1.6 p-10 -106.57 169.17 8.68 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.61 1.194 . . . . 0.0 109.249 -179.929 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 10.4 tt0 -56.57 -36.8 69.73 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.509 1.131 . . . . 0.0 110.318 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 131' ' ' ALA . . . . . 0.677 ' HB3' ' ND2' ' A' ' 129' ' ' ASN . . . -63.16 -50.09 71.76 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.493 1.12 . . . . 0.0 109.282 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 1.3 tt0 -50.95 -44.88 60.56 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.577 1.173 . . . . 0.0 110.315 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 133' ' ' ALA . . . . . 0.486 ' CB ' ' CZ ' ' A' ' 55' ' ' PHE . . . -52.79 -45.64 67.28 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.487 1.117 . . . . 0.0 109.3 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 23.2 mt -57.37 -50.42 73.04 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.486 1.116 . . . . 0.0 109.304 -179.93 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -60.9 -30.29 70.09 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.476 1.11 . . . . 0.0 109.379 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 136' ' ' LEU . . . . . 0.475 HD21 HD13 ' A' ' 28' ' ' LEU . 32.0 tp -69.69 -47.19 64.11 Favored 'General case' 0 C--N 1.327 -0.397 0 O-C-N 124.451 1.094 . . . . 0.0 109.307 179.947 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 137' ' ' ILE . . . . . . . . . . . . . 5.5 mt -70.59 -23.27 24.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.465 1.103 . . . . 0.0 109.258 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -80.36 -47.55 14.29 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.473 1.108 . . . . 0.0 110.291 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 139' ' ' ASP . . . . . 0.434 ' OD1' ' ND2' ' A' ' 141' ' ' ASN . 1.9 t70 -170.14 135.2 1.19 Allowed Pre-proline 0 C--N 1.327 -0.402 0 O-C-N 124.475 1.109 . . . . 0.0 109.213 -179.942 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.05 -21.24 15.96 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.53 1.805 . . . . 0.0 111.006 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 141' ' ' ASN . . . . . 0.434 ' ND2' ' OD1' ' A' ' 139' ' ' ASP . 83.5 m-20 -67.57 -23.71 65.44 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.497 1.123 . . . . 0.0 109.301 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -50.7 121.63 6.12 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.39 1.056 . . . . 0.0 109.249 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 143' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -166.35 135.4 3.04 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.449 1.093 . . . . 0.0 109.248 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.326 -0.455 0 O-C-N 124.476 1.11 . . . . 0.0 109.284 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.7 tmm? . . . . . 0 N--CA 1.453 -0.318 0 CA-C-O 120.52 0.2 . . . . 0.0 111.042 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . 0.468 HG22 HG23 ' A' ' 5' ' ' THR . 3.6 m -122.18 160.57 47.11 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.487 1.117 . . . . 0.0 109.256 -179.914 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . 0.483 ' HA ' ' HB3' ' A' ' 6' ' ' LEU . 18.6 Cg_endo -74.91 -17.39 19.81 Favored 'Trans proline' 0 C--N 1.361 1.231 0 O-C-N 124.477 1.778 . . . . 0.0 111.072 179.948 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 8.0 t60 -59.96 -39.15 84.62 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.515 1.134 . . . . 0.0 109.561 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.468 HG23 HG22 ' A' ' 2' ' ' VAL . 30.9 p -82.88 -40.72 19.86 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.486 1.116 . . . . 0.0 110.338 -179.935 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.624 HD23 HD21 ' A' ' 21' ' ' LEU . 7.1 tp -46.56 -33.23 3.95 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.458 1.099 . . . . 0.0 109.273 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 2.8 t -51.27 -21.74 2.32 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.551 1.157 . . . . 0.0 109.958 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 99.7 m -68.46 -38.56 81.19 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.443 1.09 . . . . 0.0 110.406 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.422 ' HB2' ' O ' ' A' ' 6' ' ' LEU . 3.9 mm? -41.62 150.1 0.11 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.47 1.106 . . . . 0.0 109.211 -179.946 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.406 ' HA ' ' O ' ' A' ' 15' ' ' ARG . 4.5 mmmt -116.37 141.07 48.64 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.486 1.116 . . . . 0.0 109.368 179.933 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . 0.632 HG22 HG22 ' A' ' 92' ' ' VAL . 13.4 p -82.36 -177.38 6.64 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.474 1.109 . . . . 0.0 110.435 -179.923 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . 0.592 ' CB ' ' CE1' ' A' ' 81' ' ' TYR . . . -73.69 -3.98 31.57 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.571 1.169 . . . . 0.0 109.348 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -109.04 26.65 10.37 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.54 1.15 . . . . 0.0 109.326 179.876 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 47.22 36.26 4.42 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.509 1.131 . . . . 0.0 109.309 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . 0.406 ' O ' ' HA ' ' A' ' 10' ' ' LYS . 5.3 mtt180 -111.03 157.35 38.97 Favored Pre-proline 0 C--N 1.326 -0.433 0 O-C-N 124.451 1.094 . . . . 0.0 110.254 -179.948 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . 0.823 ' O ' HG22 ' A' ' 19' ' ' VAL . 18.4 Cg_endo -75.04 128.66 11.63 Favored 'Trans proline' 0 C--N 1.361 1.23 0 O-C-N 124.496 1.787 . . . . 0.0 110.987 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -49.36 -30.91 8.39 Favored 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.507 1.129 . . . . 0.0 109.224 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -55.04 -19.22 6.58 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.49 1.119 . . . . 0.0 109.971 -179.884 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.823 HG22 ' O ' ' A' ' 16' ' ' PRO . 12.2 m -48.05 -48.01 12.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.503 1.127 . . . . 0.0 109.31 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 18.5 m-85 -117.72 24.51 11.01 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.534 1.146 . . . . 0.0 110.995 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.624 HD21 HD23 ' A' ' 6' ' ' LEU . 0.0 OUTLIER -112.83 111.06 21.57 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.527 1.142 . . . . 0.0 109.292 179.978 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -112.38 127.77 56.11 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.397 1.061 . . . . 0.0 109.3 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.9 16.54 2.76 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.474 1.109 . . . . 0.0 109.242 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -144.06 16.74 1.74 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.533 1.145 . . . . 0.0 109.314 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 6.9 mmmt -145.32 154.71 53.83 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.542 1.151 . . . . 0.0 109.23 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.93 128.55 11.63 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.571 1.827 . . . . 0.0 111.012 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 24.8 m -112.1 130.43 55.89 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.551 1.157 . . . . 0.0 110.48 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.785 HD12 ' O ' ' A' ' 112' ' ' ALA . 53.1 tp -111.45 129.57 55.99 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.471 1.107 . . . . 0.0 109.298 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.733 ' HB ' ' HB3' ' A' ' 112' ' ' ALA . 4.4 mt -108.98 149.38 12.24 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 O-C-N 124.555 1.16 . . . . 0.0 109.321 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.558 ' HD2' ' CZ2' ' A' ' 111' ' ' TRP . 12.6 tttt -139.18 117.09 11.62 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.547 1.154 . . . . 0.0 109.285 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . 0.631 ' CZ ' HD12 ' A' ' 105' ' ' ILE . 41.7 m-85 -89.61 120.4 30.86 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.459 1.1 . . . . 0.0 111.027 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' TRP . . . . . 0.768 ' CE3' HD21 ' A' ' 43' ' ' LEU . 6.4 p-90 -127.15 168.34 14.8 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 108.074 -1.084 . . . . 0.0 108.074 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . 0.484 ' HB3' ' HB2' ' A' ' 36' ' ' CYS . . . -132.23 135.65 46.44 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.562 1.164 . . . . 0.0 109.26 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . 0.6 ' O ' HD11 ' A' ' 40' ' ' LEU . 0.5 OUTLIER -63.79 -35.73 81.58 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.497 1.123 . . . . 0.0 110.041 179.986 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 23.6 p-90 -71.46 -19.44 62.22 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.479 1.112 . . . . 0.0 108.041 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . 0.484 ' HB2' ' HB3' ' A' ' 33' ' ' ALA . 37.3 t -81.13 116.54 63.3 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.508 1.13 . . . . 0.0 108.284 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . 0.492 ' HA ' HD12 ' A' ' 40' ' ' LEU . 18.3 Cg_endo -75.06 -46.93 0.21 Allowed 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.483 1.781 . . . . 0.0 110.955 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.561 HD23 ' O ' ' A' ' 38' ' ' LEU . 3.2 tt -52.69 -32.26 41.67 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.477 1.11 . . . . 0.0 109.332 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 36.1 m -77.38 -45.02 27.31 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.482 1.114 . . . . 0.0 108.35 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.6 HD11 ' O ' ' A' ' 34' ' ' SER . 23.2 mt -51.38 -45.3 62.39 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.456 1.097 . . . . 0.0 109.338 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.4 p -70.53 -24.91 62.9 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.479 1.112 . . . . 0.0 109.972 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 2.8 tp10 -78.54 -24.46 45.64 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.572 1.17 . . . . 0.0 110.26 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.768 HD21 ' CE3' ' A' ' 32' ' ' TRP . 70.7 mt -46.33 -54.35 9.14 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.545 1.153 . . . . 0.0 109.24 -179.94 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -55.49 -52.67 46.36 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.409 1.068 . . . . 0.0 110.934 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 7.5 tt0 -56.72 -33.07 66.14 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.547 0.793 . . . . 0.0 110.212 -179.853 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 87.9 m -69.89 -42.63 73.16 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.518 1.137 . . . . 0.0 110.433 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . 0.415 ' HB2' ' ND2' ' A' ' 85' ' ' ASN . 20.3 tt0 -65.81 -33.06 75.0 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.495 1.122 . . . . 0.0 110.256 -179.932 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 11.3 tptt -77.92 -38.7 44.97 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.464 1.103 . . . . 0.0 109.356 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' TRP . . . . . 0.501 ' HB3' ' CE2' ' A' ' 55' ' ' PHE . 40.8 m0 -69.57 -27.89 65.51 Favored 'General case' 0 C--N 1.327 -0.401 0 O-C-N 124.476 1.11 . . . . 0.0 108.01 -179.941 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -75.02 -9.14 58.25 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.485 1.116 . . . . 0.0 109.288 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 4.7 mm-40 -106.14 -16.03 14.71 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.488 1.118 . . . . 0.0 110.318 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 44.6 t0 -63.83 125.19 23.56 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.543 1.152 . . . . 0.0 109.306 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -50.02 -45.51 52.03 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.447 1.092 . . . . 0.0 109.3 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 60.4 mmtt -49.39 -45.06 45.58 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.495 1.122 . . . . 0.0 109.313 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . 0.645 ' CE1' HD12 ' A' ' 60' ' ' LEU . 2.2 m-85 -73.99 -30.78 62.66 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.508 1.13 . . . . 0.0 110.992 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 5.2 t -46.4 -39.03 9.78 Favored 'General case' 0 C--N 1.323 -0.568 0 O-C-N 124.51 1.131 . . . . 0.0 109.935 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 11.8 t -40.71 -56.72 2.08 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.526 1.142 . . . . 0.0 110.052 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -105.96 165.83 10.93 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.459 1.099 . . . . 0.0 109.232 -179.93 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . 0.408 ' N ' ' OD1' ' A' ' 59' ' ' ASN . 0.3 OUTLIER -88.95 123.62 33.47 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.557 1.161 . . . . 0.0 109.263 -179.978 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.741 ' C ' HD23 ' A' ' 60' ' ' LEU . 2.9 tt -109.83 127.57 54.77 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.505 1.128 . . . . 0.0 109.281 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.551 ' N ' HD23 ' A' ' 60' ' ' LEU . 1.0 OUTLIER -151.21 161.48 3.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.511 1.132 . . . . 0.0 109.278 179.995 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . 0.478 ' HB ' ' CD1' ' A' ' 32' ' ' TRP . 34.9 p -116.06 150.92 36.53 Favored 'General case' 0 C--N 1.327 -0.407 0 O-C-N 124.464 1.102 . . . . 0.0 110.395 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . 0.447 HG23 HG23 ' A' ' 29' ' ' ILE . 2.2 t -122.92 144.16 33.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.597 1.185 . . . . 0.0 109.286 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . 0.446 ' N ' ' O ' ' A' ' 92' ' ' VAL . . . -134.59 139.13 45.12 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.531 1.144 . . . . 0.0 109.262 -179.932 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . 0.438 ' CB ' ' HB3' ' A' ' 68' ' ' PHE . 10.0 m -113.18 108.16 53.13 Favored Pre-proline 0 C--N 1.326 -0.416 0 O-C-N 124.445 1.091 . . . . 0.0 109.98 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.91 135.12 18.83 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.525 1.803 . . . . 0.0 111.045 179.936 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 72.32 3.26 56.93 Favored Glycine 0 CA--C 1.531 1.061 0 O-C-N 124.436 1.085 . . . . 0.0 110.99 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . 0.438 ' HB3' ' CB ' ' A' ' 65' ' ' SER . 70.8 t80 -120.97 131.96 54.63 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.475 0.75 . . . . 0.0 111.017 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.423 HD23 ' CE2' ' A' ' 68' ' ' PHE . 0.2 OUTLIER 75.62 20.04 1.95 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.375 1.047 . . . . 0.0 109.297 -179.977 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER 71.09 27.38 3.31 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.472 1.107 . . . . 0.0 109.607 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -90.56 144.09 26.11 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.538 1.149 . . . . 0.0 110.28 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . 0.422 ' HE2' ' CE3' ' A' ' 80' ' ' TRP . 0.9 OUTLIER -40.71 148.85 0.09 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.575 1.172 . . . . 0.0 109.372 179.957 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 13.8 ptmt -74.81 163.11 28.02 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.513 1.133 . . . . 0.0 109.291 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -58.82 139.65 56.12 Favored 'General case' 0 C--N 1.327 -0.408 0 O-C-N 124.528 1.143 . . . . 0.0 109.307 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 90.49 -43.82 2.91 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.413 1.071 . . . . 0.0 110.993 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -74.1 -32.29 63.16 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.55 0.794 . . . . 0.0 109.354 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' PHE . . . . . 0.42 ' CD2' ' N ' ' A' ' 78' ' ' GLN . 5.1 t80 -77.53 -57.69 3.68 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.45 1.094 . . . . 0.0 111.049 179.903 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' GLN . . . . . 0.42 ' N ' ' CD2' ' A' ' 77' ' ' PHE . 16.2 pt20 -51.12 -28.64 11.26 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.514 1.134 . . . . 0.0 110.3 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . 0.547 ' O ' ' HB3' ' A' ' 82' ' ' ALA . 0.2 OUTLIER -68.28 -50.55 52.92 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.54 1.15 . . . . 0.0 109.372 179.984 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' TRP . . . . . 0.665 ' NE1' HD11 ' A' ' 84' ' ' LEU . 5.5 t90 -65.73 -54.39 27.92 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 108.003 -1.11 . . . . 0.0 108.003 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' TYR . . . . . 0.592 ' CE1' ' CB ' ' A' ' 12' ' ' ALA . 0.4 OUTLIER -49.58 -27.81 4.94 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.546 1.154 . . . . 0.0 111.001 -179.987 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . 0.547 ' HB3' ' O ' ' A' ' 79' ' ' LYS . . . -58.94 -25.09 63.17 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.422 1.076 . . . . 0.0 109.309 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -105.76 18.17 41.0 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.479 1.112 . . . . 0.0 110.995 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.665 HD11 ' NE1' ' A' ' 80' ' ' TRP . 93.7 mt -119.48 128.48 54.02 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.454 0.737 . . . . 0.0 109.371 179.917 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' ASN . . . . . 0.575 ' ND2' HD22 ' A' ' 89' ' ' LEU . 3.8 m-20 59.02 -174.41 0.1 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.576 1.173 . . . . 0.0 109.279 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -102.22 172.49 4.31 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.526 1.141 . . . . 0.0 110.963 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 46.73 1.59 Allowed 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.498 1.788 . . . . 0.0 111.03 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 11.1 mttt -140.79 11.72 2.25 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.451 1.094 . . . . 0.0 109.269 179.92 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 0.608 HD12 ' HD2' ' A' ' 90' ' ' PRO . 2.5 tp -108.04 126.08 30.57 Favored Pre-proline 0 C--N 1.323 -0.546 0 O-C-N 124.498 1.124 . . . . 0.0 109.28 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' PRO . . . . . 0.608 ' HD2' HD12 ' A' ' 89' ' ' LEU . 18.5 Cg_endo -74.96 128.14 11.28 Favored 'Trans proline' 0 C--N 1.361 1.22 0 O-C-N 124.518 1.799 . . . . 0.0 111.055 179.927 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . 0.42 ' O ' ' HB ' ' A' ' 11' ' ' THR . 57.9 t -146.47 122.63 3.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.479 1.112 . . . . 0.0 109.296 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . 0.632 HG22 HG22 ' A' ' 11' ' ' THR . 59.6 t -113.59 137.97 44.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.512 1.132 . . . . 0.0 109.292 179.943 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 2.4 p -119.4 115.86 24.96 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.508 1.13 . . . . 0.0 110.348 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . 0.797 ' OD2' HD12 ' A' ' 99' ' ' ILE . 54.5 t0 -114.92 111.77 21.68 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.469 1.106 . . . . 0.0 109.314 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 18.0 t-20 -58.04 119.03 6.06 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.505 1.128 . . . . 0.0 109.302 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 84.98 -12.76 57.0 Favored Glycine 0 CA--C 1.531 1.068 0 O-C-N 124.52 1.137 . . . . 0.0 111.031 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 58.9 64.31 4.41 Favored Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.609 0.829 . . . . 0.0 111.08 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 98' ' ' THR . . . . . 0.466 ' O ' ' CB ' ' A' ' 102' ' ' SER . 2.8 m -62.19 -28.64 69.81 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.528 0.781 . . . . 0.0 110.393 -179.929 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 99' ' ' ILE . . . . . 0.797 HD12 ' OD2' ' A' ' 94' ' ' ASP . 3.0 mt -80.34 -36.88 16.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.491 1.119 . . . . 0.0 109.223 -179.911 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -73.52 -35.89 65.64 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.441 1.088 . . . . 0.0 109.358 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 3.7 tt0 -80.67 -34.55 34.66 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.5 1.125 . . . . 0.0 110.288 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . 0.466 ' CB ' ' O ' ' A' ' 98' ' ' THR . 5.0 m -64.38 -28.06 69.43 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.539 1.15 . . . . 0.0 110.04 179.94 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 8.8 mt -103.08 -14.35 16.46 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.454 1.096 . . . . 0.0 109.28 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 8.2 t30 69.91 58.68 0.28 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.411 1.069 . . . . 0.0 109.318 -179.902 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 105' ' ' ILE . . . . . 0.631 HD12 ' CZ ' ' A' ' 31' ' ' PHE . 9.9 mt -106.24 112.44 39.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.452 1.095 . . . . 0.0 109.28 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 5.3 p -129.77 36.7 4.04 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.503 1.127 . . . . 0.0 109.962 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 1.8 p -148.37 132.71 9.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.539 1.15 . . . . 0.0 109.202 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 108' ' ' TYR . . . . . 0.572 ' CE1' ' HB3' ' A' ' 31' ' ' PHE . 22.6 m-85 -130.52 152.27 80.07 Favored Pre-proline 0 C--N 1.326 -0.446 0 O-C-N 124.538 1.149 . . . . 0.0 111.071 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 109' ' ' PRO . . . . . 0.528 ' C ' ' HA ' ' A' ' 108' ' ' TYR . 18.4 Cg_endo -75.05 161.53 94.63 Favored 'Cis proline' 0 C--N 1.359 1.087 0 C-N-CA 121.023 -2.49 . . . . 0.0 110.976 0.031 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 110' ' ' SER . . . . . 0.411 ' O ' ' HA ' ' A' ' 30' ' ' LYS . 0.4 OUTLIER -136.71 159.18 42.61 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.56 1.163 . . . . 0.0 109.976 -179.923 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 111' ' ' TRP . . . . . 0.558 ' CZ2' ' HD2' ' A' ' 30' ' ' LYS . 62.3 m95 -133.28 140.27 47.37 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 108.002 -1.11 . . . . 0.0 108.002 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 112' ' ' ALA . . . . . 0.785 ' O ' HD12 ' A' ' 28' ' ' LEU . . . -130.33 128.96 42.55 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.489 1.118 . . . . 0.0 109.254 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 113' ' ' LEU . . . . . 0.483 ' O ' HD13 ' A' ' 114' ' ' ILE . 36.5 tp -108.64 133.05 53.28 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.534 1.146 . . . . 0.0 109.295 -179.932 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 114' ' ' ILE . . . . . 0.483 HD13 ' O ' ' A' ' 113' ' ' LEU . 43.8 mm -121.16 117.31 52.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.362 1.038 . . . . 0.0 109.358 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -42.48 165.96 0.02 OUTLIER Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.452 1.095 . . . . 0.0 110.996 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -68.95 -15.37 63.47 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.487 0.757 . . . . 0.0 109.256 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -89.03 -19.89 25.08 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.463 1.102 . . . . 0.0 109.357 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 118' ' ' GLY . . . . . 0.466 ' CA ' ' HG3' ' A' ' 3' ' ' PRO . . . 102.81 24.22 8.26 Favored Glycine 0 CA--C 1.529 0.942 0 O-C-N 124.545 1.153 . . . . 0.0 110.98 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 6.4 p-10 -112.75 135.94 52.91 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.518 0.775 . . . . 0.0 109.278 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 62.8 t -41.11 113.93 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.469 1.106 . . . . 0.0 109.365 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -88.52 -58.99 2.35 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.527 1.142 . . . . 0.0 110.266 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -157.62 136.11 11.23 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.491 1.12 . . . . 0.0 110.327 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 123' ' ' ILE . . . . . . . . . . . . . 13.0 tt -109.27 123.78 65.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.524 1.14 . . . . 0.0 109.272 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 24.9 t -114.71 137.47 48.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.506 1.129 . . . . 0.0 109.256 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 2.5 mtmp? -120.3 115.54 23.76 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.428 1.08 . . . . 0.0 109.307 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . 131.64 -156.73 22.03 Favored Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.619 1.2 . . . . 0.0 111.028 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 5.0 m -115.51 136.91 52.6 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.513 0.773 . . . . 0.0 109.943 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 128' ' ' ILE . . . . . . . . . . . . . 13.3 pt -117.81 166.68 11.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.492 1.12 . . . . 0.0 109.32 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 129' ' ' ASN . . . . . 0.717 ' ND2' ' HB3' ' A' ' 131' ' ' ALA . 1.7 p-10 -106.55 168.53 9.11 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.481 1.113 . . . . 0.0 109.246 -179.913 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -53.75 -42.31 68.07 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.547 1.154 . . . . 0.0 110.385 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 131' ' ' ALA . . . . . 0.717 ' HB3' ' ND2' ' A' ' 129' ' ' ASN . . . -57.27 -51.74 68.16 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.491 1.12 . . . . 0.0 109.306 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 9.9 mt-30 -50.91 -45.4 60.32 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.471 1.107 . . . . 0.0 110.337 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 133' ' ' ALA . . . . . 0.454 ' CB ' ' CZ ' ' A' ' 55' ' ' PHE . . . -52.36 -45.04 65.56 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.413 1.07 . . . . 0.0 109.254 179.944 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 38.9 mt -57.12 -51.2 70.25 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.527 1.142 . . . . 0.0 109.34 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -66.28 -25.53 66.91 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.506 1.129 . . . . 0.0 109.263 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 16.2 tp -73.75 -39.29 64.34 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.456 1.097 . . . . 0.0 109.265 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 137' ' ' ILE . . . . . . . . . . . . . 6.8 mt -81.07 -23.2 10.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 O-C-N 124.502 1.126 . . . . 0.0 109.327 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -73.88 -47.57 37.19 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.471 1.107 . . . . 0.0 110.316 179.94 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -174.8 136.85 0.57 Allowed Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.54 1.15 . . . . 0.0 109.296 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 -15.99 20.56 Favored 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.41 1.742 . . . . 0.0 111.035 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 141' ' ' ASN . . . . . . . . . . . . . 82.2 m-20 -75.63 -17.83 59.87 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.422 1.076 . . . . 0.0 109.351 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -45.42 99.4 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.45 1.094 . . . . 0.0 109.309 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 143' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -68.56 102.69 1.52 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.517 1.135 . . . . 0.0 109.297 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 2.6 pp . . . . . 0 C--N 1.326 -0.451 0 O-C-N 124.516 1.135 . . . . 0.0 109.302 179.993 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.9 ptt? . . . . . 0 N--CA 1.452 -0.362 0 CA-C-O 120.543 0.211 . . . . 0.0 110.992 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . 0.433 ' O ' HG23 ' A' ' 2' ' ' VAL . 16.3 m -125.92 80.11 67.87 Favored Pre-proline 0 C--N 1.326 -0.423 0 O-C-N 124.43 1.081 . . . . 0.0 109.217 -179.945 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.0 -24.11 13.13 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.409 1.741 . . . . 0.0 110.971 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -68.72 -46.7 68.26 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.471 1.107 . . . . 0.0 109.591 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.675 ' O ' HD23 ' A' ' 9' ' ' LEU . 64.5 p -63.06 -52.44 62.75 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.538 1.149 . . . . 0.0 110.352 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 32.8 tp -56.94 -46.24 82.2 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.529 1.143 . . . . 0.0 109.271 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 77.9 p -69.6 -22.87 63.47 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.545 1.153 . . . . 0.0 109.968 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 2.0 m -84.52 -26.07 28.35 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.533 1.146 . . . . 0.0 110.439 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.675 HD23 ' O ' ' A' ' 5' ' ' THR . 3.2 mm? -52.2 158.1 1.22 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.468 1.105 . . . . 0.0 109.301 179.945 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.408 ' HA ' ' O ' ' A' ' 15' ' ' ARG . 17.8 mttt -127.25 156.43 41.91 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.475 1.11 . . . . 0.0 109.274 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . 0.416 ' HA ' ' O ' ' A' ' 91' ' ' VAL . 6.6 p -87.19 176.46 7.56 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.407 1.067 . . . . 0.0 110.474 179.927 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -71.86 -12.04 61.09 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.589 1.181 . . . . 0.0 109.345 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 4.0 p-10 -101.14 27.1 6.38 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.536 1.147 . . . . 0.0 109.29 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 46.38 62.82 2.12 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.48 1.113 . . . . 0.0 109.307 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . 0.408 ' O ' ' HA ' ' A' ' 10' ' ' LYS . 0.1 OUTLIER -136.0 149.82 69.56 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.555 1.159 . . . . 0.0 110.248 179.973 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.01 120.96 6.28 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.47 1.774 . . . . 0.0 110.992 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -63.72 -23.2 67.27 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.474 1.109 . . . . 0.0 109.255 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 12.2 p -64.12 -26.34 68.49 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.561 1.163 . . . . 0.0 110.062 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -58.32 -38.56 69.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.545 1.153 . . . . 0.0 109.323 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 18.1 m-85 -85.71 3.91 38.99 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.457 1.098 . . . . 0.0 110.971 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.481 HD21 HG21 ' A' ' 27' ' ' THR . 0.1 OUTLIER -115.88 114.32 24.55 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.46 1.1 . . . . 0.0 109.319 179.941 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . 0.463 ' CG ' ' O ' ' A' ' 21' ' ' LEU . 0.1 OUTLIER 169.3 -176.79 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.494 1.121 . . . . 0.0 109.284 -179.987 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.421 ' O ' ' C ' ' A' ' 24' ' ' ASP . 0.2 OUTLIER 65.56 23.71 11.76 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.386 1.053 . . . . 0.0 109.281 179.968 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . 0.421 ' C ' ' O ' ' A' ' 23' ' ' LYS . 15.0 m-20 39.18 40.05 0.47 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.563 1.165 . . . . 0.0 109.294 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 8.1 mttp -101.8 162.55 20.04 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.568 1.167 . . . . 0.0 109.287 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.07 156.56 42.71 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.442 1.759 . . . . 0.0 110.992 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . 0.583 HG23 ' HB2' ' A' ' 59' ' ' ASN . 33.8 m -130.22 141.81 50.61 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.608 1.193 . . . . 0.0 110.464 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.534 HD21 ' CE3' ' A' ' 111' ' ' TRP . 12.0 tp -126.28 130.51 51.01 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.582 1.176 . . . . 0.0 109.259 -179.908 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.77 ' HB ' ' HB3' ' A' ' 112' ' ' ALA . 5.4 mp -110.27 149.65 13.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.482 1.114 . . . . 0.0 109.249 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.533 ' HB2' ' CE3' ' A' ' 111' ' ' TRP . 0.7 OUTLIER -138.61 119.2 13.95 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.518 1.136 . . . . 0.0 109.326 179.98 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . 0.581 ' HB3' ' CE1' ' A' ' 108' ' ' TYR . 25.6 m-85 -91.45 131.31 37.0 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.507 1.129 . . . . 0.0 110.967 -179.937 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' TRP . . . . . 0.63 ' CE3' HD21 ' A' ' 43' ' ' LEU . 8.7 p-90 -134.77 167.61 20.55 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.518 1.136 . . . . 0.0 107.981 179.933 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . 0.601 ' HB1' ' CE2' ' A' ' 35' ' ' TRP . . . -131.84 133.1 44.29 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.432 1.083 . . . . 0.0 109.277 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 28.0 t -59.56 -17.64 34.32 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.452 1.095 . . . . 0.0 110.062 179.929 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' TRP . . . . . 0.601 ' CE2' ' HB1' ' A' ' 33' ' ' ALA . 16.9 p-90 -92.29 -15.64 27.14 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.519 1.137 . . . . 0.0 108.022 179.919 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . 0.447 ' HB2' ' HB3' ' A' ' 33' ' ' ALA . 42.0 t -77.45 115.27 48.01 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.508 1.13 . . . . 0.0 108.245 -179.929 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . 0.454 ' HA ' HD12 ' A' ' 40' ' ' LEU . 18.2 Cg_endo -74.95 -33.72 4.44 Favored 'Trans proline' 0 C--N 1.359 1.097 0 O-C-N 124.505 1.792 . . . . 0.0 110.994 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.456 ' O ' HD22 ' A' ' 38' ' ' LEU . 1.6 tm? -65.66 -31.23 72.14 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.483 1.114 . . . . 0.0 109.352 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . 0.449 ' O ' ' N ' ' A' ' 43' ' ' LEU . 52.2 m -78.03 -42.95 30.78 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.53 1.144 . . . . 0.0 108.354 179.884 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.454 HD12 ' HA ' ' A' ' 37' ' ' PRO . 2.3 mt -51.27 -41.86 60.7 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.569 1.168 . . . . 0.0 109.304 179.929 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 83.8 p -75.36 -25.28 57.6 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.449 1.093 . . . . 0.0 110.042 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . 0.419 ' O ' ' N ' ' A' ' 46' ' ' THR . 1.8 tp10 -87.56 -10.9 50.31 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.54 1.15 . . . . 0.0 110.27 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.63 HD21 ' CE3' ' A' ' 32' ' ' TRP . 26.1 mt -53.84 -49.98 67.23 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.539 1.149 . . . . 0.0 109.291 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -67.96 -43.83 80.82 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.405 1.066 . . . . 0.0 110.979 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . 0.46 ' CG ' ' CE2' ' A' ' 49' ' ' TRP . 0.1 OUTLIER -64.06 -30.8 71.84 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.575 0.809 . . . . 0.0 110.27 -179.96 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . 0.419 ' N ' ' O ' ' A' ' 42' ' ' GLU . 89.5 m -74.47 -39.22 62.63 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.472 1.108 . . . . 0.0 110.468 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 34.6 tt0 -69.0 -31.12 69.72 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.565 1.165 . . . . 0.0 110.357 179.904 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.413 ' O ' ' HG3' ' A' ' 51' ' ' GLN . 7.4 tptm -78.32 -54.44 6.2 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.506 1.129 . . . . 0.0 109.373 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' TRP . . . . . 0.522 ' CE2' ' HB2' ' A' ' 130' ' ' GLU . 47.9 m0 -56.75 -26.37 57.19 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 108.027 -1.101 . . . . 0.0 108.027 179.929 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -74.81 -10.6 59.67 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.622 1.201 . . . . 0.0 109.273 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . 0.458 ' O ' ' NE2' ' A' ' 51' ' ' GLN . 0.0 OUTLIER -109.95 -8.86 14.8 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.433 1.083 . . . . 0.0 110.267 -179.96 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . 0.43 ' OD1' ' N ' ' A' ' 54' ' ' LYS . 3.7 t0 -61.44 127.94 33.89 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.475 1.109 . . . . 0.0 109.311 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -55.38 -49.61 71.85 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.447 1.092 . . . . 0.0 109.311 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . 0.54 ' O ' HD13 ' A' ' 137' ' ' ILE . 14.3 mmtt -48.92 -37.82 20.99 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.545 1.153 . . . . 0.0 109.301 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . 0.834 ' CE1' HD12 ' A' ' 60' ' ' LEU . 0.1 OUTLIER -76.91 -27.79 55.05 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.482 1.114 . . . . 0.0 110.96 -179.986 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 9.3 t -46.54 -31.16 2.6 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.468 1.105 . . . . 0.0 110.006 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 1.4 m -45.9 -53.23 10.18 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.469 1.106 . . . . 0.0 110.022 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -111.02 165.61 11.74 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.47 1.106 . . . . 0.0 109.341 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . 0.583 ' HB2' HG23 ' A' ' 27' ' ' THR . 3.9 m-20 -89.18 125.21 34.97 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.494 1.121 . . . . 0.0 109.221 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.834 HD12 ' CE1' ' A' ' 55' ' ' PHE . 3.2 tt -115.69 127.11 54.91 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.503 1.127 . . . . 0.0 109.301 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.744 ' N ' HD23 ' A' ' 60' ' ' LEU . 0.2 OUTLIER -149.88 160.81 4.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.498 1.124 . . . . 0.0 109.3 -179.967 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . 0.518 ' HB ' ' CD1' ' A' ' 32' ' ' TRP . 61.6 p -112.11 152.31 28.42 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.529 1.143 . . . . 0.0 110.348 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . 0.425 HG23 HG23 ' A' ' 29' ' ' ILE . 2.3 t -123.63 142.29 40.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.461 1.101 . . . . 0.0 109.26 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . 0.443 ' HB3' HG22 ' A' ' 93' ' ' THR . . . -134.45 140.06 45.97 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.565 1.166 . . . . 0.0 109.351 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . 0.445 ' CB ' ' HB3' ' A' ' 68' ' ' PHE . 15.8 m -112.37 107.66 55.21 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.562 1.164 . . . . 0.0 109.961 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . 0.423 ' HB2' ' N ' ' A' ' 74' ' ' ASP . 18.3 Cg_endo -75.01 137.96 22.38 Favored 'Trans proline' 0 C--N 1.359 1.11 0 O-C-N 124.646 1.866 . . . . 0.0 110.993 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 66.76 8.21 46.39 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.59 1.181 . . . . 0.0 110.991 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . 0.647 ' CD2' HD13 ' A' ' 69' ' ' LEU . 8.6 t80 -121.08 138.72 54.05 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.528 0.781 . . . . 0.0 110.958 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.677 HD22 ' CE2' ' A' ' 108' ' ' TYR . 8.7 mp 68.56 20.11 8.48 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.529 1.143 . . . . 0.0 109.285 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER 70.28 37.54 1.58 Allowed 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.563 1.164 . . . . 0.0 109.514 179.902 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . 0.43 ' HA ' ' OE2' ' A' ' 71' ' ' GLU . 0.2 OUTLIER -103.85 149.89 24.64 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.429 1.081 . . . . 0.0 110.298 179.991 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . 0.419 ' C ' ' O ' ' A' ' 71' ' ' GLU . 3.3 mmtm -39.24 135.94 0.94 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.456 1.097 . . . . 0.0 109.337 179.889 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -63.79 166.26 7.42 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.51 1.132 . . . . 0.0 109.346 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . 0.423 ' N ' ' HB2' ' A' ' 66' ' ' PRO . 4.8 t70 -66.67 147.25 53.53 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.483 1.115 . . . . 0.0 109.326 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 88.83 -48.91 3.55 Favored Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.583 1.177 . . . . 0.0 111.015 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -76.01 -32.65 59.5 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.461 0.742 . . . . 0.0 109.29 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 57.6 t80 -72.05 -53.36 13.11 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.51 1.131 . . . . 0.0 111.082 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 16.6 pt20 -55.13 -32.99 62.51 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.477 1.111 . . . . 0.0 110.306 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.87 -39.3 72.96 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.5 1.125 . . . . 0.0 109.294 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' TRP . . . . . 0.594 ' CE2' HD11 ' A' ' 84' ' ' LEU . 39.7 t90 -58.72 -49.89 75.93 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.593 1.183 . . . . 0.0 107.997 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 3.3 t80 -66.31 -27.78 68.17 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.471 1.107 . . . . 0.0 110.937 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -77.85 0.21 24.82 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 0.0 109.32 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . 0.414 ' C ' HD23 ' A' ' 84' ' ' LEU . . . -117.33 6.39 16.87 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.412 1.07 . . . . 0.0 110.965 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.594 HD11 ' CE2' ' A' ' 80' ' ' TRP . 0.1 OUTLIER -159.56 174.44 14.61 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.501 0.765 . . . . 0.0 109.335 179.972 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 3.8 m-20 60.47 168.08 0.08 Allowed 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.49 1.119 . . . . 0.0 109.298 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' TYR . . . . . 0.42 ' C ' ' H ' ' A' ' 88' ' ' LYS . 0.1 OUTLIER -99.46 143.62 26.77 Favored Pre-proline 0 C--N 1.326 -0.434 0 O-C-N 124.461 1.101 . . . . 0.0 110.961 -179.994 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 17.9 Cg_endo -75.06 44.9 1.26 Allowed 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.606 1.845 . . . . 0.0 110.946 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . 0.42 ' H ' ' C ' ' A' ' 86' ' ' TYR . 0.0 OUTLIER -127.77 0.96 6.07 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.596 1.185 . . . . 0.0 109.296 -179.999 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 0.403 ' HA ' ' HD3' ' A' ' 90' ' ' PRO . 0.1 OUTLIER -105.6 137.27 19.26 Favored Pre-proline 0 C--N 1.324 -0.525 0 O-C-N 124.573 1.171 . . . . 0.0 109.309 179.977 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' PRO . . . . . 0.448 ' CB ' HG22 ' A' ' 61' ' ' ILE . 18.5 Cg_endo -74.94 127.32 10.64 Favored 'Trans proline' 0 C--N 1.359 1.115 0 O-C-N 124.501 1.79 . . . . 0.0 111.088 179.853 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . 0.416 ' O ' ' HA ' ' A' ' 11' ' ' THR . 88.8 t -142.73 118.13 5.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.477 1.111 . . . . 0.0 109.389 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 43.4 t -109.65 136.92 44.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.477 1.111 . . . . 0.0 109.347 -179.906 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . 0.443 HG22 ' HB3' ' A' ' 64' ' ' ALA . 2.3 p -124.78 118.59 26.74 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.42 1.075 . . . . 0.0 110.377 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . 0.42 ' OD2' HD12 ' A' ' 99' ' ' ILE . 56.2 t0 -114.71 112.1 22.32 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.575 1.172 . . . . 0.0 109.275 -179.903 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -54.77 115.21 2.04 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.477 1.11 . . . . 0.0 109.282 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 88.23 -22.11 21.07 Favored Glycine 0 CA--C 1.529 0.921 0 O-C-N 124.498 1.124 . . . . 0.0 111.031 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 73.19 61.72 3.35 Favored Glycine 0 CA--C 1.531 1.034 0 N-CA-C 110.916 -0.874 . . . . 0.0 110.916 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 98' ' ' THR . . . . . 0.514 ' O ' ' CB ' ' A' ' 102' ' ' SER . 1.4 m -58.19 -37.53 74.93 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.526 0.78 . . . . 0.0 110.373 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 99' ' ' ILE . . . . . 0.539 ' O ' HD12 ' A' ' 103' ' ' LEU . 2.4 mt -72.9 -30.26 31.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.593 1.183 . . . . 0.0 109.343 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -76.62 -49.26 16.7 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.43 1.082 . . . . 0.0 109.295 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 5.6 pt20 -70.31 -29.06 65.69 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.475 1.109 . . . . 0.0 110.276 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . 0.514 ' CB ' ' O ' ' A' ' 98' ' ' THR . 12.6 t -67.81 -34.61 77.09 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.599 1.187 . . . . 0.0 110.104 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . 0.539 HD12 ' O ' ' A' ' 99' ' ' ILE . 2.6 mt -107.7 9.9 29.04 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.501 1.125 . . . . 0.0 109.314 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 15.9 t-20 50.28 68.57 0.74 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.4 1.062 . . . . 0.0 109.258 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 105' ' ' ILE . . . . . 0.614 HD11 HD11 ' A' ' 123' ' ' ILE . 48.9 mt -112.49 106.44 20.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.446 1.091 . . . . 0.0 109.311 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . 0.571 ' HA ' HD21 ' A' ' 69' ' ' LEU . 11.5 p -131.17 34.16 4.05 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.554 1.159 . . . . 0.0 110.062 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 2.4 p -145.83 132.91 14.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.428 1.08 . . . . 0.0 109.325 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 108' ' ' TYR . . . . . 0.677 ' CE2' HD22 ' A' ' 69' ' ' LEU . 21.9 m-30 -130.52 152.67 80.76 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.552 1.158 . . . . 0.0 110.957 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 109' ' ' PRO . . . . . 0.535 ' C ' ' HA ' ' A' ' 108' ' ' TYR . 18.2 Cg_endo -75.05 166.89 82.05 Favored 'Cis proline' 0 C--N 1.361 1.22 0 C-N-CA 121.04 -2.483 . . . . 0.0 111.02 0.015 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 1.4 m -145.51 155.79 43.31 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.483 1.114 . . . . 0.0 109.984 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 111' ' ' TRP . . . . . 0.534 ' CE3' HD21 ' A' ' 28' ' ' LEU . 88.6 m95 -129.28 142.1 50.93 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 107.991 -1.114 . . . . 0.0 107.991 -179.949 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 112' ' ' ALA . . . . . 0.77 ' HB3' ' HB ' ' A' ' 29' ' ' ILE . . . -127.29 138.58 53.09 Favored 'General case' 0 C--N 1.323 -0.557 0 O-C-N 124.592 1.182 . . . . 0.0 109.355 179.909 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 22.3 tp -109.1 127.61 54.29 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.527 1.142 . . . . 0.0 109.3 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 114' ' ' ILE . . . . . 0.595 HD13 ' HA ' ' A' ' 120' ' ' VAL . 43.1 mm -119.78 115.76 48.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 O-C-N 124.555 1.16 . . . . 0.0 109.285 -179.956 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -43.54 167.49 0.02 OUTLIER Glycine 0 CA--C 1.529 0.946 0 O-C-N 124.445 1.091 . . . . 0.0 111.037 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 6.8 pttt -69.43 -13.64 62.47 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.487 0.757 . . . . 0.0 109.295 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -87.3 -21.65 25.62 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.547 1.154 . . . . 0.0 109.322 179.946 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . 103.2 25.02 7.63 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.508 1.13 . . . . 0.0 111.087 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 4.7 p-10 -112.21 152.61 28.19 Favored 'General case' 0 C--N 1.327 -0.394 0 O-C-N 124.492 0.76 . . . . 0.0 109.272 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 120' ' ' VAL . . . . . 0.595 ' HA ' HD13 ' A' ' 114' ' ' ILE . 55.9 t -58.13 113.18 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.554 1.159 . . . . 0.0 109.299 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 3.2 mt-30 -86.49 -57.6 2.94 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.446 1.091 . . . . 0.0 110.341 179.931 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 122' ' ' ARG . . . . . 0.415 ' HB2' HD21 ' A' ' 144' ' ' LEU . 2.1 ttt180 -158.22 158.16 33.98 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.537 1.148 . . . . 0.0 110.187 -179.935 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 123' ' ' ILE . . . . . 0.614 HD11 HD11 ' A' ' 105' ' ' ILE . 1.0 OUTLIER -115.01 135.38 55.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.491 1.119 . . . . 0.0 109.302 179.914 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 62.7 t -129.69 131.66 66.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.516 1.135 . . . . 0.0 109.368 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 14.9 ptmt -114.19 135.43 54.06 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.642 1.213 . . . . 0.0 109.226 -179.923 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . 123.55 -134.14 9.23 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.493 1.121 . . . . 0.0 110.948 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -152.84 153.78 33.79 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.458 0.74 . . . . 0.0 109.951 -179.93 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 128' ' ' ILE . . . . . . . . . . . . . 5.3 pt -129.63 163.52 34.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.602 1.189 . . . . 0.0 109.317 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 129' ' ' ASN . . . . . . . . . . . . . 3.1 p30 -108.58 167.97 9.66 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.573 1.171 . . . . 0.0 109.242 -179.942 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 130' ' ' GLU . . . . . 0.522 ' HB2' ' CE2' ' A' ' 49' ' ' TRP . 16.5 tt0 -50.7 -38.19 45.63 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.572 1.17 . . . . 0.0 110.279 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -57.73 -51.86 67.84 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.505 1.128 . . . . 0.0 109.293 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -51.82 -45.44 63.93 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.507 1.129 . . . . 0.0 110.275 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 133' ' ' ALA . . . . . 0.44 ' HB1' ' CZ ' ' A' ' 55' ' ' PHE . . . -64.59 -35.79 82.13 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.597 1.186 . . . . 0.0 109.291 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 2.8 mt -71.38 -52.63 17.59 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.415 1.072 . . . . 0.0 109.319 179.933 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -53.38 -21.58 6.08 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.473 1.108 . . . . 0.0 109.333 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 136' ' ' LEU . . . . . 0.697 HD11 ' OD1' ' A' ' 143' ' ' ASP . 0.3 OUTLIER -76.65 -41.89 44.06 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.445 1.091 . . . . 0.0 109.305 -179.976 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 137' ' ' ILE . . . . . 0.54 HD13 ' O ' ' A' ' 54' ' ' LYS . 1.4 mt -81.83 -30.15 10.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 O-C-N 124.497 1.123 . . . . 0.0 109.307 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.46 -47.86 18.61 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.535 1.147 . . . . 0.0 110.276 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 139' ' ' ASP . . . . . 0.442 ' HB3' ' CB ' ' A' ' 142' ' ' ALA . 13.4 t0 -91.7 115.63 64.9 Favored Pre-proline 0 C--N 1.324 -0.525 0 O-C-N 124.54 1.15 . . . . 0.0 109.393 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -74.98 -12.97 21.58 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.555 1.819 . . . . 0.0 110.997 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 141' ' ' ASN . . . . . . . . . . . . . 71.2 m-80 -91.66 -15.62 28.22 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.405 1.065 . . . . 0.0 109.261 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 142' ' ' ALA . . . . . 0.442 ' CB ' ' HB3' ' A' ' 139' ' ' ASP . . . -84.49 62.56 7.34 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.542 1.151 . . . . 0.0 109.35 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 143' ' ' ASP . . . . . 0.697 ' OD1' HD11 ' A' ' 136' ' ' LEU . 0.6 OUTLIER 174.91 160.32 0.2 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.536 1.147 . . . . 0.0 109.315 -179.974 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 144' ' ' LEU . . . . . 0.415 HD21 ' HB2' ' A' ' 122' ' ' ARG . 0.6 OUTLIER . . . . . 0 C--N 1.324 -0.51 0 O-C-N 124.496 1.122 . . . . 0.0 109.276 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.455 ' C ' ' CG2' ' A' ' 2' ' ' VAL . 3.4 mtt . . . . . 0 N--CA 1.452 -0.345 0 CA-C-O 120.498 0.19 . . . . 0.0 111.072 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . 0.455 ' CG2' ' C ' ' A' ' 1' ' ' MET . 2.0 t -151.94 64.13 5.61 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.527 1.142 . . . . 0.0 109.293 -179.945 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . 0.413 ' HD3' ' N ' ' A' ' 2' ' ' VAL . 18.2 Cg_endo -75.0 -29.58 8.07 Favored 'Trans proline' 0 C--N 1.358 1.064 0 O-C-N 124.527 1.804 . . . . 0.0 111.019 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . 0.453 ' O ' ' CB ' ' A' ' 8' ' ' THR . 38.2 t-80 -59.28 -59.03 6.11 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.434 1.084 . . . . 0.0 109.562 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.534 ' O ' HD23 ' A' ' 9' ' ' LEU . 21.3 m -57.31 -53.18 61.07 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.465 1.103 . . . . 0.0 110.403 -179.95 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 1.053 HD11 HD13 ' A' ' 21' ' ' LEU . 2.9 tm? -56.17 -59.14 5.36 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.521 1.138 . . . . 0.0 109.313 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . 0.405 ' CB ' ' O ' ' A' ' 3' ' ' PRO . 39.3 p -57.93 -23.85 55.28 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.4 1.062 . . . . 0.0 110.027 179.943 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . 0.453 ' CB ' ' O ' ' A' ' 4' ' ' HIS . 1.7 m -79.91 -15.29 57.63 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.591 1.182 . . . . 0.0 110.346 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.645 HD11 ' CB ' ' A' ' 94' ' ' ASP . 3.3 mm? -82.88 115.35 21.72 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.391 1.057 . . . . 0.0 109.206 -179.903 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 3.7 mmmt -101.14 149.89 23.51 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.564 1.165 . . . . 0.0 109.329 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . 0.472 ' HG1' ' HB2' ' A' ' 15' ' ' ARG . 33.4 p -80.85 172.53 13.63 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.541 1.151 . . . . 0.0 110.412 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -70.73 -6.61 38.72 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.467 1.104 . . . . 0.0 109.276 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -99.56 16.55 22.98 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.479 1.112 . . . . 0.0 109.311 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER 56.76 40.74 28.93 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.494 1.121 . . . . 0.0 109.284 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . 0.472 ' HB2' ' HG1' ' A' ' 11' ' ' THR . 12.2 mmt180 -120.23 151.9 53.93 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.485 1.116 . . . . 0.0 110.301 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . 0.509 ' HG2' HG23 ' A' ' 19' ' ' VAL . 18.3 Cg_endo -75.07 121.7 6.71 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.473 1.776 . . . . 0.0 110.95 -179.942 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.42 ' HB2' ' O ' ' A' ' 9' ' ' LEU . . . -53.44 -27.94 27.46 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.509 1.13 . . . . 0.0 109.276 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -55.43 -18.76 7.55 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.551 1.157 . . . . 0.0 110.015 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.509 HG23 ' HG2' ' A' ' 16' ' ' PRO . 40.8 t -69.6 -25.01 27.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.533 1.145 . . . . 0.0 109.183 -179.903 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 9.9 m-85 -109.9 23.71 14.01 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.492 1.12 . . . . 0.0 110.919 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 1.053 HD13 HD11 ' A' ' 6' ' ' LEU . 0.2 OUTLIER -142.78 119.78 11.35 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.517 1.136 . . . . 0.0 109.339 179.948 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . 0.495 ' CG ' ' O ' ' A' ' 21' ' ' LEU . 0.0 OUTLIER 163.95 -172.42 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.402 1.064 . . . . 0.0 109.355 -179.945 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.406 ' O ' ' C ' ' A' ' 24' ' ' ASP . 0.0 OUTLIER 65.63 27.26 11.45 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.545 1.153 . . . . 0.0 109.297 -179.985 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . 0.406 ' C ' ' O ' ' A' ' 23' ' ' LYS . 23.7 m-20 40.16 39.23 0.61 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.431 1.082 . . . . 0.0 109.293 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.415 ' CE ' ' O ' ' A' ' 57' ' ' SER . 6.4 mttp -103.57 162.25 20.58 Favored Pre-proline 0 C--N 1.323 -0.555 0 O-C-N 124.539 1.149 . . . . 0.0 109.343 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.7 Cg_endo -74.97 146.58 32.94 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.464 1.771 . . . . 0.0 111.057 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . 0.621 HG23 ' HB2' ' A' ' 59' ' ' ASN . 3.4 m -120.97 133.26 55.27 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.564 1.165 . . . . 0.0 110.434 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.747 HD21 ' CE3' ' A' ' 111' ' ' TRP . 8.6 tt -110.98 142.92 42.47 Favored 'General case' 0 C--N 1.323 -0.565 0 O-C-N 124.455 1.097 . . . . 0.0 109.337 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.514 ' HB ' ' HB3' ' A' ' 112' ' ' ALA . 4.0 mm -118.39 147.44 21.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.504 1.127 . . . . 0.0 109.27 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.524 ' HG3' ' CD2' ' A' ' 111' ' ' TRP . 0.0 OUTLIER -138.87 113.35 8.93 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.5 1.125 . . . . 0.0 109.365 -179.971 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . 0.564 ' HB3' ' CE1' ' A' ' 108' ' ' TYR . 35.7 m-85 -90.18 126.44 35.81 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.444 1.09 . . . . 0.0 110.956 -179.933 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' TRP . . . . . 0.857 ' CZ3' HD11 ' A' ' 43' ' ' LEU . 5.7 p-90 -132.42 166.6 21.63 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.577 1.173 . . . . 0.0 108.022 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -133.73 156.02 48.7 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.421 1.076 . . . . 0.0 109.302 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . 0.55 ' OG ' ' CH2' ' A' ' 80' ' ' TRP . 6.3 t -78.68 -24.79 44.87 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.5 1.125 . . . . 0.0 110.027 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 20.1 p-90 -81.31 -6.86 59.35 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.474 1.109 . . . . 0.0 108.016 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 48.3 t -97.45 110.6 55.42 Favored Pre-proline 0 C--N 1.326 -0.428 0 O-C-N 124.458 1.099 . . . . 0.0 108.307 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.09 -37.46 1.98 Allowed 'Trans proline' 0 C--N 1.359 1.094 0 O-C-N 124.534 1.808 . . . . 0.0 110.996 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.492 HD23 ' O ' ' A' ' 38' ' ' LEU . 1.7 tt -62.41 -27.99 69.47 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 0.0 109.267 179.926 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 19.5 m -78.44 -50.13 12.22 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.527 1.142 . . . . 0.0 108.293 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.622 ' HA ' HD12 ' A' ' 43' ' ' LEU . 13.2 mt -51.81 -46.89 64.45 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.471 1.107 . . . . 0.0 109.189 -179.895 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 10.5 p -69.34 -25.4 64.18 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.595 1.184 . . . . 0.0 109.974 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -80.8 -24.96 38.17 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.434 1.084 . . . . 0.0 110.302 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.857 HD11 ' CZ3' ' A' ' 32' ' ' TRP . 78.7 mt -49.2 -52.79 24.67 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.555 1.159 . . . . 0.0 109.28 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -52.6 -49.22 53.73 Favored Glycine 0 CA--C 1.529 0.915 0 O-C-N 124.53 1.143 . . . . 0.0 111.007 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . 0.492 ' HG2' ' CZ2' ' A' ' 49' ' ' TRP . 1.2 tt0 -63.84 -36.42 83.86 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.429 0.723 . . . . 0.0 110.258 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 8.3 m -67.72 -30.18 69.61 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.415 1.072 . . . . 0.0 110.397 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . 0.401 ' OE2' ' C ' ' A' ' 88' ' ' LYS . 22.2 tt0 -67.42 -36.93 82.23 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.377 1.048 . . . . 0.0 110.216 -179.897 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 3.6 tttt -78.51 -30.15 47.01 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.496 1.123 . . . . 0.0 109.227 -179.913 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' TRP . . . . . 0.492 ' CZ2' ' HG2' ' A' ' 45' ' ' GLN . 46.6 m0 -77.47 -30.16 53.04 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.494 1.121 . . . . 0.0 108.03 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -76.59 -15.86 59.73 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.571 1.169 . . . . 0.0 109.273 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -112.53 5.72 18.1 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.553 1.158 . . . . 0.0 110.286 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . 0.408 ' O ' ' N ' ' A' ' 56' ' ' SER . 1.4 t0 -75.09 129.12 37.04 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.526 1.141 . . . . 0.0 109.274 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -51.3 -50.71 58.82 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.582 1.176 . . . . 0.0 109.291 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -49.73 -43.41 47.79 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.507 1.129 . . . . 0.0 109.343 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . 0.745 ' CZ ' ' HB1' ' A' ' 133' ' ' ALA . 0.1 OUTLIER -77.0 -27.84 54.81 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.515 1.135 . . . . 0.0 111.006 179.981 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . 0.408 ' N ' ' O ' ' A' ' 52' ' ' ASP . 9.5 t -46.43 -36.94 7.04 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.374 1.047 . . . . 0.0 110.006 179.928 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . 0.415 ' O ' ' CE ' ' A' ' 25' ' ' LYS . 12.5 t -39.04 -54.4 1.7 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.476 1.11 . . . . 0.0 110.055 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -108.71 165.26 11.68 Favored 'General case' 0 N--CA 1.451 -0.422 0 O-C-N 124.352 1.032 . . . . 0.0 109.329 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . 0.621 ' HB2' HG23 ' A' ' 27' ' ' THR . 18.6 m-20 -89.42 122.7 32.87 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.426 1.079 . . . . 0.0 109.39 179.93 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.745 ' C ' HD23 ' A' ' 60' ' ' LEU . 2.8 tt -113.05 133.15 55.11 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.436 1.085 . . . . 0.0 109.301 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.895 HD12 HG21 ' A' ' 92' ' ' VAL . 15.0 pt -151.51 160.66 3.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.526 1.141 . . . . 0.0 109.349 179.943 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . 0.453 ' O ' ' N ' ' A' ' 92' ' ' VAL . 47.3 p -112.75 147.83 36.03 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.505 1.128 . . . . 0.0 110.374 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 2.2 t -118.17 144.25 26.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.451 1.094 . . . . 0.0 109.337 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . 0.488 ' HB3' HG22 ' A' ' 93' ' ' THR . . . -134.38 142.36 47.16 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.402 1.064 . . . . 0.0 109.393 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . 0.466 ' CB ' ' HB3' ' A' ' 68' ' ' PHE . 19.9 m -119.36 108.62 39.65 Favored Pre-proline 0 C--N 1.324 -0.518 0 O-C-N 124.47 1.106 . . . . 0.0 109.961 -179.939 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . 0.457 ' HA ' ' O ' ' A' ' 72' ' ' LYS . 18.4 Cg_endo -75.04 137.12 21.2 Favored 'Trans proline' 0 C--N 1.359 1.111 0 O-C-N 124.559 1.82 . . . . 0.0 110.955 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 68.19 8.53 54.88 Favored Glycine 0 CA--C 1.532 1.127 0 O-C-N 124.489 1.118 . . . . 0.0 110.952 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . 0.466 ' HB3' ' CB ' ' A' ' 65' ' ' SER . 52.3 t80 -118.95 132.13 56.06 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.572 0.807 . . . . 0.0 111.017 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.428 HD23 ' CE2' ' A' ' 68' ' ' PHE . 0.6 OUTLIER 69.99 41.98 1.06 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.508 1.13 . . . . 0.0 109.234 179.957 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 51.2 m80 62.35 19.6 11.2 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.435 1.084 . . . . 0.0 109.538 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 29.3 tp10 -82.89 161.35 21.91 Favored 'General case' 0 C--N 1.323 -0.545 0 O-C-N 124.558 1.162 . . . . 0.0 110.32 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . 0.457 ' O ' ' HA ' ' A' ' 66' ' ' PRO . 0.0 OUTLIER -61.9 140.56 58.29 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.542 1.151 . . . . 0.0 109.249 -179.967 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 44.7 tttt -64.78 160.79 19.41 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.54 1.15 . . . . 0.0 109.281 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . 0.421 ' N ' ' HB2' ' A' ' 66' ' ' PRO . 0.0 OUTLIER -59.85 146.03 43.47 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.507 1.129 . . . . 0.0 109.229 -179.987 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 87.79 -36.12 3.41 Favored Glycine 0 CA--C 1.529 0.917 0 O-C-N 124.533 1.146 . . . . 0.0 111.014 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -76.23 -58.45 3.28 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.462 0.742 . . . . 0.0 109.281 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 8.7 t80 -57.31 -30.23 64.58 Favored 'General case' 0 C--N 1.323 -0.558 0 O-C-N 124.434 1.084 . . . . 0.0 110.952 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 9.2 mt-30 -74.1 -29.93 62.09 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.495 1.122 . . . . 0.0 110.324 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.04 -30.3 39.4 Favored 'General case' 0 C--N 1.323 -0.549 0 O-C-N 124.432 1.082 . . . . 0.0 109.294 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' TRP . . . . . 0.587 ' HH2' HD21 ' A' ' 40' ' ' LEU . 15.2 t90 -70.34 -46.85 63.33 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.54 1.15 . . . . 0.0 108.054 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' TYR . . . . . 0.62 ' OH ' HG21 ' A' ' 91' ' ' VAL . 0.4 OUTLIER -63.74 -29.89 71.05 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.427 1.08 . . . . 0.0 110.933 179.956 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -59.4 -17.37 29.83 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.402 1.064 . . . . 0.0 109.252 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -103.64 -4.14 46.2 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.418 1.074 . . . . 0.0 111.012 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.408 ' O ' ' HA ' ' A' ' 81' ' ' TYR . 2.2 pp -174.52 121.78 0.26 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.545 0.791 . . . . 0.0 109.253 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' ASN . . . . . 0.558 ' HB3' ' CD2' ' A' ' 81' ' ' TYR . 0.3 OUTLIER -170.07 166.93 9.04 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.551 1.157 . . . . 0.0 109.316 179.98 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' TYR . . . . . 0.684 ' HB2' HD23 ' A' ' 89' ' ' LEU . 97.7 m-85 -111.78 111.25 54.22 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.488 1.118 . . . . 0.0 110.979 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 -2.25 12.29 Favored 'Trans proline' 0 C--N 1.361 1.206 0 O-C-N 124.5 1.789 . . . . 0.0 111.05 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . 0.401 ' C ' ' OE2' ' A' ' 47' ' ' GLU . 0.8 OUTLIER -113.54 19.68 16.64 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.503 1.127 . . . . 0.0 109.253 179.945 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 0.913 HD12 ' HD2' ' A' ' 90' ' ' PRO . 0.1 OUTLIER -136.97 136.01 20.62 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.421 1.076 . . . . 0.0 109.338 179.969 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' PRO . . . . . 0.913 ' HD2' HD12 ' A' ' 89' ' ' LEU . 18.2 Cg_endo -75.05 126.15 9.75 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.605 1.845 . . . . 0.0 111.003 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . 0.62 HG21 ' OH ' ' A' ' 81' ' ' TYR . 38.3 t -135.04 120.73 30.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.489 1.118 . . . . 0.0 109.307 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . 0.895 HG21 HD12 ' A' ' 61' ' ' ILE . 11.6 t -117.64 137.08 52.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.518 1.137 . . . . 0.0 109.327 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . 0.488 HG22 ' HB3' ' A' ' 64' ' ' ALA . 10.9 p -121.11 121.76 38.56 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.483 1.114 . . . . 0.0 110.434 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . 0.645 ' CB ' HD11 ' A' ' 9' ' ' LEU . 61.8 t0 -114.92 111.18 20.76 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.438 1.086 . . . . 0.0 109.343 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 14.0 t-20 -60.79 111.93 1.83 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.507 1.129 . . . . 0.0 109.307 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . 0.415 ' O ' ' NE2' ' A' ' 101' ' ' GLN . . . 88.82 -23.61 16.28 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.4 1.063 . . . . 0.0 111.042 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 70.32 73.66 0.75 Allowed Glycine 0 CA--C 1.53 1.013 0 N-CA-C 110.966 -0.854 . . . . 0.0 110.966 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 5.2 m -63.5 -48.44 77.61 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.518 0.775 . . . . 0.0 110.44 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 3.9 mt -68.79 -38.91 79.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.497 1.123 . . . . 0.0 109.276 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . 0.413 ' O ' ' N ' ' A' ' 105' ' ' ILE . . . -61.92 -47.88 82.95 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.495 1.122 . . . . 0.0 109.284 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 101' ' ' GLN . . . . . 0.415 ' NE2' ' O ' ' A' ' 96' ' ' GLY . 65.7 mt-30 -74.46 -31.52 62.28 Favored 'General case' 0 C--N 1.323 -0.552 0 O-C-N 124.53 1.143 . . . . 0.0 110.328 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 42.4 t -66.74 -29.19 69.1 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.501 1.125 . . . . 0.0 109.998 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . 0.574 HD11 HG21 ' A' ' 120' ' ' VAL . 23.6 mt -108.66 8.77 27.14 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.493 1.12 . . . . 0.0 109.338 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 14.6 t-20 50.27 68.31 0.78 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.522 1.139 . . . . 0.0 109.254 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 105' ' ' ILE . . . . . 0.461 ' CD1' ' CZ ' ' A' ' 31' ' ' PHE . 37.7 mt -111.24 100.03 9.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.513 1.133 . . . . 0.0 109.238 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 25.2 p -125.85 34.06 4.96 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.507 1.13 . . . . 0.0 110.031 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 1.5 p -145.3 132.22 15.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.524 1.14 . . . . 0.0 109.317 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 108' ' ' TYR . . . . . 0.564 ' CE1' ' HB3' ' A' ' 31' ' ' PHE . 22.9 m-85 -131.1 152.55 80.85 Favored Pre-proline 0 C--N 1.324 -0.515 0 O-C-N 124.504 1.128 . . . . 0.0 111.033 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 109' ' ' PRO . . . . . 0.524 ' C ' ' HA ' ' A' ' 108' ' ' TYR . 18.1 Cg_endo -75.0 160.37 96.65 Favored 'Cis proline' 0 C--N 1.359 1.126 0 C-N-CA 120.942 -2.524 . . . . 0.0 110.964 0.002 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -134.67 155.79 49.9 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.56 1.163 . . . . 0.0 109.975 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 111' ' ' TRP . . . . . 0.747 ' CE3' HD21 ' A' ' 28' ' ' LEU . 39.1 m95 -134.27 138.75 45.24 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 107.962 -1.125 . . . . 0.0 107.962 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 112' ' ' ALA . . . . . 0.514 ' HB3' ' HB ' ' A' ' 29' ' ' ILE . . . -133.06 137.55 46.45 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.552 1.157 . . . . 0.0 109.324 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 113' ' ' LEU . . . . . 0.577 ' C ' HD12 ' A' ' 114' ' ' ILE . 27.2 tp -109.49 122.83 48.28 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.436 1.085 . . . . 0.0 109.285 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 114' ' ' ILE . . . . . 0.577 HD12 ' C ' ' A' ' 113' ' ' LEU . 1.1 mp -107.78 123.43 63.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.514 1.134 . . . . 0.0 109.277 -179.936 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 115' ' ' GLY . . . . . 0.406 ' N ' ' HB2' ' A' ' 121' ' ' GLN . . . -47.41 171.6 0.04 OUTLIER Glycine 0 CA--C 1.529 0.93 0 O-C-N 124.577 1.173 . . . . 0.0 111.078 179.897 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.64 -15.3 63.17 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.452 0.736 . . . . 0.0 109.293 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -82.26 -19.89 38.67 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.513 1.133 . . . . 0.0 109.272 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 118' ' ' GLY . . . . . 0.42 ' HA2' ' CG2' ' A' ' 114' ' ' ILE . . . 98.76 23.75 11.58 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.463 1.102 . . . . 0.0 110.926 179.945 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 1.2 p-10 -115.99 153.19 32.09 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.435 0.726 . . . . 0.0 109.252 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 120' ' ' VAL . . . . . 0.574 HG21 HD11 ' A' ' 103' ' ' LEU . 75.6 t -56.26 114.6 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.445 1.091 . . . . 0.0 109.304 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 121' ' ' GLN . . . . . 0.406 ' HB2' ' N ' ' A' ' 115' ' ' GLY . 15.0 tt0 -94.81 -52.7 4.15 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.544 1.153 . . . . 0.0 110.239 -179.927 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -152.39 141.09 20.91 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.497 1.123 . . . . 0.0 110.232 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 123' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -105.26 139.84 25.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.542 1.151 . . . . 0.0 109.328 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 71.4 t -125.49 135.31 64.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 O-C-N 124.507 1.13 . . . . 0.0 109.199 -179.928 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -116.74 128.05 54.96 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.618 1.199 . . . . 0.0 109.311 179.894 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . 105.13 155.23 22.51 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.576 1.173 . . . . 0.0 110.991 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 127' ' ' SER . . . . . 0.46 ' CB ' ' HG2' ' A' ' 109' ' ' PRO . 0.2 OUTLIER -68.7 159.2 32.63 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.493 0.761 . . . . 0.0 110.025 179.976 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 128' ' ' ILE . . . . . 0.792 HG22 ' NE2' ' A' ' 132' ' ' GLN . 10.7 pt -135.2 168.07 24.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.538 1.149 . . . . 0.0 109.279 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 129' ' ' ASN . . . . . . . . . . . . . 2.0 p30 -106.4 167.32 9.92 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.562 1.163 . . . . 0.0 109.346 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 16.2 tt0 -52.32 -37.29 55.46 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.425 1.078 . . . . 0.0 110.236 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -62.29 -49.93 73.72 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.518 1.136 . . . . 0.0 109.413 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 132' ' ' GLN . . . . . 0.792 ' NE2' HG22 ' A' ' 128' ' ' ILE . 18.5 mt-30 -51.45 -42.48 61.6 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.504 1.127 . . . . 0.0 110.286 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 133' ' ' ALA . . . . . 0.832 ' O ' HD12 ' A' ' 137' ' ' ILE . . . -56.17 -39.76 72.86 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.497 1.123 . . . . 0.0 109.31 179.917 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 12.4 mt -67.87 -51.91 42.69 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.448 1.093 . . . . 0.0 109.284 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -62.6 -24.85 67.78 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.43 1.081 . . . . 0.0 109.331 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 136' ' ' LEU . . . . . 0.46 HD21 HD12 ' A' ' 28' ' ' LEU . 12.4 tp -73.97 -44.07 56.03 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.455 1.097 . . . . 0.0 109.264 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 137' ' ' ILE . . . . . 0.832 HD12 ' O ' ' A' ' 133' ' ' ALA . 4.7 mt -75.03 -18.43 16.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 O-C-N 124.481 1.113 . . . . 0.0 109.381 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -84.8 -47.55 10.27 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.548 1.155 . . . . 0.0 110.264 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 7.9 t0 -163.83 125.01 1.47 Allowed Pre-proline 0 C--N 1.326 -0.43 0 O-C-N 124.432 1.083 . . . . 0.0 109.283 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.08 -14.45 20.96 Favored 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.471 1.774 . . . . 0.0 110.964 -179.94 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 141' ' ' ASN . . . . . . . . . . . . . 42.5 m-80 -76.3 -25.04 54.43 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.516 1.135 . . . . 0.0 109.396 179.878 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -47.47 148.84 1.26 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.584 1.178 . . . . 0.0 109.218 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 143' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -48.5 142.94 5.34 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.512 1.132 . . . . 0.0 109.293 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 144' ' ' LEU . . . . . 0.663 ' N ' HD13 ' A' ' 144' ' ' LEU . 0.1 OUTLIER . . . . . 0 C--N 1.324 -0.503 0 O-C-N 124.506 1.129 . . . . 0.0 109.35 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.653 ' O ' HG13 ' A' ' 2' ' ' VAL . 0.8 OUTLIER . . . . . 0 N--CA 1.452 -0.361 0 CA-C-O 120.579 0.228 . . . . 0.0 111.008 . . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . 0.653 HG13 ' O ' ' A' ' 1' ' ' MET . 0.1 OUTLIER -160.99 62.37 1.58 Allowed Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.51 1.131 . . . . 0.0 109.288 179.998 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . 0.45 ' HD3' ' N ' ' A' ' 2' ' ' VAL . 18.2 Cg_endo -74.99 -70.11 0.02 OUTLIER 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.554 1.818 . . . . 0.0 111.026 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 84.3 m-70 -49.84 -28.2 6.11 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.447 1.092 . . . . 0.0 109.569 -179.93 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 31.7 m -67.08 -56.13 11.36 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.576 1.172 . . . . 0.0 110.406 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.743 HD13 HD13 ' A' ' 21' ' ' LEU . 4.0 pp -71.8 -32.72 67.9 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.546 1.154 . . . . 0.0 109.273 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 62.2 m -72.4 -22.62 61.09 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.553 1.158 . . . . 0.0 110.069 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -71.55 -18.32 62.26 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.508 1.13 . . . . 0.0 110.458 179.908 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.967 HD11 ' CD1' ' A' ' 99' ' ' ILE . 62.5 mt -78.72 153.65 30.7 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.505 1.128 . . . . 0.0 109.228 -179.939 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.408 ' HA ' ' O ' ' A' ' 15' ' ' ARG . 59.9 mttt -142.09 154.65 45.08 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.519 1.137 . . . . 0.0 109.342 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 41.5 p -91.9 175.16 6.98 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.476 1.11 . . . . 0.0 110.462 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -70.98 -7.54 46.89 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.551 1.157 . . . . 0.0 109.292 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -104.06 24.83 10.78 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.489 1.118 . . . . 0.0 109.326 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER 47.44 57.27 6.01 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.472 1.107 . . . . 0.0 109.259 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . 0.408 ' O ' ' HA ' ' A' ' 10' ' ' LYS . 0.6 OUTLIER -133.34 153.41 80.54 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.458 1.099 . . . . 0.0 110.309 179.97 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 126.93 10.31 Favored 'Trans proline' 0 C--N 1.361 1.184 0 O-C-N 124.52 1.8 . . . . 0.0 110.97 -179.894 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -58.9 -29.02 66.74 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.453 1.095 . . . . 0.0 109.279 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 23.3 t -50.56 -22.33 1.93 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.521 1.138 . . . . 0.0 109.954 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 6.2 t -61.82 -26.41 39.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.563 1.164 . . . . 0.0 109.316 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 15.1 m-85 -105.86 21.57 17.07 Favored 'General case' 0 C--N 1.327 -0.409 0 O-C-N 124.481 1.113 . . . . 0.0 110.961 -179.936 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.743 HD13 HD13 ' A' ' 6' ' ' LEU . 0.6 OUTLIER -137.49 101.43 4.5 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.508 1.13 . . . . 0.0 109.315 -179.987 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 174.18 -165.19 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.567 1.167 . . . . 0.0 109.294 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.41 ' O ' ' C ' ' A' ' 24' ' ' ASP . 0.0 OUTLIER 61.04 23.19 13.39 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.445 1.091 . . . . 0.0 109.288 179.945 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . 0.41 ' C ' ' O ' ' A' ' 23' ' ' LYS . 5.4 m-20 39.57 38.84 0.44 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.508 1.13 . . . . 0.0 109.293 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -109.35 161.08 25.29 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.434 1.084 . . . . 0.0 109.265 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.98 146.31 32.59 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.45 1.763 . . . . 0.0 110.971 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 98.3 m -118.15 142.24 47.65 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.4 1.062 . . . . 0.0 110.426 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.558 HD13 HD13 ' A' ' 113' ' ' LEU . 13.7 tp -123.71 124.13 42.06 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.529 1.143 . . . . 0.0 109.328 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.409 ' O ' ' HA ' ' A' ' 111' ' ' TRP . 3.0 mt -109.67 148.01 13.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.566 1.166 . . . . 0.0 109.263 -179.936 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.572 ' HB2' ' CE3' ' A' ' 111' ' ' TRP . 0.9 OUTLIER -139.09 113.91 9.26 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.564 1.165 . . . . 0.0 109.302 179.972 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . 0.604 ' CE1' ' CD1' ' A' ' 105' ' ' ILE . 47.5 m-85 -83.38 142.04 31.31 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.524 1.14 . . . . 0.0 111.007 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' TRP . . . . . 0.644 ' CH2' HD23 ' A' ' 43' ' ' LEU . 0.4 OUTLIER -162.34 150.6 14.58 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 107.991 -1.114 . . . . 0.0 107.991 179.965 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . 0.582 ' HB1' ' OE2' ' A' ' 71' ' ' GLU . . . -105.99 156.67 18.16 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.442 1.089 . . . . 0.0 109.279 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . 0.569 ' HB3' ' CZ3' ' A' ' 80' ' ' TRP . 0.6 OUTLIER -76.07 -32.6 59.35 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.544 1.153 . . . . 0.0 110.032 179.985 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 33.8 p-90 -69.32 -13.61 62.47 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.556 1.16 . . . . 0.0 107.972 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 49.2 t -82.14 120.8 78.05 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.536 1.147 . . . . 0.0 108.255 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.95 -53.99 0.09 OUTLIER 'Trans proline' 0 C--N 1.361 1.205 0 O-C-N 124.553 1.818 . . . . 0.0 111.06 179.909 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 5.4 tt -47.93 -32.81 6.82 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.49 1.119 . . . . 0.0 109.354 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 97.5 m -78.76 -43.29 25.92 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.526 1.141 . . . . 0.0 108.265 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.503 HD23 HD11 ' A' ' 43' ' ' LEU . 17.2 mt -52.16 -56.12 16.61 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.48 1.112 . . . . 0.0 109.353 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 24.5 p -57.81 -24.1 55.73 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.566 1.166 . . . . 0.0 109.983 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -76.52 -13.09 60.11 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.452 1.095 . . . . 0.0 110.312 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.644 HD23 ' CH2' ' A' ' 32' ' ' TRP . 24.1 mt -46.39 -49.0 18.55 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.549 1.156 . . . . 0.0 109.227 -179.934 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -77.44 -42.7 17.53 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.512 1.133 . . . . 0.0 110.948 -179.919 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 13.4 tt0 -56.82 -35.92 69.34 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.506 0.768 . . . . 0.0 110.298 -179.931 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 89.6 m -74.01 -40.73 62.72 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.479 1.112 . . . . 0.0 110.437 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . 0.426 ' CG ' ' HB2' ' A' ' 89' ' ' LEU . 0.0 OUTLIER -55.22 -38.1 68.01 Favored 'General case' 0 C--N 1.327 -0.398 0 O-C-N 124.479 1.112 . . . . 0.0 110.301 179.948 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.409 ' HG3' ' N ' ' A' ' 49' ' ' TRP . 10.9 ptmt -78.27 -38.23 43.21 Favored 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.605 1.191 . . . . 0.0 109.315 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' TRP . . . . . 0.461 ' O ' ' CD2' ' A' ' 55' ' ' PHE . 34.5 m0 -64.55 -33.98 77.17 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.461 1.101 . . . . 0.0 108.042 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -79.37 -8.79 59.35 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.534 1.146 . . . . 0.0 109.334 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 1.3 mm-40 -102.54 -10.13 19.58 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.441 1.088 . . . . 0.0 110.267 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.6 t0 -65.01 132.05 48.22 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.5 1.125 . . . . 0.0 109.284 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -59.25 -50.92 72.15 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.445 1.091 . . . . 0.0 109.286 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . 0.702 ' HG2' HD22 ' A' ' 134' ' ' LEU . 0.0 OUTLIER -48.5 -36.79 15.92 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.453 1.095 . . . . 0.0 109.234 -179.979 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . 0.81 ' CE1' HD12 ' A' ' 60' ' ' LEU . 0.2 OUTLIER -77.02 -30.49 55.84 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.488 1.118 . . . . 0.0 110.994 179.994 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . 0.402 ' O ' ' C ' ' A' ' 57' ' ' SER . 1.4 t -46.04 -42.61 13.59 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.615 1.197 . . . . 0.0 110.047 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . 0.402 ' C ' ' O ' ' A' ' 56' ' ' SER . 1.3 t -38.45 -58.42 1.02 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.423 1.077 . . . . 0.0 110.046 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . 0.427 ' O ' ' O ' ' A' ' 55' ' ' PHE . . . -103.3 166.53 10.37 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.39 1.056 . . . . 0.0 109.229 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 86.2 m-20 -88.8 136.35 33.05 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.439 1.087 . . . . 0.0 109.306 179.93 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.81 HD12 ' CE1' ' A' ' 55' ' ' PHE . 4.2 tt -124.54 126.37 45.72 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.504 1.128 . . . . 0.0 109.305 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.728 ' N ' HD23 ' A' ' 60' ' ' LEU . 12.1 pt -152.38 160.3 3.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.533 1.146 . . . . 0.0 109.293 179.943 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . 0.421 ' HA ' ' O ' ' A' ' 30' ' ' LYS . 28.1 p -109.74 158.08 18.48 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.472 1.108 . . . . 0.0 110.389 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 3.6 t -122.87 142.28 40.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 O-C-N 124.5 1.125 . . . . 0.0 109.276 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . 0.45 ' N ' ' O ' ' A' ' 92' ' ' VAL . . . -134.66 125.52 27.28 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.578 1.174 . . . . 0.0 109.248 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . 0.468 ' CB ' ' HB3' ' A' ' 68' ' ' PHE . 8.3 m -101.75 107.66 52.77 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.542 1.151 . . . . 0.0 110.013 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . 0.437 ' HA ' ' O ' ' A' ' 72' ' ' LYS . 18.3 Cg_endo -75.01 135.53 19.18 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.529 1.805 . . . . 0.0 110.955 -179.944 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 67.46 12.45 61.32 Favored Glycine 0 CA--C 1.531 1.078 0 O-C-N 124.5 1.125 . . . . 0.0 111.065 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . 0.613 ' CE2' HD23 ' A' ' 69' ' ' LEU . 72.4 t80 -125.23 137.79 54.11 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.59 0.818 . . . . 0.0 110.998 179.939 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.613 HD23 ' CE2' ' A' ' 68' ' ' PHE . 0.3 OUTLIER 63.45 48.6 3.43 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.455 1.097 . . . . 0.0 109.318 179.958 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 65.4 m170 51.09 33.79 9.83 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.575 1.172 . . . . 0.0 109.57 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . 0.582 ' OE2' ' HB1' ' A' ' 33' ' ' ALA . 21.5 tp10 -97.74 156.36 16.6 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.558 1.161 . . . . 0.0 110.309 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . 0.437 ' O ' ' HA ' ' A' ' 66' ' ' PRO . 0.2 OUTLIER -60.69 138.97 58.02 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.494 1.121 . . . . 0.0 109.319 -179.967 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 10.7 mttt -62.35 165.64 5.82 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.425 1.078 . . . . 0.0 109.383 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . 0.412 ' N ' ' HB2' ' A' ' 66' ' ' PRO . 0.6 OUTLIER -63.29 151.81 39.58 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.441 1.088 . . . . 0.0 109.368 179.997 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 83.9 -52.62 4.75 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.56 1.163 . . . . 0.0 111.045 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -73.82 -29.94 62.43 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.364 0.684 . . . . 0.0 109.193 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' PHE . . . . . 0.534 ' CE2' ' CE1' ' A' ' 81' ' ' TYR . 10.4 t80 -77.63 -57.13 3.98 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.459 1.099 . . . . 0.0 110.988 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' GLN . . . . . 0.536 ' O ' ' HB2' ' A' ' 82' ' ' ALA . 15.4 pt20 -51.95 -28.17 15.67 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.56 1.163 . . . . 0.0 110.299 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -71.61 -48.34 48.69 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.519 1.137 . . . . 0.0 109.328 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' TRP . . . . . 0.569 ' CZ3' ' HB3' ' A' ' 34' ' ' SER . 5.4 t90 -59.98 -53.82 53.34 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.472 1.107 . . . . 0.0 108.045 179.909 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' TYR . . . . . 0.534 ' CE1' ' CE2' ' A' ' 77' ' ' PHE . 0.6 OUTLIER -60.63 -28.8 68.82 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.467 1.104 . . . . 0.0 110.988 -179.996 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . 0.536 ' HB2' ' O ' ' A' ' 78' ' ' GLN . . . -72.69 -18.64 61.52 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.494 1.121 . . . . 0.0 109.298 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -90.8 -17.96 49.67 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.554 1.159 . . . . 0.0 111.007 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.527 HD21 ' HE1' ' A' ' 80' ' ' TRP . 76.8 mt -69.85 164.4 23.78 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.531 0.783 . . . . 0.0 109.262 -179.894 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 17.1 m-20 -86.03 -176.28 5.9 Favored 'General case' 0 C--N 1.323 -0.549 0 O-C-N 124.586 1.179 . . . . 0.0 109.295 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' TYR . . . . . 0.427 ' N ' ' HD3' ' A' ' 87' ' ' PRO . 36.7 m-85 52.69 62.37 10.25 Favored Pre-proline 0 C--N 1.323 -0.549 0 O-C-N 124.523 1.139 . . . . 0.0 110.941 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' PRO . . . . . 0.427 ' HD3' ' N ' ' A' ' 86' ' ' TYR . 18.2 Cg_endo -74.97 1.36 7.82 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.515 1.797 . . . . 0.0 110.999 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -89.15 8.8 28.17 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.486 1.117 . . . . 0.0 109.243 -179.944 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 0.63 HD12 ' HD2' ' A' ' 90' ' ' PRO . 0.2 OUTLIER -95.63 140.54 22.38 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.504 1.128 . . . . 0.0 109.326 179.952 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' PRO . . . . . 0.63 ' HD2' HD12 ' A' ' 89' ' ' LEU . 18.4 Cg_endo -74.95 127.33 10.63 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.528 1.804 . . . . 0.0 110.976 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 54.9 t -138.54 120.05 16.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.543 1.152 . . . . 0.0 109.195 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . 0.522 HG21 HD12 ' A' ' 61' ' ' ILE . 39.8 t -114.47 130.81 68.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.413 1.071 . . . . 0.0 109.219 -179.922 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 2.4 p -112.9 116.76 30.51 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.505 1.128 . . . . 0.0 110.399 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 63.4 t0 -114.85 111.25 20.91 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.582 1.176 . . . . 0.0 109.317 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -58.87 115.11 2.89 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.515 1.135 . . . . 0.0 109.321 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 85.15 -14.74 48.16 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.505 1.128 . . . . 0.0 110.994 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 59.93 67.4 2.18 Favored Glycine 0 CA--C 1.531 1.053 0 N-CA-C 110.961 -0.855 . . . . 0.0 110.961 -179.934 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 98' ' ' THR . . . . . 0.422 ' O ' ' N ' ' A' ' 102' ' ' SER . 1.3 m -53.59 -43.17 68.37 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.5 0.765 . . . . 0.0 110.394 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 99' ' ' ILE . . . . . 0.967 ' CD1' HD11 ' A' ' 9' ' ' LEU . 3.5 mt -70.14 -44.73 77.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.524 1.14 . . . . 0.0 109.311 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . 0.59 ' HA ' HD12 ' A' ' 105' ' ' ILE . . . -57.72 -41.02 80.94 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.645 1.216 . . . . 0.0 109.269 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 2.7 mt-30 -80.34 -37.86 31.68 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.525 1.14 . . . . 0.0 110.244 -179.946 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . 0.422 ' N ' ' O ' ' A' ' 98' ' ' THR . 47.2 t -61.17 -40.24 93.12 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.496 1.123 . . . . 0.0 109.954 -179.917 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . 0.761 HD13 HD12 ' A' ' 123' ' ' ILE . 64.9 mt -85.08 -15.98 42.15 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.398 1.061 . . . . 0.0 109.314 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 46.4 t30 67.67 52.63 0.74 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.495 1.122 . . . . 0.0 109.25 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 105' ' ' ILE . . . . . 0.604 ' CD1' ' CE1' ' A' ' 31' ' ' PHE . 84.9 mt -78.22 -100.63 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.437 1.086 . . . . 0.0 109.297 179.928 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . 0.525 ' N ' HG22 ' A' ' 105' ' ' ILE . 3.2 p 82.54 -6.64 1.32 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.459 1.099 . . . . 0.0 110.083 -179.915 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 107' ' ' VAL . . . . . 0.57 ' H ' HG22 ' A' ' 105' ' ' ILE . 2.2 p -119.98 131.82 71.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.52 1.138 . . . . 0.0 109.24 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 108' ' ' TYR . . . . . 0.583 ' CE1' ' HB3' ' A' ' 31' ' ' PHE . 22.4 m-85 -131.54 153.74 81.65 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.552 1.157 . . . . 0.0 110.947 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 109' ' ' PRO . . . . . 0.527 ' C ' ' HA ' ' A' ' 108' ' ' TYR . 18.4 Cg_endo -75.06 167.49 80.27 Favored 'Cis proline' 0 C--N 1.359 1.112 0 C-N-CA 121.015 -2.494 . . . . 0.0 110.918 -0.038 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 110' ' ' SER . . . . . 0.415 ' O ' ' HA ' ' A' ' 30' ' ' LYS . 0.5 OUTLIER -142.58 166.0 25.85 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.433 1.083 . . . . 0.0 110.058 179.981 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 111' ' ' TRP . . . . . 0.572 ' CE3' ' HB2' ' A' ' 30' ' ' LYS . 76.9 m95 -141.93 141.23 32.95 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.593 1.183 . . . . 0.0 108.009 -179.949 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -133.51 135.88 44.71 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.472 1.108 . . . . 0.0 109.282 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 113' ' ' LEU . . . . . 0.558 HD13 HD13 ' A' ' 28' ' ' LEU . 49.4 tp -108.73 133.94 52.13 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.523 1.139 . . . . 0.0 109.285 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 20.1 mm -122.38 128.13 75.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.492 1.12 . . . . 0.0 109.279 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 115' ' ' GLY . . . . . 0.405 ' CA ' ' HG2' ' A' ' 121' ' ' GLN . . . -52.58 168.16 0.88 Allowed Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.437 1.085 . . . . 0.0 110.906 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.18 -7.41 49.02 Favored 'General case' 0 C--N 1.327 -0.406 0 O-C-N 124.426 0.721 . . . . 0.0 109.269 -179.9 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 9.9 m-20 -103.72 1.43 31.78 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.481 1.113 . . . . 0.0 109.347 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . 80.74 33.77 29.6 Favored Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.512 1.133 . . . . 0.0 111.022 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 2.1 p30 -117.58 135.52 53.91 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.526 0.78 . . . . 0.0 109.298 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 53.0 t -44.68 116.19 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.473 1.108 . . . . 0.0 109.245 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 121' ' ' GLN . . . . . 0.405 ' HG2' ' CA ' ' A' ' 115' ' ' GLY . 5.3 mm-40 -93.02 -62.12 1.44 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.449 1.093 . . . . 0.0 110.27 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 2.7 tpt85 -158.28 137.49 11.61 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.434 1.084 . . . . 0.0 110.329 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 123' ' ' ILE . . . . . 0.761 HD12 HD13 ' A' ' 103' ' ' LEU . 0.6 OUTLIER -98.39 137.46 25.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.528 1.142 . . . . 0.0 109.366 179.972 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 42.3 t -124.94 130.88 73.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.473 1.108 . . . . 0.0 109.298 -179.935 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -116.2 134.12 55.26 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.503 1.127 . . . . 0.0 109.313 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . 115.11 -154.04 17.24 Favored Glycine 0 CA--C 1.532 1.099 0 O-C-N 124.414 1.071 . . . . 0.0 110.959 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -124.44 138.0 54.39 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.597 0.821 . . . . 0.0 109.964 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 128' ' ' ILE . . . . . 0.401 ' HA ' ' OE1' ' A' ' 132' ' ' GLN . 11.3 pt -115.67 162.62 13.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.541 1.151 . . . . 0.0 109.328 179.933 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 129' ' ' ASN . . . . . . . . . . . . . 2.2 p30 -108.92 167.57 9.99 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.458 1.099 . . . . 0.0 109.323 179.921 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 130' ' ' GLU . . . . . 0.426 ' O ' ' HB3' ' A' ' 133' ' ' ALA . 4.6 tt0 -47.28 -49.3 23.97 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.5 1.125 . . . . 0.0 110.28 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -48.51 -53.91 16.34 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.493 1.121 . . . . 0.0 109.285 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 132' ' ' GLN . . . . . 0.401 ' OE1' ' HA ' ' A' ' 128' ' ' ILE . 0.0 OUTLIER -51.13 -46.7 62.02 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.543 1.152 . . . . 0.0 110.326 179.995 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 133' ' ' ALA . . . . . 0.492 ' HB1' ' CZ ' ' A' ' 55' ' ' PHE . . . -51.92 -46.11 64.52 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.488 1.117 . . . . 0.0 109.308 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 134' ' ' LEU . . . . . 0.702 HD22 ' HG2' ' A' ' 54' ' ' LYS . 12.8 mt -66.53 -53.89 29.88 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.469 1.106 . . . . 0.0 109.313 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -53.95 -28.51 37.67 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.502 1.126 . . . . 0.0 109.234 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 136' ' ' LEU . . . . . 0.706 HD23 HG13 ' A' ' 137' ' ' ILE . 0.5 OUTLIER -69.24 -45.08 70.66 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.435 1.084 . . . . 0.0 109.295 179.98 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 137' ' ' ILE . . . . . 0.706 HG13 HD23 ' A' ' 136' ' ' LEU . 5.9 mt -75.9 -26.24 17.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.482 1.114 . . . . 0.0 109.301 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 1.4 tpp180 -78.66 -47.53 16.83 Favored 'General case' 0 C--N 1.323 -0.557 0 O-C-N 124.605 1.19 . . . . 0.0 110.273 -179.932 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 15.2 t0 -148.63 122.16 4.67 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.472 1.108 . . . . 0.0 109.289 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -14.21 21.21 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.517 1.798 . . . . 0.0 111.047 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 141' ' ' ASN . . . . . . . . . . . . . 56.8 m-80 -77.89 -20.01 53.72 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.492 1.12 . . . . 0.0 109.301 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -71.38 102.59 2.66 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.388 1.055 . . . . 0.0 109.249 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 143' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -165.4 130.53 2.51 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.471 1.107 . . . . 0.0 109.302 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.324 -0.506 0 O-C-N 124.604 1.19 . . . . 0.0 109.252 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.7 ' O ' HG23 ' A' ' 2' ' ' VAL . 0.4 OUTLIER . . . . . 0 N--CA 1.453 -0.287 0 CA-C-O 120.536 0.208 . . . . 0.0 110.965 . . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . 0.7 HG23 ' O ' ' A' ' 1' ' ' MET . 0.9 OUTLIER 163.56 -52.19 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.437 1.085 . . . . 0.0 109.268 179.965 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . 0.506 ' CD ' ' N ' ' A' ' 2' ' ' VAL . 18.4 Cg_endo -74.97 -29.22 8.51 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.538 1.81 . . . . 0.0 111.052 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . 0.446 ' O ' ' CB ' ' A' ' 8' ' ' THR . 2.9 t-160 -76.07 -32.05 59.07 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.423 1.077 . . . . 0.0 109.639 179.934 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 16.4 m -65.16 -53.54 43.42 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.563 1.164 . . . . 0.0 110.399 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.5 ' CD1' HD21 ' A' ' 21' ' ' LEU . 2.8 tm? -68.75 -35.79 77.54 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.42 1.075 . . . . 0.0 109.326 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . 0.461 ' O ' ' HB3' ' A' ' 17' ' ' ALA . 48.5 t -74.29 -22.37 59.31 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.414 1.072 . . . . 0.0 109.919 -179.916 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . 0.446 ' CB ' ' O ' ' A' ' 4' ' ' HIS . 1.0 OUTLIER -70.84 -27.06 63.57 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.416 1.072 . . . . 0.0 110.416 179.968 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.401 ' HB2' ' O ' ' A' ' 6' ' ' LEU . 1.8 mm? -47.05 144.99 2.3 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.494 1.121 . . . . 0.0 109.278 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.419 ' HA ' ' O ' ' A' ' 15' ' ' ARG . 11.7 mttt -105.74 144.17 32.85 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.466 1.104 . . . . 0.0 109.308 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . 0.486 ' CB ' ' O ' ' A' ' 91' ' ' VAL . 8.4 p -87.57 179.66 6.5 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.583 1.177 . . . . 0.0 110.33 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -68.17 -9.18 44.83 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.532 1.145 . . . . 0.0 109.359 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . 0.448 ' N ' ' OD1' ' A' ' 13' ' ' ASP . 0.0 OUTLIER -103.81 25.51 9.75 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.457 1.098 . . . . 0.0 109.283 -179.985 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 48.08 30.93 2.26 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.467 1.104 . . . . 0.0 109.299 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . 0.874 ' HD2' HG21 ' A' ' 19' ' ' VAL . 0.0 OUTLIER -105.27 156.67 35.86 Favored Pre-proline 0 C--N 1.326 -0.438 0 O-C-N 124.467 1.104 . . . . 0.0 110.255 -179.964 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . 0.806 ' O ' HG23 ' A' ' 19' ' ' VAL . 18.1 Cg_endo -74.98 130.32 13.18 Favored 'Trans proline' 0 C--N 1.361 1.205 0 O-C-N 124.432 1.754 . . . . 0.0 111.054 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.461 ' HB3' ' O ' ' A' ' 7' ' ' SER . . . -48.35 -32.1 7.02 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.446 1.091 . . . . 0.0 109.329 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 53.2 p -49.57 -23.92 1.88 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.564 1.165 . . . . 0.0 110.036 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.874 HG21 ' HD2' ' A' ' 15' ' ' ARG . 84.7 t -53.85 -31.84 21.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.527 1.142 . . . . 0.0 109.268 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 8.2 m-85 -133.64 23.22 3.98 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.568 1.168 . . . . 0.0 110.989 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.5 HD21 ' CD1' ' A' ' 6' ' ' LEU . 0.2 OUTLIER -111.45 122.25 47.34 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.481 1.113 . . . . 0.0 109.398 179.902 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -113.45 99.51 7.82 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.524 1.14 . . . . 0.0 109.324 -179.935 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.27 55.68 0.15 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.548 1.155 . . . . 0.0 109.298 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 5.9 t70 177.07 34.8 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.602 1.189 . . . . 0.0 109.228 -179.915 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 1.3 mttt -169.2 167.9 5.32 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.475 1.109 . . . . 0.0 109.322 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 135.19 18.67 Favored 'Trans proline' 0 C--N 1.358 1.064 0 O-C-N 124.531 1.806 . . . . 0.0 111.0 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . 0.418 ' OG1' ' ND2' ' A' ' 59' ' ' ASN . 88.4 m -116.45 127.48 54.63 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.429 1.081 . . . . 0.0 110.391 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.516 HD12 ' O ' ' A' ' 112' ' ' ALA . 14.1 tp -109.09 129.5 55.47 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.507 1.129 . . . . 0.0 109.36 179.934 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.584 ' HB ' ' HB3' ' A' ' 112' ' ' ALA . 7.9 mt -108.82 148.4 12.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.472 1.107 . . . . 0.0 109.32 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.409 ' HG3' ' CE2' ' A' ' 111' ' ' TRP . 17.6 tttp -138.66 114.6 10.06 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.514 1.134 . . . . 0.0 109.284 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . 0.701 ' CZ ' HD12 ' A' ' 105' ' ' ILE . 54.5 m-85 -84.79 131.69 34.51 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.517 1.136 . . . . 0.0 111.065 179.908 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' TRP . . . . . 0.585 ' CZ2' HD11 ' A' ' 43' ' ' LEU . 7.8 p-90 -137.73 167.46 21.66 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.499 1.124 . . . . 0.0 108.017 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -132.36 147.82 52.4 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.461 1.101 . . . . 0.0 109.313 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -72.23 -39.04 68.8 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.421 1.075 . . . . 0.0 109.98 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 22.0 p-90 -69.99 -14.97 62.95 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 107.942 -1.133 . . . . 0.0 107.942 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 42.4 t -86.95 114.28 57.53 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.438 1.087 . . . . 0.0 108.351 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 -47.42 0.2 Allowed 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.502 1.791 . . . . 0.0 111.013 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -53.95 -27.78 33.26 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.491 1.12 . . . . 0.0 109.271 179.937 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . 0.414 ' O ' ' N ' ' A' ' 43' ' ' LEU . 1.8 m -77.59 -54.38 6.47 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.375 1.047 . . . . 0.0 108.312 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 19.5 mt -51.23 -46.88 62.42 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.513 1.133 . . . . 0.0 109.361 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 9.0 p -62.75 -25.19 68.08 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.569 1.168 . . . . 0.0 110.038 179.917 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -87.38 -31.53 20.06 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.546 1.154 . . . . 0.0 110.354 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.698 ' CD1' HD21 ' A' ' 89' ' ' LEU . 0.2 OUTLIER -45.42 -51.72 11.04 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.529 1.143 . . . . 0.0 109.393 179.89 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -53.26 -49.84 54.66 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.477 1.11 . . . . 0.0 111.022 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . 0.406 ' HG3' ' CE2' ' A' ' 49' ' ' TRP . 5.1 tp60 -63.11 -32.87 74.35 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.48 0.753 . . . . 0.0 110.245 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 24.6 m -66.91 -34.16 77.17 Favored 'General case' 0 C--N 1.323 -0.562 0 O-C-N 124.551 1.157 . . . . 0.0 110.408 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . 0.469 ' CG ' ' HB2' ' A' ' 89' ' ' LEU . 31.6 tt0 -69.51 -31.88 70.39 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.484 1.115 . . . . 0.0 110.307 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.422 ' O ' ' CG ' ' A' ' 51' ' ' GLN . 3.5 tttt -78.06 -36.33 48.48 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.434 1.084 . . . . 0.0 109.35 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' TRP . . . . . 0.543 ' CZ2' ' HB2' ' A' ' 130' ' ' GLU . 47.4 m0 -75.63 -27.89 58.59 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.48 1.113 . . . . 0.0 108.004 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -67.42 -12.59 60.61 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.549 1.156 . . . . 0.0 109.325 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . 0.422 ' CG ' ' O ' ' A' ' 48' ' ' LYS . 5.5 pt20 -113.63 -1.84 13.94 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.57 1.169 . . . . 0.0 110.285 -179.941 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -68.44 121.75 16.99 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.489 1.118 . . . . 0.0 109.322 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -47.87 -50.58 26.05 Favored 'General case' 0 C--N 1.323 -0.548 0 O-C-N 124.62 1.2 . . . . 0.0 109.286 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . 0.651 ' HB3' HD22 ' A' ' 134' ' ' LEU . 0.1 OUTLIER -48.72 -39.45 24.8 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.455 1.097 . . . . 0.0 109.401 179.914 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . 0.883 ' CE1' HD12 ' A' ' 60' ' ' LEU . 0.1 OUTLIER -77.2 -27.72 53.66 Favored 'General case' 0 C--N 1.327 -0.403 0 O-C-N 124.509 1.131 . . . . 0.0 111.043 179.934 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 8.0 t -46.09 -38.84 8.54 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.477 1.111 . . . . 0.0 110.023 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 5.2 t -40.09 -51.91 2.57 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.519 1.137 . . . . 0.0 109.925 -179.926 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -112.72 165.8 11.94 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.505 1.128 . . . . 0.0 109.292 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . 0.418 ' ND2' ' OG1' ' A' ' 27' ' ' THR . 1.3 m-20 -89.0 123.55 33.43 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.502 1.126 . . . . 0.0 109.286 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.883 HD12 ' CE1' ' A' ' 55' ' ' PHE . 2.4 tt -109.93 127.36 54.71 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.558 1.161 . . . . 0.0 109.262 -179.932 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.627 ' N ' HD23 ' A' ' 60' ' ' LEU . 1.0 OUTLIER -153.5 162.22 2.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 O-C-N 124.45 1.094 . . . . 0.0 109.341 179.97 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . 0.536 ' HB ' ' CD1' ' A' ' 32' ' ' TRP . 32.7 p -114.76 148.98 37.61 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.418 1.074 . . . . 0.0 110.414 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . 0.416 HG22 ' HB ' ' A' ' 92' ' ' VAL . 2.2 t -122.95 145.06 30.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.525 1.141 . . . . 0.0 109.269 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -134.66 148.51 50.37 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.587 1.179 . . . . 0.0 109.295 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . 0.439 ' CB ' ' HB3' ' A' ' 68' ' ' PHE . 38.5 m -123.52 108.77 31.11 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.492 1.12 . . . . 0.0 109.913 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . 0.467 ' HA ' ' O ' ' A' ' 72' ' ' LYS . 18.4 Cg_endo -74.96 136.37 20.38 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.558 1.82 . . . . 0.0 110.997 179.899 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 72.22 2.49 53.89 Favored Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.511 1.132 . . . . 0.0 110.974 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . 0.439 ' HB3' ' CB ' ' A' ' 65' ' ' SER . 17.1 t80 -115.11 126.6 54.84 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.537 0.786 . . . . 0.0 111.054 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.654 ' CD2' ' CE2' ' A' ' 108' ' ' TYR . 1.2 mp 75.93 27.57 0.93 Allowed 'General case' 0 C--N 1.322 -0.594 0 O-C-N 124.533 1.146 . . . . 0.0 109.323 179.945 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER 64.89 23.05 12.58 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.535 1.147 . . . . 0.0 109.635 -179.916 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . 0.419 ' O ' ' C ' ' A' ' 72' ' ' LYS . 0.1 OUTLIER -86.78 144.5 27.03 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.409 1.068 . . . . 0.0 110.264 -179.939 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . 0.467 ' O ' ' HA ' ' A' ' 66' ' ' PRO . 3.9 mmtp -38.8 142.7 0.19 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.522 1.138 . . . . 0.0 109.299 -179.943 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.26 165.86 23.39 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.507 1.13 . . . . 0.0 109.341 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 11.4 t70 -53.1 154.73 2.89 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.512 1.133 . . . . 0.0 109.264 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . 0.464 ' CA ' ' HG3' ' A' ' 78' ' ' GLN . . . 77.99 -52.09 3.59 Favored Glycine 0 CA--C 1.529 0.946 0 O-C-N 124.496 1.122 . . . . 0.0 111.011 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -63.64 -53.61 48.8 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.412 0.713 . . . . 0.0 109.335 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 40.5 t80 -57.42 -31.08 65.5 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.404 1.065 . . . . 0.0 110.953 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' GLN . . . . . 0.464 ' HG3' ' CA ' ' A' ' 75' ' ' GLY . 4.6 mt-30 -63.3 -39.73 95.37 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.553 1.158 . . . . 0.0 110.291 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.3 -41.06 81.47 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.494 1.122 . . . . 0.0 109.347 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' TRP . . . . . . . . . . . . . 2.7 t90 -57.79 -48.33 79.99 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.547 1.154 . . . . 0.0 107.993 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' TYR . . . . . 0.404 ' O ' ' O ' ' A' ' 84' ' ' LEU . 62.0 t80 -67.2 -28.14 67.84 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.536 1.147 . . . . 0.0 111.005 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -81.08 4.07 21.13 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.434 1.084 . . . . 0.0 109.317 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -118.83 1.74 15.16 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.469 1.106 . . . . 0.0 110.93 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.677 HD12 ' C ' ' A' ' 84' ' ' LEU . 1.1 pp -159.63 169.88 22.8 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.447 0.734 . . . . 0.0 109.282 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' ASN . . . . . 0.613 ' ND2' HD22 ' A' ' 89' ' ' LEU . 2.5 m120 62.88 148.28 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.367 1.042 . . . . 0.0 109.259 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' TYR . . . . . 0.513 ' CD2' ' HD2' ' A' ' 87' ' ' PRO . 0.1 OUTLIER -92.42 160.8 34.14 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.521 1.138 . . . . 0.0 110.992 -179.998 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' PRO . . . . . 0.513 ' HD2' ' CD2' ' A' ' 86' ' ' TYR . 18.3 Cg_endo -74.99 45.81 1.41 Allowed 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.497 1.788 . . . . 0.0 111.049 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . 0.407 ' H ' ' C ' ' A' ' 86' ' ' TYR . 3.1 mmtt -138.02 9.52 2.79 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.475 1.109 . . . . 0.0 109.275 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 0.878 HD12 ' HD2' ' A' ' 90' ' ' PRO . 4.3 tp -112.54 129.79 24.04 Favored Pre-proline 0 C--N 1.324 -0.521 0 O-C-N 124.557 1.161 . . . . 0.0 109.384 179.945 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' PRO . . . . . 0.878 ' HD2' HD12 ' A' ' 89' ' ' LEU . 18.3 Cg_endo -74.95 127.73 10.95 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.488 1.783 . . . . 0.0 111.027 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . 0.486 ' O ' ' CB ' ' A' ' 11' ' ' THR . 53.9 t -145.83 117.63 2.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.44 1.088 . . . . 0.0 109.258 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . 0.416 ' HB ' HG22 ' A' ' 63' ' ' VAL . 84.9 t -108.28 137.3 40.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 O-C-N 124.405 1.066 . . . . 0.0 109.372 179.902 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 12.4 p -120.41 119.52 33.28 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.474 1.109 . . . . 0.0 110.458 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 58.0 t0 -115.2 111.48 21.04 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.619 1.199 . . . . 0.0 109.269 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 23.2 t-20 -56.26 115.2 2.33 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.385 1.053 . . . . 0.0 109.39 179.9 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 86.58 -18.12 35.8 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.475 1.109 . . . . 0.0 111.054 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 65.98 66.09 2.57 Favored Glycine 0 CA--C 1.529 0.967 0 N-CA-C 110.963 -0.855 . . . . 0.0 110.963 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 98' ' ' THR . . . . . 0.426 ' O ' ' N ' ' A' ' 102' ' ' SER . 1.2 m -57.88 -49.11 77.81 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.383 0.696 . . . . 0.0 110.411 179.944 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 6.4 mt -65.6 -47.39 86.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.121 . . . . 0.0 109.302 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -59.31 -38.42 80.19 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.514 1.134 . . . . 0.0 109.259 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 26.6 mt-30 -77.77 -36.29 50.72 Favored 'General case' 0 C--N 1.323 -0.558 0 O-C-N 124.489 1.118 . . . . 0.0 110.247 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . 0.426 ' N ' ' O ' ' A' ' 98' ' ' THR . 8.6 t -64.82 -30.93 71.95 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.494 1.121 . . . . 0.0 109.931 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . 0.484 HD21 HG21 ' A' ' 120' ' ' VAL . 48.1 mt -97.23 5.1 50.62 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.575 1.172 . . . . 0.0 109.317 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 16.3 t-20 53.46 46.89 25.27 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.456 1.097 . . . . 0.0 109.256 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 105' ' ' ILE . . . . . 0.701 HD12 ' CZ ' ' A' ' 31' ' ' PHE . 9.7 mt -93.86 112.53 26.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.526 1.141 . . . . 0.0 109.275 -179.947 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 11.8 p -133.69 33.28 3.5 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.467 1.104 . . . . 0.0 110.041 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 2.1 p -148.06 132.55 9.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.479 1.112 . . . . 0.0 109.32 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 108' ' ' TYR . . . . . 0.654 ' CE2' ' CD2' ' A' ' 69' ' ' LEU . 22.5 m-85 -130.34 152.92 81.05 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.499 1.124 . . . . 0.0 111.073 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 109' ' ' PRO . . . . . 0.533 ' C ' ' HA ' ' A' ' 108' ' ' TYR . 18.2 Cg_endo -75.07 161.41 94.86 Favored 'Cis proline' 0 C--N 1.36 1.144 0 C-N-CA 120.903 -2.541 . . . . 0.0 110.979 -0.0 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -136.55 163.72 29.87 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.547 1.154 . . . . 0.0 109.985 -179.931 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 111' ' ' TRP . . . . . 0.409 ' CE2' ' HG3' ' A' ' 30' ' ' LYS . 80.6 m95 -135.65 141.66 45.06 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.453 1.095 . . . . 0.0 108.121 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 112' ' ' ALA . . . . . 0.584 ' HB3' ' HB ' ' A' ' 29' ' ' ILE . . . -132.15 138.63 48.11 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.558 1.161 . . . . 0.0 109.293 -179.907 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 20.8 tp -108.93 131.61 54.87 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.496 1.122 . . . . 0.0 109.306 179.905 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 114' ' ' ILE . . . . . 0.674 HD13 ' HA ' ' A' ' 120' ' ' VAL . 41.2 mm -121.57 125.79 73.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.575 1.172 . . . . 0.0 109.282 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -55.32 169.08 2.15 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.521 1.138 . . . . 0.0 110.963 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -68.83 -12.12 61.2 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.499 0.764 . . . . 0.0 109.286 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -88.63 -19.12 26.64 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.513 1.133 . . . . 0.0 109.237 -179.911 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . 99.73 23.83 10.53 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.432 1.083 . . . . 0.0 110.967 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -111.71 154.49 24.91 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.555 0.797 . . . . 0.0 109.24 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 120' ' ' VAL . . . . . 0.674 ' HA ' HD13 ' A' ' 114' ' ' ILE . 27.0 t -58.26 113.04 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.437 1.086 . . . . 0.0 109.334 179.863 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 4.0 tp-100 -88.39 -55.03 3.9 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.398 1.061 . . . . 0.0 110.272 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -154.24 158.43 40.24 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.517 1.136 . . . . 0.0 110.381 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 123' ' ' ILE . . . . . . . . . . . . . 3.5 tt -120.22 138.57 50.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.518 1.136 . . . . 0.0 109.365 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 57.1 t -130.96 138.42 53.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.508 1.13 . . . . 0.0 109.359 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 25.5 mttt -121.71 120.24 34.09 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.462 1.101 . . . . 0.0 109.374 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . 126.96 -168.95 18.97 Favored Glycine 0 CA--C 1.531 1.071 0 O-C-N 124.501 1.125 . . . . 0.0 110.922 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -110.03 154.71 22.81 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.481 0.754 . . . . 0.0 109.963 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 128' ' ' ILE . . . . . . . . . . . . . 9.9 pt -134.26 162.56 38.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.6 1.187 . . . . 0.0 109.29 179.915 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 129' ' ' ASN . . . . . 0.609 ' ND2' ' HB3' ' A' ' 131' ' ' ALA . 3.3 p-10 -102.3 172.64 6.77 Favored 'General case' 0 C--N 1.323 -0.547 0 O-C-N 124.585 1.178 . . . . 0.0 109.292 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 130' ' ' GLU . . . . . 0.543 ' HB2' ' CZ2' ' A' ' 49' ' ' TRP . 29.6 tt0 -54.91 -48.59 72.87 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.46 1.1 . . . . 0.0 110.274 -179.95 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 131' ' ' ALA . . . . . 0.609 ' HB3' ' ND2' ' A' ' 129' ' ' ASN . . . -53.24 -51.2 62.96 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.507 1.13 . . . . 0.0 109.224 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 6.5 mt-30 -50.81 -44.72 59.14 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.463 1.102 . . . . 0.0 110.265 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 133' ' ' ALA . . . . . 0.619 ' O ' HD12 ' A' ' 137' ' ' ILE . . . -54.28 -38.82 66.29 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.566 1.166 . . . . 0.0 109.257 -179.941 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 134' ' ' LEU . . . . . 0.651 HD22 ' HB3' ' A' ' 54' ' ' LYS . 14.3 mt -68.93 -53.67 19.65 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.482 1.114 . . . . 0.0 109.323 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -55.47 -28.02 51.91 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.541 1.151 . . . . 0.0 109.263 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -71.95 -45.35 61.41 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.462 1.101 . . . . 0.0 109.27 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 137' ' ' ILE . . . . . 0.619 HD12 ' O ' ' A' ' 133' ' ' ALA . 6.0 mt -75.99 -22.99 15.97 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 O-C-N 124.469 1.106 . . . . 0.0 109.246 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 138' ' ' ARG . . . . . 0.425 ' N ' ' O ' ' A' ' 134' ' ' LEU . 0.2 OUTLIER -78.09 -47.47 18.22 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.543 1.152 . . . . 0.0 110.244 -179.97 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 16.0 t0 -163.65 126.82 1.73 Allowed Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.548 1.155 . . . . 0.0 109.262 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.08 -28.0 9.42 Favored 'Trans proline' 0 C--N 1.361 1.22 0 O-C-N 124.401 1.738 . . . . 0.0 110.963 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 141' ' ' ASN . . . . . . . . . . . . . 36.2 m-80 -67.0 -13.47 61.94 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.46 1.1 . . . . 0.0 109.321 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -62.28 141.53 58.21 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.504 1.128 . . . . 0.0 109.309 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 143' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 64.77 128.74 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.532 1.145 . . . . 0.0 109.25 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 1.3 pp . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.457 1.098 . . . . 0.0 109.323 179.977 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.474 ' HB3' ' CB ' ' A' ' 4' ' ' HIS . 1.0 OUTLIER . . . . . 0 N--CA 1.453 -0.286 0 CA-C-O 120.538 0.209 . . . . 0.0 111.004 . . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . 0.557 ' N ' ' CD ' ' A' ' 3' ' ' PRO . 1.0 OUTLIER -77.32 -49.46 2.29 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.456 1.097 . . . . 0.0 109.258 -179.965 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . 0.557 ' CD ' ' N ' ' A' ' 2' ' ' VAL . 18.1 Cg_endo -75.07 1.18 8.06 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.537 1.809 . . . . 0.0 110.922 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . 0.474 ' CB ' ' HB3' ' A' ' 1' ' ' MET . 0.7 OUTLIER -71.52 -53.94 12.18 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.523 1.139 . . . . 0.0 109.64 -179.986 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.515 ' O ' HD23 ' A' ' 9' ' ' LEU . 32.9 m -81.88 -35.62 29.08 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.469 1.106 . . . . 0.0 110.455 179.923 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -54.18 -38.73 65.91 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.556 1.16 . . . . 0.0 109.341 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 54.7 p -71.05 -23.14 62.08 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.471 1.107 . . . . 0.0 110.054 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 3.8 m -86.9 -9.03 56.67 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.479 1.112 . . . . 0.0 110.33 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.515 HD23 ' O ' ' A' ' 5' ' ' THR . 3.6 mm? -76.56 157.54 31.93 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.472 1.107 . . . . 0.0 109.174 -179.909 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.405 ' HA ' ' O ' ' A' ' 15' ' ' ARG . 6.4 mttt -137.94 149.09 45.88 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.537 1.148 . . . . 0.0 109.327 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . 0.592 HG22 HG22 ' A' ' 92' ' ' VAL . 22.8 p -82.72 178.31 8.25 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.355 1.034 . . . . 0.0 110.429 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . 0.453 ' HB3' ' CE2' ' A' ' 81' ' ' TYR . . . -68.0 -12.12 60.18 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.424 1.077 . . . . 0.0 109.322 179.941 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -94.7 16.4 15.79 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.434 1.083 . . . . 0.0 109.282 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 55.23 34.89 23.69 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.491 1.119 . . . . 0.0 109.252 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . 0.405 ' O ' ' HA ' ' A' ' 10' ' ' LYS . 0.7 OUTLIER -111.76 152.73 44.35 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.52 1.137 . . . . 0.0 110.36 179.973 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 17.9 Cg_endo -74.93 133.79 17.14 Favored 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.548 1.815 . . . . 0.0 111.004 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.424 ' HB1' HD13 ' A' ' 21' ' ' LEU . . . -54.07 -26.95 29.57 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.444 1.09 . . . . 0.0 109.32 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 44.3 t -51.96 -31.92 31.12 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.52 1.137 . . . . 0.0 110.036 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 55.9 t -59.1 -29.81 42.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.515 1.135 . . . . 0.0 109.326 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 12.2 m-85 -118.38 22.76 11.94 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.485 1.116 . . . . 0.0 110.993 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.424 HD13 ' HB1' ' A' ' 17' ' ' ALA . 0.2 OUTLIER -132.5 106.82 8.08 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.468 1.105 . . . . 0.0 109.329 179.971 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -104.69 115.41 30.27 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.566 1.167 . . . . 0.0 109.361 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.58 51.75 0.37 Allowed 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.523 1.139 . . . . 0.0 109.256 -179.952 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -168.44 28.01 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.556 1.16 . . . . 0.0 109.218 179.922 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 7.4 ptmm? -169.3 161.61 7.59 Favored Pre-proline 0 C--N 1.324 -0.536 0 O-C-N 124.54 1.15 . . . . 0.0 109.37 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 144.74 30.6 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.419 1.747 . . . . 0.0 111.03 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 20.1 m -125.23 140.91 52.43 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.523 1.139 . . . . 0.0 110.44 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.552 HD21 ' CE3' ' A' ' 111' ' ' TRP . 5.3 tp -121.56 136.42 54.95 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.564 1.165 . . . . 0.0 109.309 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.698 ' HB ' ' HB3' ' A' ' 112' ' ' ALA . 1.3 mt -116.18 149.95 18.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.498 1.124 . . . . 0.0 109.292 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.571 ' HB2' ' CZ3' ' A' ' 111' ' ' TRP . 1.2 tttm -136.88 121.64 18.63 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.454 1.096 . . . . 0.0 109.304 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . 0.581 ' HB3' ' CE1' ' A' ' 108' ' ' TYR . 61.0 m-85 -94.05 125.83 38.91 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.558 1.161 . . . . 0.0 111.029 179.932 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' TRP . . . . . 0.686 ' CZ3' HD11 ' A' ' 43' ' ' LEU . 9.4 p-90 -131.19 165.75 22.65 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.551 1.157 . . . . 0.0 108.024 179.94 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . 0.514 ' HB1' ' CE2' ' A' ' 35' ' ' TRP . . . -132.24 145.64 51.46 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.504 1.127 . . . . 0.0 109.295 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . 0.732 ' O ' HD11 ' A' ' 40' ' ' LEU . 0.1 OUTLIER -70.29 -24.47 63.04 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.458 1.099 . . . . 0.0 109.955 179.946 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' TRP . . . . . 0.514 ' CE2' ' HB1' ' A' ' 33' ' ' ALA . 20.3 p-90 -81.49 -9.31 59.73 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 108.011 -1.107 . . . . 0.0 108.011 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 50.0 t -93.67 116.57 66.63 Favored Pre-proline 0 C--N 1.324 -0.528 0 O-C-N 124.509 1.131 . . . . 0.0 108.364 179.904 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.91 -48.4 0.18 Allowed 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.49 1.784 . . . . 0.0 111.067 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -52.29 -30.65 29.09 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.521 1.138 . . . . 0.0 109.387 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 2.3 m -77.79 -50.27 12.68 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.543 1.152 . . . . 0.0 108.321 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.732 HD11 ' O ' ' A' ' 34' ' ' SER . 8.7 mt -51.46 -46.92 63.23 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.573 1.171 . . . . 0.0 109.302 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 88.4 p -69.94 -25.24 63.56 Favored 'General case' 0 C--N 1.323 -0.554 0 O-C-N 124.539 1.149 . . . . 0.0 109.967 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -80.23 -24.15 40.4 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.531 1.145 . . . . 0.0 110.261 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.686 HD11 ' CZ3' ' A' ' 32' ' ' TRP . 55.7 mt -44.32 -53.14 7.01 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.496 1.122 . . . . 0.0 109.355 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -56.09 -50.06 63.93 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.524 1.14 . . . . 0.0 110.95 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 1.3 tt0 -62.75 -31.29 72.2 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.469 0.747 . . . . 0.0 110.321 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . 0.427 ' O ' ' CB ' ' A' ' 50' ' ' ALA . 29.3 m -67.46 -33.37 74.99 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.487 1.117 . . . . 0.0 110.423 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 26.6 tt0 -70.08 -40.23 75.13 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.44 1.087 . . . . 0.0 110.271 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 27.4 tttt -70.71 -35.52 72.78 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.556 1.16 . . . . 0.0 109.326 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' TRP . . . . . 0.612 ' O ' ' CD2' ' A' ' 55' ' ' PHE . 44.8 m0 -77.69 -42.49 34.36 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.574 1.172 . . . . 0.0 107.918 -179.925 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.427 ' CB ' ' O ' ' A' ' 46' ' ' THR . . . -65.87 -14.36 61.34 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.489 1.118 . . . . 0.0 109.331 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 1.3 pp0? -113.95 6.21 16.47 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.564 1.165 . . . . 0.0 110.246 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . 0.427 ' OD2' ' CD1' ' A' ' 55' ' ' PHE . 18.5 t0 -67.04 142.5 57.16 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.54 1.15 . . . . 0.0 109.358 179.905 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -63.0 -51.94 64.91 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.535 1.147 . . . . 0.0 109.325 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . 0.459 ' HB3' ' CD2' ' A' ' 134' ' ' LEU . 27.4 mmtm -51.84 -32.77 33.25 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.522 1.139 . . . . 0.0 109.285 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . 0.612 ' CD2' ' O ' ' A' ' 49' ' ' TRP . 3.2 m-85 -77.08 -27.12 54.12 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.538 1.149 . . . . 0.0 110.957 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -45.01 -27.11 0.51 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.511 1.132 . . . . 0.0 109.967 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . 0.403 ' N ' ' C ' ' A' ' 55' ' ' PHE . 49.8 m -52.45 -58.24 7.33 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 0.0 109.961 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . 0.417 ' O ' ' O ' ' A' ' 55' ' ' PHE . . . -110.59 166.62 10.86 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.557 1.16 . . . . 0.0 109.332 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 91.8 m-20 -88.1 135.33 33.48 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.585 1.178 . . . . 0.0 109.302 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.758 HD23 ' N ' ' A' ' 61' ' ' ILE . 3.8 tt -127.24 126.93 43.59 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.475 1.109 . . . . 0.0 109.267 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.758 ' N ' HD23 ' A' ' 60' ' ' LEU . 0.2 OUTLIER -150.81 160.79 3.92 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.518 1.136 . . . . 0.0 109.355 179.959 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . 0.453 ' HB ' ' CD1' ' A' ' 32' ' ' TRP . 7.3 p -108.07 151.14 26.26 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.42 1.075 . . . . 0.0 110.339 -179.954 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . 0.44 HG22 ' HB ' ' A' ' 92' ' ' VAL . 2.6 t -124.72 143.98 36.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.548 1.155 . . . . 0.0 109.267 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . 0.446 ' N ' ' O ' ' A' ' 92' ' ' VAL . . . -133.86 148.31 51.26 Favored 'General case' 0 C--N 1.327 -0.401 0 O-C-N 124.436 1.085 . . . . 0.0 109.334 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . 0.47 ' CB ' ' HB3' ' A' ' 68' ' ' PHE . 10.9 m -120.27 108.28 38.24 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.432 1.082 . . . . 0.0 109.985 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . 0.426 ' HA ' ' O ' ' A' ' 72' ' ' LYS . 18.3 Cg_endo -75.0 134.47 17.85 Favored 'Trans proline' 0 C--N 1.359 1.082 0 O-C-N 124.473 1.775 . . . . 0.0 110.998 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 67.46 14.72 64.96 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.518 1.136 . . . . 0.0 110.915 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . 0.749 ' CE2' HD23 ' A' ' 69' ' ' LEU . 65.7 t80 -124.22 145.97 49.02 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.526 0.78 . . . . 0.0 111.017 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.749 HD23 ' CE2' ' A' ' 68' ' ' PHE . 0.2 OUTLIER 54.34 47.2 23.49 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.503 1.127 . . . . 0.0 109.285 179.927 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 18.3 m-70 50.97 41.0 26.66 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.515 1.134 . . . . 0.0 109.624 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . 0.423 ' CB ' ' O ' ' A' ' 68' ' ' PHE . 14.5 tp10 -103.75 161.27 14.07 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.49 1.119 . . . . 0.0 110.327 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . 0.426 ' O ' ' HA ' ' A' ' 66' ' ' PRO . 6.9 mmtt -57.39 132.14 52.19 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.422 1.076 . . . . 0.0 109.314 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 47.4 mtmt -62.69 158.6 18.08 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.521 1.138 . . . . 0.0 109.262 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -49.2 157.92 0.41 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.536 1.148 . . . . 0.0 109.306 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 76.68 -53.33 3.26 Favored Glycine 0 CA--C 1.531 1.061 0 O-C-N 124.481 1.113 . . . . 0.0 110.975 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -61.24 -52.03 66.46 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.533 0.784 . . . . 0.0 109.315 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 35.1 t80 -59.62 -27.36 66.25 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.555 1.159 . . . . 0.0 110.874 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 5.6 mt-30 -70.78 -28.73 64.88 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.496 1.123 . . . . 0.0 110.253 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.42 -39.57 62.54 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.475 1.109 . . . . 0.0 109.346 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' TRP . . . . . 0.575 ' CE3' ' OG ' ' A' ' 34' ' ' SER . 3.7 t90 -59.7 -53.5 57.24 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 107.932 -1.136 . . . . 0.0 107.932 -179.855 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' TYR . . . . . 0.453 ' CE2' ' HB3' ' A' ' 12' ' ' ALA . 1.7 t80 -54.32 -33.01 57.98 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.451 1.094 . . . . 0.0 110.942 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -70.74 -8.34 51.51 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.465 1.103 . . . . 0.0 109.251 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -118.02 -0.07 17.08 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.499 1.124 . . . . 0.0 110.992 179.931 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.552 HD13 HD13 ' A' ' 43' ' ' LEU . 11.0 mt -84.51 137.91 33.07 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.451 0.736 . . . . 0.0 109.247 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 4.9 m120 -72.56 177.01 4.94 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.567 1.167 . . . . 0.0 109.353 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' TYR . . . . . 0.45 ' N ' ' HD3' ' A' ' 87' ' ' PRO . 9.6 m-85 51.68 60.97 13.29 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.463 1.102 . . . . 0.0 111.001 -179.94 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' PRO . . . . . 0.45 ' HD3' ' N ' ' A' ' 86' ' ' TYR . 18.4 Cg_endo -75.04 44.73 1.22 Allowed 'Trans proline' 0 C--N 1.361 1.207 0 O-C-N 124.512 1.796 . . . . 0.0 111.018 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . 0.4 ' H ' ' C ' ' A' ' 86' ' ' TYR . 0.0 OUTLIER -133.37 6.09 3.81 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.497 1.123 . . . . 0.0 109.23 -179.972 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 0.518 ' CD2' HG23 ' A' ' 91' ' ' VAL . 0.0 OUTLIER -94.43 146.28 31.23 Favored Pre-proline 0 C--N 1.324 -0.521 0 O-C-N 124.529 1.143 . . . . 0.0 109.232 -179.925 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.96 127.82 11.02 Favored 'Trans proline' 0 C--N 1.361 1.21 0 O-C-N 124.469 1.773 . . . . 0.0 110.999 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . 0.518 HG23 ' CD2' ' A' ' 89' ' ' LEU . 37.1 t -139.13 118.64 13.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.54 1.15 . . . . 0.0 109.312 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . 0.592 HG22 HG22 ' A' ' 11' ' ' THR . 80.5 t -107.97 143.22 18.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 O-C-N 124.514 1.134 . . . . 0.0 109.252 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 3.1 p -128.15 116.07 19.37 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.434 1.084 . . . . 0.0 110.413 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . 0.449 ' HA ' HD11 ' A' ' 9' ' ' LEU . 60.8 t0 -114.89 111.47 21.24 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.448 1.093 . . . . 0.0 109.29 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -57.91 112.3 1.45 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.521 1.138 . . . . 0.0 109.256 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 86.29 -16.3 44.78 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.499 1.124 . . . . 0.0 111.042 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 61.35 67.28 2.19 Favored Glycine 0 CA--C 1.53 1.002 0 N-CA-C 111.001 -0.84 . . . . 0.0 111.001 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 98' ' ' THR . . . . . 0.473 ' O ' ' CB ' ' A' ' 102' ' ' SER . 1.3 m -60.04 -30.3 69.09 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.515 0.773 . . . . 0.0 110.37 -179.952 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 3.3 mt -80.77 -36.14 15.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.431 1.082 . . . . 0.0 109.282 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . 0.467 ' HA ' HD12 ' A' ' 105' ' ' ILE . . . -74.18 -38.48 63.64 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.497 1.123 . . . . 0.0 109.309 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 2.5 tt0 -77.38 -32.82 55.18 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.472 1.107 . . . . 0.0 110.288 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . 0.473 ' CB ' ' O ' ' A' ' 98' ' ' THR . 29.0 t -72.68 -20.67 61.2 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.421 1.076 . . . . 0.0 109.99 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . 0.41 HD21 HG21 ' A' ' 120' ' ' VAL . 80.6 mt -106.12 -7.48 17.93 Favored 'General case' 0 C--N 1.327 -0.411 0 O-C-N 124.413 1.071 . . . . 0.0 109.325 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 58.5 t30 65.7 55.99 0.95 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.5 1.125 . . . . 0.0 109.366 -179.919 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 105' ' ' ILE . . . . . 0.543 ' CD1' ' CZ ' ' A' ' 31' ' ' PHE . 79.1 mt -97.14 117.55 41.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.468 1.105 . . . . 0.0 109.285 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 5.2 p -142.1 30.9 1.59 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.481 1.113 . . . . 0.0 110.01 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 1.5 p -147.35 132.32 11.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.53 1.144 . . . . 0.0 109.271 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 108' ' ' TYR . . . . . 0.581 ' CE1' ' HB3' ' A' ' 31' ' ' PHE . 22.5 m-85 -131.42 152.62 80.82 Favored Pre-proline 0 C--N 1.326 -0.44 0 O-C-N 124.497 1.123 . . . . 0.0 111.039 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 109' ' ' PRO . . . . . 0.524 ' C ' ' HA ' ' A' ' 108' ' ' TYR . 18.3 Cg_endo -74.92 167.74 79.48 Favored 'Cis proline' 0 C--N 1.358 1.057 0 C-N-CA 121.047 -2.48 . . . . 0.0 111.043 -0.06 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 110' ' ' SER . . . . . 0.418 ' O ' ' HA ' ' A' ' 30' ' ' LYS . 0.6 OUTLIER -142.82 157.45 44.6 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.51 1.131 . . . . 0.0 110.031 179.965 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 111' ' ' TRP . . . . . 0.571 ' CZ3' ' HB2' ' A' ' 30' ' ' LYS . 93.4 m95 -132.49 140.3 48.3 Favored 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 107.947 -1.131 . . . . 0.0 107.947 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 112' ' ' ALA . . . . . 0.698 ' HB3' ' HB ' ' A' ' 29' ' ' ILE . . . -124.51 138.25 54.35 Favored 'General case' 0 C--N 1.327 -0.398 0 O-C-N 124.525 1.141 . . . . 0.0 109.275 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 113' ' ' LEU . . . . . 0.431 ' O ' HD13 ' A' ' 114' ' ' ILE . 43.3 tp -109.02 134.25 51.92 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.397 1.061 . . . . 0.0 109.295 -179.95 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 114' ' ' ILE . . . . . 0.596 HD13 ' HA ' ' A' ' 120' ' ' VAL . 45.4 mm -123.09 131.15 73.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.537 1.148 . . . . 0.0 109.238 -179.95 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -62.82 172.15 10.77 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.554 1.159 . . . . 0.0 111.04 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.97 -11.78 61.12 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.418 0.717 . . . . 0.0 109.255 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -88.69 -12.47 42.25 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.535 1.147 . . . . 0.0 109.181 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . 88.74 33.31 10.1 Favored Glycine 0 CA--C 1.531 1.075 0 O-C-N 124.552 1.157 . . . . 0.0 111.045 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -124.38 154.01 41.0 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.514 0.773 . . . . 0.0 109.36 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 120' ' ' VAL . . . . . 0.596 ' HA ' HD13 ' A' ' 114' ' ' ILE . 0.3 OUTLIER -54.28 117.96 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.473 1.108 . . . . 0.0 109.348 179.985 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 2.0 tt0 -97.45 -51.71 4.05 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.5 1.125 . . . . 0.0 110.293 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 122' ' ' ARG . . . . . 0.426 ' CD ' ' OD2' ' A' ' 143' ' ' ASP . 0.0 OUTLIER -156.71 140.98 16.55 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.488 1.117 . . . . 0.0 110.328 179.984 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 123' ' ' ILE . . . . . . . . . . . . . 20.6 tt -104.56 138.25 30.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.459 1.099 . . . . 0.0 109.322 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 57.8 t -126.93 138.76 53.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.425 1.078 . . . . 0.0 109.306 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -118.73 126.78 52.64 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.441 1.088 . . . . 0.0 109.31 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . 119.6 -138.96 13.68 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.51 1.131 . . . . 0.0 111.017 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -139.19 157.52 45.79 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.525 0.779 . . . . 0.0 110.04 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 128' ' ' ILE . . . . . 0.41 ' HA ' ' OE1' ' A' ' 132' ' ' GLN . 4.7 pt -129.04 167.0 25.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.584 1.177 . . . . 0.0 109.314 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 129' ' ' ASN . . . . . 0.686 HD22 ' HB3' ' A' ' 131' ' ' ALA . 1.2 p-10 -107.43 163.42 13.06 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.48 1.112 . . . . 0.0 109.188 -179.878 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 130' ' ' GLU . . . . . 0.402 ' HB2' ' CE2' ' A' ' 49' ' ' TRP . 23.4 tt0 -53.61 -34.91 60.11 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.505 1.128 . . . . 0.0 110.314 179.934 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 131' ' ' ALA . . . . . 0.686 ' HB3' HD22 ' A' ' 129' ' ' ASN . . . -65.41 -49.04 70.74 Favored 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.417 1.073 . . . . 0.0 109.241 -179.94 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 132' ' ' GLN . . . . . 0.41 ' OE1' ' HA ' ' A' ' 128' ' ' ILE . 37.2 mt-30 -51.54 -43.75 62.43 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.536 1.148 . . . . 0.0 110.313 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 133' ' ' ALA . . . . . 0.659 ' O ' HD12 ' A' ' 137' ' ' ILE . . . -57.88 -37.11 73.38 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.571 1.17 . . . . 0.0 109.341 179.941 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 134' ' ' LEU . . . . . 0.459 ' CD2' ' HB3' ' A' ' 54' ' ' LYS . 16.8 mt -66.5 -49.83 65.28 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.471 1.107 . . . . 0.0 109.295 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -57.19 -22.34 39.9 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.592 1.183 . . . . 0.0 109.244 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 12.4 tp -79.03 -39.45 33.99 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.556 1.16 . . . . 0.0 109.331 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 137' ' ' ILE . . . . . 0.659 HD12 ' O ' ' A' ' 133' ' ' ALA . 1.6 mp -82.37 -21.57 9.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.519 1.137 . . . . 0.0 109.395 179.89 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 138' ' ' ARG . . . . . 0.446 ' N ' ' O ' ' A' ' 134' ' ' LEU . 0.0 OUTLIER -84.46 -47.25 10.83 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.47 1.106 . . . . 0.0 110.322 -179.976 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 33.9 t0 -113.03 118.88 43.71 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.608 1.192 . . . . 0.0 109.318 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.06 -21.87 15.3 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.503 1.791 . . . . 0.0 111.022 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 141' ' ' ASN . . . . . . . . . . . . . 28.6 m-20 -73.35 -21.48 60.53 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.467 1.104 . . . . 0.0 109.32 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -71.76 97.83 1.85 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.468 1.105 . . . . 0.0 109.307 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 143' ' ' ASP . . . . . 0.426 ' OD2' ' CD ' ' A' ' 122' ' ' ARG . 0.3 OUTLIER 64.64 106.65 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.572 1.17 . . . . 0.0 109.323 179.985 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.325 -0.498 0 O-C-N 124.397 1.06 . . . . 0.0 109.327 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 5.5 ttt . . . . . 0 N--CA 1.453 -0.289 0 CA-C-O 120.453 0.168 . . . . 0.0 111.033 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . 0.507 HG13 ' HD2' ' A' ' 3' ' ' PRO . 32.1 t -151.69 137.82 11.43 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.533 1.146 . . . . 0.0 109.278 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . 0.507 ' HD2' HG13 ' A' ' 2' ' ' VAL . 18.3 Cg_endo -75.07 -36.52 2.46 Favored 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.525 1.802 . . . . 0.0 110.989 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 10.8 t-80 -50.66 -35.93 33.15 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.541 1.15 . . . . 0.0 109.554 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 28.2 p -82.57 -49.63 9.66 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.477 1.111 . . . . 0.0 110.367 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.439 HD23 HD13 ' A' ' 21' ' ' LEU . 3.9 tp -54.9 -49.23 71.74 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.459 1.099 . . . . 0.0 109.27 -179.939 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 17.0 m -59.32 -28.14 66.53 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.568 1.167 . . . . 0.0 110.009 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 1.7 m -78.2 -19.16 54.41 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.531 1.144 . . . . 0.0 110.333 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.421 HD11 ' HA ' ' A' ' 94' ' ' ASP . 2.4 mm? -79.07 148.57 32.39 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.538 1.149 . . . . 0.0 109.285 -179.914 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 2.8 mtmm -118.78 158.18 26.11 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.433 1.083 . . . . 0.0 109.357 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 13.6 p -88.44 -177.61 5.66 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.512 1.132 . . . . 0.0 110.403 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . 0.475 ' HB3' ' CE2' ' A' ' 81' ' ' TYR . . . -74.6 -4.42 37.0 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.39 1.056 . . . . 0.0 109.246 -179.954 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -103.51 20.59 17.61 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.546 1.153 . . . . 0.0 109.348 179.87 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 55.72 31.53 17.65 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.497 1.123 . . . . 0.0 109.352 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 38.8 mtt180 -111.89 149.13 40.37 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.528 1.143 . . . . 0.0 110.267 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 132.36 15.33 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.479 1.778 . . . . 0.0 110.988 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -67.65 -16.44 64.16 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.487 1.117 . . . . 0.0 109.256 -179.938 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -60.56 -18.74 54.49 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.518 1.136 . . . . 0.0 109.972 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 71.8 t -74.96 -17.58 16.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.539 1.149 . . . . 0.0 109.301 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . 0.475 ' CZ ' ' HB3' ' A' ' 90' ' ' PRO . 27.2 m-85 -103.71 18.66 21.43 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.558 1.162 . . . . 0.0 111.13 179.877 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.82 HD11 HG21 ' A' ' 27' ' ' THR . 0.0 OUTLIER -145.98 120.36 9.64 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.61 1.194 . . . . 0.0 109.232 -179.917 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . 0.447 ' CB ' ' O ' ' A' ' 21' ' ' LEU . 1.5 mmtp 168.15 -173.49 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.516 1.135 . . . . 0.0 109.388 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.402 ' O ' ' C ' ' A' ' 24' ' ' ASP . 0.1 OUTLIER 65.41 20.44 11.76 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.48 1.112 . . . . 0.0 109.319 179.994 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . 0.402 ' C ' ' O ' ' A' ' 23' ' ' LYS . 0.7 OUTLIER 40.42 39.2 0.66 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.476 1.11 . . . . 0.0 109.313 -179.964 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.411 ' HB2' ' HD2' ' A' ' 26' ' ' PRO . 0.0 OUTLIER -105.54 171.22 5.08 Favored Pre-proline 0 C--N 1.324 -0.539 0 O-C-N 124.508 1.13 . . . . 0.0 109.33 179.965 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . 0.411 ' HD2' ' HB2' ' A' ' 25' ' ' LYS . 18.1 Cg_endo -75.01 153.5 41.75 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.484 1.781 . . . . 0.0 111.006 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . 0.82 HG21 HD11 ' A' ' 21' ' ' LEU . 52.5 m -130.15 140.78 50.73 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.487 1.117 . . . . 0.0 110.416 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 9.6 tp -121.05 121.55 38.17 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.52 1.137 . . . . 0.0 109.242 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.468 ' CG2' HG23 ' A' ' 63' ' ' VAL . 2.8 mt -109.78 147.78 13.9 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 O-C-N 124.43 1.081 . . . . 0.0 109.304 179.924 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.539 ' HB2' ' CE3' ' A' ' 111' ' ' TRP . 7.0 tttp -139.22 129.23 25.08 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.552 1.158 . . . . 0.0 109.28 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . 0.535 ' HB3' ' CE1' ' A' ' 108' ' ' TYR . 23.7 m-85 -101.16 146.13 27.9 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.452 1.095 . . . . 0.0 110.988 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' TRP . . . . . 0.586 ' CE3' ' SG ' ' A' ' 39' ' ' CYS . 0.3 OUTLIER -166.34 159.24 14.62 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.544 1.153 . . . . 0.0 108.019 179.985 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . 0.559 ' HB1' ' CD1' ' A' ' 35' ' ' TRP . . . -109.74 156.45 20.28 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.507 1.13 . . . . 0.0 109.333 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . 0.566 ' HB3' ' CZ3' ' A' ' 80' ' ' TRP . 3.7 t -79.47 -19.49 49.66 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.602 1.189 . . . . 0.0 109.98 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' TRP . . . . . 0.559 ' CD1' ' HB1' ' A' ' 33' ' ' ALA . 22.1 p-90 -77.0 -16.64 59.26 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 108.025 -1.102 . . . . 0.0 108.025 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . 0.597 ' SG ' HD23 ' A' ' 38' ' ' LEU . 51.1 t -75.19 133.11 75.43 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.518 1.136 . . . . 0.0 108.345 179.89 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 -44.31 0.35 Allowed 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.495 1.787 . . . . 0.0 111.051 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.597 HD23 ' SG ' ' A' ' 36' ' ' CYS . 0.2 OUTLIER -61.07 -33.23 73.0 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.573 1.17 . . . . 0.0 109.33 179.928 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . 0.586 ' SG ' ' CE3' ' A' ' 32' ' ' TRP . 7.2 t -64.2 -56.71 12.77 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.601 1.188 . . . . 0.0 108.304 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.401 HD23 HD11 ' A' ' 43' ' ' LEU . 29.1 mt -50.88 -44.39 59.79 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.53 1.144 . . . . 0.0 109.3 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 81.1 p -73.01 -24.99 60.81 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.427 1.079 . . . . 0.0 109.957 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . 0.439 ' HG3' HD12 ' A' ' 38' ' ' LEU . 5.1 mt-10 -82.14 -13.79 56.68 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.553 1.158 . . . . 0.0 110.22 -179.888 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.41 ' CD1' HD22 ' A' ' 84' ' ' LEU . 34.5 mt -44.15 -50.85 8.48 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.551 1.157 . . . . 0.0 109.313 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -67.24 -53.92 23.22 Favored Glycine 0 CA--C 1.529 0.931 0 O-C-N 124.579 1.174 . . . . 0.0 110.999 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 15.0 tt0 -51.61 -40.77 60.51 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.473 0.749 . . . . 0.0 110.317 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 60.0 m -67.64 -43.01 81.36 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.564 1.165 . . . . 0.0 110.482 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . 0.444 ' CG ' ' HB2' ' A' ' 89' ' ' LEU . 47.2 tt0 -71.43 -28.63 64.12 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.5 1.125 . . . . 0.0 110.291 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 5.7 tttt -77.79 -36.47 50.37 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.393 1.058 . . . . 0.0 109.307 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' TRP . . . . . . . . . . . . . 19.6 m0 -68.49 -41.6 79.84 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.507 1.129 . . . . 0.0 108.017 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -63.73 -13.12 40.64 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.483 1.114 . . . . 0.0 109.359 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 2.9 mm-40 -100.06 -17.83 17.28 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.473 1.108 . . . . 0.0 110.272 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . 0.6 ' OD1' ' CD1' ' A' ' 55' ' ' PHE . 6.4 t0 -59.11 123.38 16.44 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.496 1.122 . . . . 0.0 109.245 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -55.06 -50.03 70.14 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.519 1.137 . . . . 0.0 109.259 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 9.1 mtpp -49.06 -46.04 43.89 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.58 1.175 . . . . 0.0 109.296 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . 0.6 ' CD1' ' OD1' ' A' ' 52' ' ' ASP . 14.5 m-30 -76.88 -27.82 55.14 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.48 1.113 . . . . 0.0 110.977 -179.944 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . 0.44 ' N ' ' O ' ' A' ' 52' ' ' ASP . 14.3 t -45.98 -39.95 9.71 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.47 1.106 . . . . 0.0 110.008 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . 0.402 ' C ' ' O ' ' A' ' 56' ' ' SER . 71.2 m -38.8 -64.43 0.44 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.395 1.06 . . . . 0.0 109.98 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -88.29 166.05 14.58 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.525 1.141 . . . . 0.0 109.29 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . 0.734 ' HB2' HG23 ' A' ' 27' ' ' THR . 0.8 OUTLIER -88.58 122.21 31.79 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.563 1.164 . . . . 0.0 109.263 -179.97 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.829 HD23 ' N ' ' A' ' 61' ' ' ILE . 3.3 tt -112.96 129.58 56.43 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.495 1.122 . . . . 0.0 109.301 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.829 ' N ' HD23 ' A' ' 60' ' ' LEU . 1.0 OUTLIER -153.4 163.0 2.0 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.622 1.201 . . . . 0.0 109.241 -179.954 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . 0.453 HG23 ' O ' ' A' ' 90' ' ' PRO . 6.2 p -112.78 158.86 19.59 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.489 1.118 . . . . 0.0 110.489 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . 0.468 HG23 ' CG2' ' A' ' 29' ' ' ILE . 45.4 t -123.35 138.59 52.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.495 1.122 . . . . 0.0 109.268 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . 0.409 ' O ' ' HA ' ' A' ' 93' ' ' THR . . . -134.34 123.5 24.25 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.511 1.132 . . . . 0.0 109.204 -179.913 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . 0.4 ' CB ' ' HB3' ' A' ' 68' ' ' PHE . 5.1 t -103.45 107.59 56.45 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.47 1.106 . . . . 0.0 110.055 179.947 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -75.01 136.99 21.1 Favored 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.476 1.777 . . . . 0.0 111.026 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 68.31 10.8 60.56 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.492 1.12 . . . . 0.0 110.981 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . 0.595 ' CE2' HD23 ' A' ' 69' ' ' LEU . 76.9 t80 -127.44 136.71 52.19 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.58 0.812 . . . . 0.0 111.056 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.595 HD23 ' CE2' ' A' ' 68' ' ' PHE . 0.2 OUTLIER 66.94 47.49 1.42 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.487 1.117 . . . . 0.0 109.294 179.994 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER 54.44 26.72 7.38 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.471 1.107 . . . . 0.0 109.555 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . 0.422 ' HG3' ' N ' ' A' ' 72' ' ' LYS . 26.6 tp10 -87.93 162.41 16.91 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.571 1.17 . . . . 0.0 110.316 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . 0.422 ' N ' ' HG3' ' A' ' 71' ' ' GLU . 0.4 OUTLIER -69.95 137.81 51.8 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.443 1.089 . . . . 0.0 109.267 179.972 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.06 156.74 20.61 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.559 1.162 . . . . 0.0 109.324 179.89 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -50.45 162.09 0.26 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.479 1.112 . . . . 0.0 109.269 179.945 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 78.84 -51.66 3.82 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.531 1.144 . . . . 0.0 111.023 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -68.91 -50.93 45.26 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.519 0.776 . . . . 0.0 109.267 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' PHE . . . . . 0.431 ' CE2' ' HB2' ' A' ' 34' ' ' SER . 12.0 t80 -58.18 -26.44 62.76 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.495 1.122 . . . . 0.0 110.97 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 7.9 mt-30 -70.11 -43.66 70.58 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.523 1.139 . . . . 0.0 110.231 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.57 -26.98 62.84 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.497 1.123 . . . . 0.0 109.299 -179.934 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' TRP . . . . . 0.566 ' CZ3' ' HB3' ' A' ' 34' ' ' SER . 7.5 t90 -73.98 -43.44 58.13 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.506 1.129 . . . . 0.0 107.99 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' TYR . . . . . 0.475 ' CE2' ' HB3' ' A' ' 12' ' ' ALA . 0.9 OUTLIER -67.57 -27.99 67.4 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.487 1.117 . . . . 0.0 111.003 179.975 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -65.15 -12.71 53.97 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.375 1.047 . . . . 0.0 109.316 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -123.79 24.36 6.42 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.458 1.099 . . . . 0.0 111.012 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.451 HD11 ' CD1' ' A' ' 80' ' ' TRP . 67.9 mt -123.41 118.19 26.9 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.547 0.792 . . . . 0.0 109.407 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER 49.8 -175.83 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.566 1.166 . . . . 0.0 109.256 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' TYR . . . . . 0.411 ' C ' ' H ' ' A' ' 88' ' ' LYS . 85.6 m-85 -83.68 158.76 62.19 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.465 1.103 . . . . 0.0 110.977 -179.931 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.92 44.71 1.2 Allowed 'Trans proline' 0 C--N 1.358 1.076 0 O-C-N 124.555 1.818 . . . . 0.0 110.985 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . 0.411 ' H ' ' C ' ' A' ' 86' ' ' TYR . 0.0 OUTLIER -127.45 -0.05 6.27 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.472 1.108 . . . . 0.0 109.258 179.994 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 0.812 HD12 ' HD2' ' A' ' 90' ' ' PRO . 1.3 tp -95.15 132.84 27.16 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.573 1.17 . . . . 0.0 109.333 179.936 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' PRO . . . . . 0.812 ' HD2' HD12 ' A' ' 89' ' ' LEU . 18.2 Cg_endo -75.1 128.86 11.73 Favored 'Trans proline' 0 C--N 1.361 1.205 0 O-C-N 124.484 1.781 . . . . 0.0 110.997 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 98.4 t -150.45 119.4 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.537 1.148 . . . . 0.0 109.335 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 52.4 t -105.97 129.33 59.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.511 1.132 . . . . 0.0 109.361 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . 0.409 ' HA ' ' O ' ' A' ' 64' ' ' ALA . 1.7 p -108.97 112.14 24.18 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.49 1.119 . . . . 0.0 110.425 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . 0.476 ' OD2' HD12 ' A' ' 99' ' ' ILE . 62.6 t0 -114.69 110.76 20.24 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.532 1.145 . . . . 0.0 109.318 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 38.8 t-20 -59.0 116.25 3.68 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.543 1.152 . . . . 0.0 109.308 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 87.91 -21.16 24.82 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.461 1.101 . . . . 0.0 110.99 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 66.87 68.04 1.79 Allowed Glycine 0 CA--C 1.531 1.032 0 N-CA-C 111.027 -0.829 . . . . 0.0 111.027 179.909 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 98' ' ' THR . . . . . 0.501 ' O ' ' CB ' ' A' ' 102' ' ' SER . 1.5 m -61.45 -32.71 72.7 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.604 0.826 . . . . 0.0 110.437 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 99' ' ' ILE . . . . . 0.476 HD12 ' OD2' ' A' ' 94' ' ' ASP . 2.9 mt -78.54 -35.75 19.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 O-C-N 124.45 1.094 . . . . 0.0 109.318 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -70.39 -51.95 26.0 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.532 1.145 . . . . 0.0 109.309 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 11.0 pt20 -68.23 -28.31 67.12 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.437 1.085 . . . . 0.0 110.267 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . 0.501 ' CB ' ' O ' ' A' ' 98' ' ' THR . 2.1 t -60.8 -39.61 89.56 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.503 1.127 . . . . 0.0 109.998 179.919 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . 0.687 HD13 HD12 ' A' ' 123' ' ' ILE . 11.1 mt -101.48 6.52 42.42 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.527 1.142 . . . . 0.0 109.299 -179.919 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 24.5 t-20 59.86 58.51 2.76 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.449 1.093 . . . . 0.0 109.338 -179.928 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 105' ' ' ILE . . . . . 0.468 ' CD1' ' CB ' ' A' ' 103' ' ' LEU . 1.7 mp -89.45 114.52 27.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.531 1.144 . . . . 0.0 109.273 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 51.8 p -138.86 25.29 2.55 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.488 1.117 . . . . 0.0 109.915 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 1.4 p -146.16 132.66 14.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 O-C-N 124.589 1.18 . . . . 0.0 109.314 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 108' ' ' TYR . . . . . 0.541 ' HA ' ' C ' ' A' ' 109' ' ' PRO . 13.8 m-30 -129.2 153.11 80.38 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.409 1.068 . . . . 0.0 111.02 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 109' ' ' PRO . . . . . 0.541 ' C ' ' HA ' ' A' ' 108' ' ' TYR . 18.1 Cg_endo -75.02 170.01 73.01 Favored 'Cis proline' 0 C--N 1.36 1.169 0 C-N-CA 120.948 -2.522 . . . . 0.0 110.957 0.004 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 110' ' ' SER . . . . . 0.416 ' O ' ' HA ' ' A' ' 30' ' ' LYS . 0.1 OUTLIER -136.84 162.7 32.5 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.507 1.13 . . . . 0.0 110.051 179.984 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 111' ' ' TRP . . . . . 0.539 ' CE3' ' HB2' ' A' ' 30' ' ' LYS . 78.4 m95 -142.5 142.77 32.31 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.537 1.148 . . . . 0.0 107.903 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 112' ' ' ALA . . . . . 0.415 ' HB3' ' HB ' ' A' ' 29' ' ' ILE . . . -135.94 135.22 39.45 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.492 1.12 . . . . 0.0 109.313 179.923 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 34.8 tp -108.5 133.41 52.69 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.459 1.1 . . . . 0.0 109.369 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 114' ' ' ILE . . . . . 0.459 ' CG2' ' HA2' ' A' ' 118' ' ' GLY . 22.2 mm -120.22 115.44 47.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 O-C-N 124.518 1.136 . . . . 0.0 109.315 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -44.88 170.52 0.01 OUTLIER Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.531 1.144 . . . . 0.0 110.98 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 1.7 ptmt -70.18 -11.14 60.69 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.422 0.719 . . . . 0.0 109.331 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -90.73 -24.27 20.45 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.511 1.132 . . . . 0.0 109.34 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 118' ' ' GLY . . . . . 0.459 ' HA2' ' CG2' ' A' ' 114' ' ' ILE . . . 104.54 20.51 10.09 Favored Glycine 0 CA--C 1.532 1.094 0 O-C-N 124.408 1.068 . . . . 0.0 110.944 179.923 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 2.3 p-10 -108.11 149.24 28.74 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.596 0.821 . . . . 0.0 109.315 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 73.9 t -54.14 111.5 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.53 1.144 . . . . 0.0 109.345 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 1.2 tp-100 -89.35 -55.04 3.82 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.483 1.114 . . . . 0.0 110.225 -179.908 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 1.8 ttm180 -154.29 153.53 31.84 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.486 1.117 . . . . 0.0 110.255 -179.936 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 123' ' ' ILE . . . . . 0.687 HD12 HD13 ' A' ' 103' ' ' LEU . 11.8 tt -122.62 134.78 64.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.425 1.078 . . . . 0.0 109.275 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 53.9 t -125.81 135.87 62.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.523 1.14 . . . . 0.0 109.295 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -118.58 117.63 29.51 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.493 1.121 . . . . 0.0 109.314 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . 129.92 -147.6 18.11 Favored Glycine 0 CA--C 1.529 0.921 0 O-C-N 124.495 1.122 . . . . 0.0 110.987 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 1.2 m -124.23 141.51 52.0 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.465 0.744 . . . . 0.0 110.011 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 128' ' ' ILE . . . . . 0.404 ' HA ' ' OE1' ' A' ' 132' ' ' GLN . 14.5 pt -116.41 165.48 11.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.477 1.111 . . . . 0.0 109.337 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 129' ' ' ASN . . . . . 0.805 ' ND2' ' HB3' ' A' ' 131' ' ' ALA . 2.3 p-10 -106.97 171.02 7.6 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.462 1.101 . . . . 0.0 109.286 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -59.58 -34.39 72.65 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.421 1.076 . . . . 0.0 110.351 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 131' ' ' ALA . . . . . 0.805 ' HB3' ' ND2' ' A' ' 129' ' ' ASN . . . -64.27 -51.75 62.0 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.435 1.084 . . . . 0.0 109.277 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 132' ' ' GLN . . . . . 0.452 ' O ' ' HB3' ' A' ' 135' ' ' ALA . 38.3 mt-30 -50.86 -45.98 60.06 Favored 'General case' 0 C--N 1.327 -0.397 0 O-C-N 124.501 1.125 . . . . 0.0 110.264 -179.885 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -52.35 -50.05 63.11 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.455 1.097 . . . . 0.0 109.296 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 19.1 mt -53.45 -40.92 65.6 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.576 1.172 . . . . 0.0 109.312 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 135' ' ' ALA . . . . . 0.452 ' HB3' ' O ' ' A' ' 132' ' ' GLN . . . -60.35 -36.47 78.08 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.534 1.146 . . . . 0.0 109.304 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 19.6 mt -63.17 -49.47 74.19 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.506 1.129 . . . . 0.0 109.235 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 137' ' ' ILE . . . . . . . . . . . . . 5.0 mt -67.78 -22.29 28.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.461 1.1 . . . . 0.0 109.244 -179.933 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -82.21 -47.55 12.33 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.523 1.14 . . . . 0.0 110.247 -179.88 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 15.5 t0 -158.5 127.51 3.08 Favored Pre-proline 0 C--N 1.327 -0.407 0 O-C-N 124.469 1.106 . . . . 0.0 109.239 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 -10.05 21.12 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.484 1.781 . . . . 0.0 111.078 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 141' ' ' ASN . . . . . . . . . . . . . 85.8 m-20 -82.53 -25.08 33.72 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.485 1.116 . . . . 0.0 109.314 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -52.19 151.55 3.8 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.503 1.127 . . . . 0.0 109.297 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 143' ' ' ASP . . . . . . . . . . . . . 19.1 t70 68.28 151.28 0.08 Allowed 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.479 1.112 . . . . 0.0 109.291 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.325 -0.465 0 O-C-N 124.423 1.077 . . . . 0.0 109.268 179.917 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.332 0 CA-C-O 120.445 0.164 . . . . 0.0 111.042 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . 0.866 HG12 ' CB ' ' A' ' 5' ' ' THR . 2.7 t 43.48 64.46 6.68 Favored Pre-proline 0 C--N 1.324 -0.522 0 O-C-N 124.532 1.145 . . . . 0.0 109.323 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . 0.418 ' HD3' ' N ' ' A' ' 2' ' ' VAL . 18.1 Cg_endo -75.04 -45.51 0.28 Allowed 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.527 1.804 . . . . 0.0 110.997 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -52.86 -29.23 26.93 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.51 1.131 . . . . 0.0 109.63 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.866 ' CB ' HG12 ' A' ' 2' ' ' VAL . 22.8 m -74.87 -48.98 22.06 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.492 1.12 . . . . 0.0 110.423 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.41 ' HA ' HD23 ' A' ' 9' ' ' LEU . 13.3 mt -67.96 -32.84 73.54 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.447 1.092 . . . . 0.0 109.284 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -61.16 -23.55 65.64 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.594 1.184 . . . . 0.0 109.866 -179.918 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 97.6 m -71.75 -14.34 61.98 Favored 'General case' 0 C--N 1.323 -0.563 0 O-C-N 124.511 1.132 . . . . 0.0 110.371 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.655 ' O ' ' HB2' ' A' ' 17' ' ' ALA . 0.5 OUTLIER -83.8 91.95 7.64 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.505 1.128 . . . . 0.0 109.286 179.955 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 3.9 mmtp -90.72 147.9 22.94 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.465 1.103 . . . . 0.0 109.297 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . 0.561 HG22 HG22 ' A' ' 92' ' ' VAL . 16.0 p -82.87 170.77 14.62 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.466 1.104 . . . . 0.0 110.406 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . 0.486 ' HB3' ' CE2' ' A' ' 81' ' ' TYR . . . -62.65 -15.42 51.92 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.559 1.162 . . . . 0.0 109.309 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -87.8 10.46 18.37 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.382 1.051 . . . . 0.0 109.281 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 60.32 37.02 20.5 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.471 1.107 . . . . 0.0 109.33 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 3.7 mtm-85 -116.08 149.44 43.41 Favored Pre-proline 0 C--N 1.324 -0.543 0 O-C-N 124.573 1.171 . . . . 0.0 110.325 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 133.82 17.12 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.439 1.757 . . . . 0.0 111.038 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.655 ' HB2' ' O ' ' A' ' 9' ' ' LEU . . . -53.8 -29.3 39.89 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.498 1.124 . . . . 0.0 109.318 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 1.8 t -51.21 -32.61 24.43 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.546 1.154 . . . . 0.0 110.035 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 85.7 t -54.23 -34.79 28.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.47 1.106 . . . . 0.0 109.263 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 27.5 m-85 -117.19 20.01 13.91 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.541 1.151 . . . . 0.0 110.979 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -113.51 121.58 44.69 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.479 1.112 . . . . 0.0 109.263 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 2.9 mmtt -117.28 129.74 56.1 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.478 1.111 . . . . 0.0 109.267 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.96 17.79 2.28 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.514 1.134 . . . . 0.0 109.284 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 2.2 p30 -144.45 18.18 1.69 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.529 1.143 . . . . 0.0 109.297 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.421 ' NZ ' ' O ' ' A' ' 57' ' ' SER . 2.1 mmtp -146.66 154.45 48.16 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.498 1.124 . . . . 0.0 109.335 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.94 145.85 32.18 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.498 1.788 . . . . 0.0 111.044 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 84.9 m -122.7 122.24 38.29 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.491 1.119 . . . . 0.0 110.427 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.568 HD12 ' HA ' ' A' ' 113' ' ' LEU . 2.8 tp -106.98 131.45 54.03 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.482 1.114 . . . . 0.0 109.275 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.772 ' HB ' ' HB3' ' A' ' 112' ' ' ALA . 2.2 mt -115.29 147.28 18.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.535 1.147 . . . . 0.0 109.31 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.504 ' HD2' ' CE2' ' A' ' 111' ' ' TRP . 14.4 tttt -138.02 114.93 10.75 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.518 1.136 . . . . 0.0 109.37 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . 0.573 ' HB3' ' CE1' ' A' ' 108' ' ' TYR . 51.0 m-85 -86.76 123.18 31.63 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.491 1.119 . . . . 0.0 111.074 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' TRP . . . . . 0.931 ' CZ3' HD11 ' A' ' 43' ' ' LEU . 3.3 p-90 -123.17 168.62 12.17 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.512 1.132 . . . . 0.0 108.01 -179.94 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . 0.788 ' HB1' ' CE2' ' A' ' 35' ' ' TRP . . . -133.5 124.01 26.22 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.466 1.104 . . . . 0.0 109.299 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . 0.561 ' OG ' ' CE3' ' A' ' 80' ' ' TRP . 0.3 OUTLIER -56.45 -21.28 24.45 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.417 1.073 . . . . 0.0 109.986 179.997 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' TRP . . . . . 0.788 ' CE2' ' HB1' ' A' ' 33' ' ' ALA . 16.2 p-90 -85.61 -21.19 28.58 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 107.988 -1.115 . . . . 0.0 107.988 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . 0.401 ' N ' ' O ' ' A' ' 33' ' ' ALA . 44.9 t -81.63 114.42 49.82 Favored Pre-proline 0 C--N 1.324 -0.514 0 O-C-N 124.551 1.157 . . . . 0.0 108.273 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.04 -41.62 0.62 Allowed 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.501 1.79 . . . . 0.0 111.027 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 1.8 tm? -59.27 -28.22 66.53 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.554 1.159 . . . . 0.0 109.302 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . 0.404 ' O ' ' N ' ' A' ' 43' ' ' LEU . 19.2 m -77.11 -53.04 8.27 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.576 1.173 . . . . 0.0 108.358 179.929 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.598 HD23 HD12 ' A' ' 43' ' ' LEU . 4.8 mt -51.38 -43.1 61.79 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.502 1.127 . . . . 0.0 109.266 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 5.3 p -69.27 -25.72 64.4 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.479 1.112 . . . . 0.0 109.997 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . 0.401 ' HG2' ' NZ ' ' A' ' 30' ' ' LYS . 1.8 tp10 -86.22 -20.81 27.96 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.521 1.138 . . . . 0.0 110.343 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.931 HD11 ' CZ3' ' A' ' 32' ' ' TRP . 60.2 mt -51.95 -54.82 25.11 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.544 1.153 . . . . 0.0 109.292 -179.929 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -48.88 -49.97 27.69 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.595 1.184 . . . . 0.0 110.982 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -57.28 -35.78 70.2 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.511 0.771 . . . . 0.0 110.348 179.917 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 86.7 m -70.16 -39.44 75.32 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.476 1.11 . . . . 0.0 110.425 179.934 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . 0.487 ' OE1' HD12 ' A' ' 89' ' ' LEU . 4.4 tt0 -53.81 -42.18 68.11 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.506 1.128 . . . . 0.0 110.326 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -71.88 -36.63 70.12 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.567 1.167 . . . . 0.0 109.286 179.915 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' TRP . . . . . . . . . . . . . 39.2 m0 -64.49 -34.71 78.84 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 107.998 -1.112 . . . . 0.0 107.998 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -70.14 -8.74 52.12 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.555 1.159 . . . . 0.0 109.32 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 59.4 mt-30 -111.57 -12.2 13.96 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.449 1.093 . . . . 0.0 110.322 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . 0.454 ' HB3' ' CD2' ' A' ' 55' ' ' PHE . 34.5 t0 -63.2 120.55 11.72 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.502 1.126 . . . . 0.0 109.262 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -56.05 -43.49 77.95 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.405 1.066 . . . . 0.0 109.285 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.99 -46.64 71.79 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.527 1.142 . . . . 0.0 109.351 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . 0.454 ' CD2' ' HB3' ' A' ' 52' ' ' ASP . 16.1 m-30 -77.64 -28.97 51.49 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.518 1.136 . . . . 0.0 111.002 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . 0.433 ' O ' ' N ' ' A' ' 58' ' ' ALA . 69.1 m -46.73 -40.4 13.34 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.449 1.093 . . . . 0.0 109.945 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . 0.421 ' O ' ' NZ ' ' A' ' 25' ' ' LYS . 13.7 t -39.39 -29.69 0.05 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.568 1.167 . . . . 0.0 110.04 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . 0.433 ' N ' ' O ' ' A' ' 56' ' ' SER . . . -123.92 166.16 16.15 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.555 1.159 . . . . 0.0 109.304 -179.95 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 28.6 m-20 -88.36 128.64 35.51 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.421 1.075 . . . . 0.0 109.322 179.925 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.768 HD23 ' N ' ' A' ' 61' ' ' ILE . 3.0 tt -120.84 125.06 46.56 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.558 1.161 . . . . 0.0 109.301 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.768 ' N ' HD23 ' A' ' 60' ' ' LEU . 2.9 pt -154.92 162.42 1.86 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.468 1.105 . . . . 0.0 109.348 179.89 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . 0.498 ' HB ' ' CD1' ' A' ' 32' ' ' TRP . 35.1 p -111.07 155.12 23.27 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.514 1.134 . . . . 0.0 110.356 -179.865 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . 0.461 HG23 HG23 ' A' ' 29' ' ' ILE . 2.2 t -121.53 143.71 33.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.572 1.17 . . . . 0.0 109.236 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . 0.613 ' CB ' ' CZ ' ' A' ' 77' ' ' PHE . . . -134.68 137.3 43.45 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.591 1.182 . . . . 0.0 109.265 179.949 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . 0.465 ' CB ' ' HB3' ' A' ' 68' ' ' PHE . 1.5 m -111.97 108.12 55.67 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.419 1.074 . . . . 0.0 110.013 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . 0.461 ' HA ' ' O ' ' A' ' 72' ' ' LYS . 18.3 Cg_endo -74.9 134.7 18.31 Favored 'Trans proline' 0 C--N 1.361 1.214 0 O-C-N 124.478 1.778 . . . . 0.0 111.047 179.942 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 66.55 8.15 44.58 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.585 1.178 . . . . 0.0 111.04 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . 0.672 ' CE2' HD23 ' A' ' 69' ' ' LEU . 75.1 t80 -126.01 130.32 50.96 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.472 0.748 . . . . 0.0 111.08 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.672 HD23 ' CE2' ' A' ' 68' ' ' PHE . 0.3 OUTLIER 76.79 23.84 0.99 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.53 1.144 . . . . 0.0 109.346 -179.907 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 31.6 m170 66.78 22.39 10.3 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.424 1.077 . . . . 0.0 109.588 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . 0.42 ' OE2' ' CD1' ' A' ' 35' ' ' TRP . 0.3 OUTLIER -86.13 149.7 24.94 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.548 1.155 . . . . 0.0 110.27 179.981 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . 0.461 ' O ' ' HA ' ' A' ' 66' ' ' PRO . 3.6 mmtt -38.89 154.72 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.501 1.126 . . . . 0.0 109.268 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -84.58 156.79 21.45 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.437 1.086 . . . . 0.0 109.363 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -49.11 143.98 5.38 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.529 1.143 . . . . 0.0 109.228 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 80.87 -50.7 4.18 Favored Glycine 0 CA--C 1.531 1.055 0 O-C-N 124.419 1.074 . . . . 0.0 111.031 179.924 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -69.24 -31.52 70.14 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.554 0.797 . . . . 0.0 109.212 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' PHE . . . . . 0.613 ' CZ ' ' CB ' ' A' ' 64' ' ' ALA . 17.4 t80 -77.52 -57.09 4.01 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.518 1.136 . . . . 0.0 111.051 179.926 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 18.2 pt20 -52.39 -25.97 11.26 Favored 'General case' 0 C--N 1.327 -0.404 0 O-C-N 124.564 1.165 . . . . 0.0 110.325 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 1.2 mttt -64.97 -47.72 76.59 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.428 1.08 . . . . 0.0 109.307 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' TRP . . . . . 0.561 ' CE3' ' OG ' ' A' ' 34' ' ' SER . 3.5 t90 -53.32 -55.92 20.83 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 107.997 -1.112 . . . . 0.0 107.997 179.951 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' TYR . . . . . 0.486 ' CE2' ' HB3' ' A' ' 12' ' ' ALA . 19.1 t80 -52.71 -28.83 23.69 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.482 1.114 . . . . 0.0 110.951 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -81.57 6.81 13.82 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.503 1.127 . . . . 0.0 109.316 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . 0.423 ' N ' ' O ' ' A' ' 80' ' ' TRP . . . -112.9 -12.86 11.8 Favored Glycine 0 CA--C 1.531 1.09 0 O-C-N 124.507 1.129 . . . . 0.0 111.008 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.552 HD11 ' NE1' ' A' ' 80' ' ' TRP . 11.0 mp -83.77 161.97 20.8 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.53 0.783 . . . . 0.0 109.285 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 43.3 m-80 -89.24 178.98 6.21 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.491 1.119 . . . . 0.0 109.315 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' TYR . . . . . 0.412 ' C ' ' H ' ' A' ' 88' ' ' LYS . 42.8 m-85 54.27 83.93 0.22 Allowed Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.518 1.136 . . . . 0.0 111.016 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 18.8 Cg_endo -74.91 45.16 1.27 Allowed 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.405 1.74 . . . . 0.0 111.038 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . 0.412 ' H ' ' C ' ' A' ' 86' ' ' TYR . 28.5 mmtt -124.98 -2.73 7.7 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.557 1.161 . . . . 0.0 109.344 179.936 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 0.679 HD23 ' HD2' ' A' ' 90' ' ' PRO . 0.4 OUTLIER -76.72 119.64 78.27 Favored Pre-proline 0 C--N 1.324 -0.522 0 O-C-N 124.501 1.126 . . . . 0.0 109.303 -180.0 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' PRO . . . . . 0.679 ' HD2' HD23 ' A' ' 89' ' ' LEU . 18.7 Cg_endo -75.0 128.55 11.57 Favored 'Trans proline' 0 C--N 1.359 1.109 0 O-C-N 124.541 1.811 . . . . 0.0 111.012 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 55.5 t -143.93 126.94 12.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.528 1.142 . . . . 0.0 109.285 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . 0.561 HG22 HG22 ' A' ' 11' ' ' THR . 78.0 t -115.78 140.97 35.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.561 1.163 . . . . 0.0 109.304 179.917 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 3.1 p -120.45 115.87 24.34 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.437 1.086 . . . . 0.0 110.336 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . 0.446 ' HB2' ' CD1' ' A' ' 9' ' ' LEU . 68.1 t0 -114.66 110.33 19.59 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.444 1.09 . . . . 0.0 109.349 179.887 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 14.5 t-20 -59.57 112.49 1.81 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.577 1.173 . . . . 0.0 109.236 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 88.65 -29.17 5.92 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.477 1.111 . . . . 0.0 110.977 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 76.37 71.41 1.18 Allowed Glycine 0 CA--C 1.529 0.934 0 N-CA-C 111.006 -0.838 . . . . 0.0 111.006 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 2.0 m -57.76 -40.16 79.11 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.48 0.753 . . . . 0.0 110.453 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 3.8 mt -81.42 -38.28 16.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.497 1.123 . . . . 0.0 109.297 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . 0.68 ' HA ' HD12 ' A' ' 105' ' ' ILE . . . -63.57 -44.98 92.49 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.578 1.174 . . . . 0.0 109.319 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 7.6 pt20 -73.89 -35.63 64.71 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.483 1.114 . . . . 0.0 110.356 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 1.1 m -61.35 -34.54 75.46 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.467 1.104 . . . . 0.0 109.93 -179.899 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 73.2 mt -99.96 12.33 37.08 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.471 1.107 . . . . 0.0 109.298 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 14.8 t-20 46.84 52.9 10.97 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.424 1.078 . . . . 0.0 109.307 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 105' ' ' ILE . . . . . 0.68 HD12 ' HA ' ' A' ' 100' ' ' ALA . 64.5 mt -88.62 129.44 39.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 O-C-N 124.582 1.176 . . . . 0.0 109.302 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . 0.629 ' HA ' HD21 ' A' ' 69' ' ' LEU . 24.5 p -157.19 33.3 0.29 Allowed 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.494 1.122 . . . . 0.0 109.969 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 2.5 p -148.14 132.66 9.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.485 1.115 . . . . 0.0 109.257 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 108' ' ' TYR . . . . . 0.573 ' CE1' ' HB3' ' A' ' 31' ' ' PHE . 21.4 m-85 -130.88 152.46 80.65 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.513 1.133 . . . . 0.0 111.047 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 109' ' ' PRO . . . . . 0.531 ' C ' ' HA ' ' A' ' 108' ' ' TYR . 18.3 Cg_endo -75.12 159.2 98.23 Favored 'Cis proline' 0 C--N 1.36 1.14 0 C-N-CA 120.928 -2.53 . . . . 0.0 111.015 0.105 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 110' ' ' SER . . . . . 0.408 ' O ' ' HA ' ' A' ' 30' ' ' LYS . 0.4 OUTLIER -134.17 157.57 45.89 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.434 1.084 . . . . 0.0 109.966 -179.887 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 111' ' ' TRP . . . . . 0.504 ' CE2' ' HD2' ' A' ' 30' ' ' LYS . 67.0 m95 -131.18 141.04 50.02 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 107.976 -1.12 . . . . 0.0 107.976 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 112' ' ' ALA . . . . . 0.772 ' HB3' ' HB ' ' A' ' 29' ' ' ILE . . . -130.14 131.7 45.78 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.487 1.117 . . . . 0.0 109.263 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 113' ' ' LEU . . . . . 0.568 ' HA ' HD12 ' A' ' 28' ' ' LEU . 11.3 tp -108.43 132.92 53.29 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.463 1.102 . . . . 0.0 109.312 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 114' ' ' ILE . . . . . 0.728 HD13 ' HA ' ' A' ' 120' ' ' VAL . 43.8 mm -121.05 111.54 32.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.454 1.096 . . . . 0.0 109.325 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 115' ' ' GLY . . . . . 0.439 ' CA ' ' HG3' ' A' ' 121' ' ' GLN . . . -41.66 164.38 0.02 OUTLIER Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.567 1.167 . . . . 0.0 111.073 179.936 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.98 -12.2 47.44 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.53 0.782 . . . . 0.0 109.247 -179.932 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -81.64 -23.97 36.63 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.5 1.125 . . . . 0.0 109.298 -179.95 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . 99.29 34.95 4.9 Favored Glycine 0 CA--C 1.529 0.938 0 O-C-N 124.558 1.161 . . . . 0.0 111.013 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 1.6 p-10 -131.27 158.49 40.47 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.46 0.741 . . . . 0.0 109.3 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 120' ' ' VAL . . . . . 0.728 ' HA ' HD13 ' A' ' 114' ' ' ILE . 90.9 t -57.99 120.07 3.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.468 1.105 . . . . 0.0 109.287 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 121' ' ' GLN . . . . . 0.535 ' HB3' HD23 ' A' ' 113' ' ' LEU . 0.0 OUTLIER -100.58 -59.88 1.62 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.497 1.123 . . . . 0.0 110.284 -179.973 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -150.53 138.71 20.25 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.523 1.139 . . . . 0.0 110.392 179.926 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 123' ' ' ILE . . . . . 0.494 HD11 HG12 ' A' ' 105' ' ' ILE . 16.5 tt -111.64 127.66 68.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.55 1.156 . . . . 0.0 109.314 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 74.8 t -113.33 137.39 46.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.457 1.098 . . . . 0.0 109.267 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 12.5 pttt -105.97 134.74 48.61 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.505 1.128 . . . . 0.0 109.311 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . 104.5 -147.71 16.51 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.509 1.13 . . . . 0.0 110.988 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -123.15 155.93 36.04 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.444 0.732 . . . . 0.0 109.942 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 128' ' ' ILE . . . . . . . . . . . . . 15.1 pt -126.84 166.62 23.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 O-C-N 124.48 1.112 . . . . 0.0 109.284 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 129' ' ' ASN . . . . . . . . . . . . . 3.3 p30 -108.58 169.32 8.72 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.488 1.117 . . . . 0.0 109.323 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -51.17 -45.73 61.85 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.469 1.105 . . . . 0.0 110.375 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -50.79 -53.99 27.28 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.463 1.102 . . . . 0.0 109.306 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 8.2 mt-30 -50.93 -48.44 60.75 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.507 1.13 . . . . 0.0 110.259 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -49.8 -46.79 51.26 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.599 1.187 . . . . 0.0 109.299 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 42.8 mt -55.6 -46.39 77.33 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.48 1.113 . . . . 0.0 109.292 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -56.27 -41.96 76.65 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.487 1.117 . . . . 0.0 109.25 -179.942 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 30.6 mt -58.5 -57.34 13.4 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.566 1.167 . . . . 0.0 109.377 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 137' ' ' ILE . . . . . . . . . . . . . 1.5 mp -61.8 -19.21 20.8 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 O-C-N 124.546 1.154 . . . . 0.0 109.285 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -79.77 -47.49 15.15 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.552 1.157 . . . . 0.0 110.3 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 139' ' ' ASP . . . . . 0.423 ' OD1' ' ND2' ' A' ' 141' ' ' ASN . 32.5 t0 -171.57 128.81 0.67 Allowed Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.524 1.14 . . . . 0.0 109.32 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 140' ' ' PRO . . . . . 0.55 ' HB3' HD21 ' A' ' 113' ' ' LEU . 18.1 Cg_endo -75.04 -4.65 15.7 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.498 1.789 . . . . 0.0 110.986 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 141' ' ' ASN . . . . . 0.423 ' ND2' ' OD1' ' A' ' 139' ' ' ASP . 81.9 m-20 -87.09 -24.46 24.56 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.531 1.144 . . . . 0.0 109.261 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -48.42 142.76 5.4 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.526 1.141 . . . . 0.0 109.289 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 143' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 70.94 111.85 0.06 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.432 1.082 . . . . 0.0 109.227 179.942 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 11.8 mt . . . . . 0 C--N 1.325 -0.467 0 O-C-N 124.499 1.124 . . . . 0.0 109.304 179.943 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.457 ' C ' HG23 ' A' ' 2' ' ' VAL . 21.8 mtt . . . . . 0 N--CA 1.452 -0.343 0 CA-C-O 120.502 0.191 . . . . 0.0 110.96 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . 0.861 HG13 ' CG2' ' A' ' 5' ' ' THR . 82.0 t -154.94 60.06 2.54 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.49 1.119 . . . . 0.0 109.274 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . 0.506 ' HD3' ' N ' ' A' ' 2' ' ' VAL . 18.3 Cg_endo -75.04 -90.19 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.469 1.773 . . . . 0.0 111.011 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . 0.423 ' O ' ' N ' ' A' ' 8' ' ' THR . 9.6 p-80 -52.3 -30.91 30.5 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.449 1.093 . . . . 0.0 109.646 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.861 ' CG2' HG13 ' A' ' 2' ' ' VAL . 1.3 m -57.49 -55.24 37.41 Favored 'General case' 0 C--N 1.323 -0.563 0 O-C-N 124.51 1.131 . . . . 0.0 110.361 179.928 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.452 HD11 HD22 ' A' ' 21' ' ' LEU . 0.2 OUTLIER -70.87 -40.69 72.13 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.442 1.089 . . . . 0.0 109.347 -179.989 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 2.9 m -64.57 -22.05 66.86 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.35 1.031 . . . . 0.0 109.965 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . 0.456 ' O ' ' N ' ' A' ' 10' ' ' LYS . 1.3 m -73.56 -27.88 61.57 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.534 1.146 . . . . 0.0 110.436 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.865 ' O ' ' HB2' ' A' ' 17' ' ' ALA . 4.6 mm? -63.12 79.71 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.522 1.139 . . . . 0.0 109.294 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.456 ' N ' ' O ' ' A' ' 8' ' ' THR . 2.1 mttp -81.46 145.32 30.81 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.517 1.136 . . . . 0.0 109.377 179.948 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 25.4 p -79.18 170.98 15.84 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.482 1.114 . . . . 0.0 110.455 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -63.45 -12.28 30.21 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.516 1.135 . . . . 0.0 109.361 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . 0.439 ' OD1' ' N ' ' A' ' 13' ' ' ASP . 0.0 OUTLIER -98.64 26.34 5.68 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.544 1.153 . . . . 0.0 109.297 179.996 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 49.32 35.5 7.87 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.557 1.16 . . . . 0.0 109.238 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . 0.417 ' O ' ' HA ' ' A' ' 10' ' ' LYS . 0.0 OUTLIER -109.73 147.82 36.92 Favored Pre-proline 0 C--N 1.324 -0.517 0 O-C-N 124.542 1.151 . . . . 0.0 110.277 179.976 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . 0.465 ' HG2' HG23 ' A' ' 19' ' ' VAL . 18.4 Cg_endo -75.01 130.88 13.67 Favored 'Trans proline' 0 C--N 1.361 1.205 0 O-C-N 124.514 1.797 . . . . 0.0 111.007 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.865 ' HB2' ' O ' ' A' ' 9' ' ' LEU . . . -57.84 -30.91 66.15 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.505 1.128 . . . . 0.0 109.358 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 8.6 t -49.63 -31.49 10.93 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.479 1.112 . . . . 0.0 109.939 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.465 HG23 ' HG2' ' A' ' 16' ' ' PRO . 94.0 t -57.74 -27.42 30.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.455 1.097 . . . . 0.0 109.355 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 13.1 m-85 -103.94 22.17 15.06 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.485 1.116 . . . . 0.0 110.994 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.484 HD11 HG21 ' A' ' 27' ' ' THR . 2.4 mp -146.37 102.87 3.64 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.5 1.125 . . . . 0.0 109.332 179.939 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 9.3 ptmt -176.29 177.86 1.45 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.493 1.121 . . . . 0.0 109.285 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 69.23 24.63 5.92 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.506 1.129 . . . . 0.0 109.23 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 61.0 m-20 47.05 36.24 4.04 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.591 1.182 . . . . 0.0 109.304 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.412 ' HD2' ' CD ' ' A' ' 26' ' ' PRO . 7.2 mmtm -100.35 159.26 30.21 Favored Pre-proline 0 C--N 1.323 -0.556 0 O-C-N 124.522 1.139 . . . . 0.0 109.336 -179.911 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . 0.412 ' CD ' ' HD2' ' A' ' 25' ' ' LYS . 18.2 Cg_endo -74.94 154.34 42.75 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.54 1.81 . . . . 0.0 110.968 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . 0.484 HG21 HD11 ' A' ' 21' ' ' LEU . 91.4 m -128.56 135.18 49.02 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.486 1.116 . . . . 0.0 110.44 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 4.9 tp -113.73 134.94 54.45 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.447 1.092 . . . . 0.0 109.336 179.906 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.436 HG23 HG23 ' A' ' 63' ' ' VAL . 5.6 mm -115.14 146.74 19.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.517 1.136 . . . . 0.0 109.342 179.942 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.573 ' HB2' ' CE3' ' A' ' 111' ' ' TRP . 24.5 tttt -138.8 122.08 17.05 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.501 1.125 . . . . 0.0 109.328 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . 0.684 ' CZ ' ' CD1' ' A' ' 105' ' ' ILE . 49.0 m-85 -93.86 131.38 39.32 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.445 1.09 . . . . 0.0 110.979 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' TRP . . . . . 1.046 ' CZ3' HD11 ' A' ' 43' ' ' LEU . 12.7 p-90 -138.37 170.9 15.21 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.512 1.133 . . . . 0.0 107.991 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -134.06 153.61 51.69 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.434 1.084 . . . . 0.0 109.247 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . 0.514 ' O ' HD11 ' A' ' 40' ' ' LEU . 0.5 OUTLIER -78.21 -32.29 49.84 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.469 1.106 . . . . 0.0 110.028 -179.971 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 51.1 p-90 -78.48 -3.86 45.62 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 107.999 -1.111 . . . . 0.0 107.999 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . 0.592 ' O ' HD12 ' A' ' 40' ' ' LEU . 41.8 t -98.63 118.1 63.61 Favored Pre-proline 0 C--N 1.324 -0.527 0 O-C-N 124.56 1.163 . . . . 0.0 108.276 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.98 -54.29 0.09 OUTLIER 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.472 1.775 . . . . 0.0 111.008 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -47.68 -30.55 3.87 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.472 1.108 . . . . 0.0 109.312 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 1.3 m -74.59 -56.75 4.48 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.504 1.127 . . . . 0.0 108.398 179.877 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.592 HD12 ' O ' ' A' ' 36' ' ' CYS . 0.4 OUTLIER -51.04 -41.04 59.61 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.522 1.139 . . . . 0.0 109.356 179.935 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 3.4 m -72.36 -25.79 61.66 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.491 1.119 . . . . 0.0 110.009 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 13.0 tt0 -82.73 -19.23 38.35 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.502 1.126 . . . . 0.0 110.375 179.921 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 1.046 HD11 ' CZ3' ' A' ' 32' ' ' TRP . 13.5 mt -56.89 -54.86 41.71 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.393 1.058 . . . . 0.0 109.313 179.945 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -48.34 -50.75 22.81 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.425 1.078 . . . . 0.0 110.975 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . 0.472 ' HG2' ' CZ2' ' A' ' 49' ' ' TRP . 2.0 tp-100 -66.19 -32.3 73.65 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.484 0.756 . . . . 0.0 110.393 179.9 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 4.1 m -70.1 -28.94 65.81 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.553 1.158 . . . . 0.0 110.393 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 31.1 tt0 -73.99 -34.46 64.21 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.408 1.067 . . . . 0.0 110.284 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 26.1 tttt -78.18 -37.29 46.05 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.585 1.178 . . . . 0.0 109.313 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' TRP . . . . . 0.48 ' HB3' ' CE2' ' A' ' 55' ' ' PHE . 45.4 m0 -65.73 -34.31 77.9 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 107.94 -1.133 . . . . 0.0 107.94 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.813 ' HB2' HD22 ' A' ' 60' ' ' LEU . . . -74.23 -9.0 58.18 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.48 1.112 . . . . 0.0 109.348 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 9.7 mm100 -104.04 -14.7 15.83 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.493 1.121 . . . . 0.0 110.344 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 2.6 t0 -63.61 137.2 58.01 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.475 1.109 . . . . 0.0 109.336 179.919 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -60.23 -46.79 88.56 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.504 1.127 . . . . 0.0 109.277 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.29 -39.74 60.89 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.502 1.126 . . . . 0.0 109.275 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . 0.673 ' CZ ' ' CB ' ' A' ' 133' ' ' ALA . 1.2 m-85 -77.05 -28.52 54.77 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.427 1.079 . . . . 0.0 111.03 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . 0.409 ' O ' ' C ' ' A' ' 57' ' ' SER . 3.2 t -49.5 -40.25 36.87 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.486 1.116 . . . . 0.0 110.006 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . 0.409 ' C ' ' O ' ' A' ' 56' ' ' SER . 32.5 t -38.5 -58.46 1.03 Allowed 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.515 1.134 . . . . 0.0 110.051 179.93 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -101.92 165.74 11.02 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.442 1.088 . . . . 0.0 109.344 179.908 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 3.8 m-20 -88.98 124.75 34.55 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.497 1.123 . . . . 0.0 109.289 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.813 HD22 ' HB2' ' A' ' 50' ' ' ALA . 7.8 tt -112.91 125.89 54.87 Favored 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.471 1.107 . . . . 0.0 109.277 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.524 HD12 HG21 ' A' ' 92' ' ' VAL . 16.1 pt -151.83 160.83 3.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.486 1.116 . . . . 0.0 109.256 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 36.6 p -114.64 154.65 28.0 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.49 1.119 . . . . 0.0 110.345 -179.934 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . 0.436 HG23 HG23 ' A' ' 29' ' ' ILE . 2.4 t -123.97 145.68 30.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.406 1.067 . . . . 0.0 109.284 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . 0.466 ' N ' ' O ' ' A' ' 92' ' ' VAL . . . -134.3 149.53 50.91 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.525 1.141 . . . . 0.0 109.338 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . 0.475 ' CB ' ' HB3' ' A' ' 68' ' ' PHE . 9.1 m -121.81 108.97 34.42 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.45 1.094 . . . . 0.0 109.925 -179.929 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . 0.416 ' HD2' ' O ' ' A' ' 94' ' ' ASP . 18.2 Cg_endo -75.06 138.65 23.17 Favored 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.526 1.803 . . . . 0.0 110.989 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 62.83 12.46 42.19 Favored Glycine 0 CA--C 1.531 1.083 0 O-C-N 124.5 1.125 . . . . 0.0 111.034 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . 0.988 ' CE2' HD23 ' A' ' 69' ' ' LEU . 71.6 t80 -121.17 130.63 53.81 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.483 0.755 . . . . 0.0 110.992 -179.867 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.988 HD23 ' CE2' ' A' ' 68' ' ' PHE . 1.2 mm? 71.38 43.49 0.61 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.529 1.143 . . . . 0.0 109.294 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 1.9 t60 59.44 18.29 6.72 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.524 1.14 . . . . 0.0 109.569 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . 0.427 ' HA ' ' OE1' ' A' ' 71' ' ' GLU . 4.0 tp10 -84.2 149.99 25.78 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.537 1.148 . . . . 0.0 110.303 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . 0.412 ' N ' ' HG3' ' A' ' 71' ' ' GLU . 2.1 mttt -49.16 138.37 12.37 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.424 1.078 . . . . 0.0 109.289 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 15.6 mttp -64.59 165.72 9.7 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.469 1.106 . . . . 0.0 109.361 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -52.57 156.49 1.84 Allowed 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.545 1.153 . . . . 0.0 109.32 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . 0.412 ' CA ' ' HG3' ' A' ' 78' ' ' GLN . . . 77.3 -52.48 3.41 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.385 1.053 . . . . 0.0 110.932 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -57.37 -54.28 48.58 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.496 0.762 . . . . 0.0 109.288 -179.898 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 80.8 t80 -59.32 -28.83 67.16 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.534 1.146 . . . . 0.0 110.929 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' GLN . . . . . 0.412 ' HG3' ' CA ' ' A' ' 75' ' ' GLY . 5.5 mt-30 -69.22 -29.26 67.17 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.378 1.048 . . . . 0.0 110.238 -179.914 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . 0.441 ' O ' ' HB3' ' A' ' 82' ' ' ALA . 0.0 OUTLIER -71.57 -41.25 69.26 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.125 . . . . 0.0 109.142 -179.92 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' TRP . . . . . 0.521 ' HE1' HD21 ' A' ' 84' ' ' LEU . 3.4 t90 -55.55 -54.04 48.88 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 107.969 -1.123 . . . . 0.0 107.969 -179.908 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' TYR . . . . . 0.416 ' HA ' HD12 ' A' ' 84' ' ' LEU . 8.6 t80 -56.69 -33.64 66.64 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.436 1.085 . . . . 0.0 110.965 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . 0.441 ' HB3' ' O ' ' A' ' 79' ' ' LYS . . . -61.88 -15.26 41.16 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.574 1.171 . . . . 0.0 109.291 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -103.42 -20.11 11.46 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.401 1.063 . . . . 0.0 110.983 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.521 HD21 ' HE1' ' A' ' 80' ' ' TRP . 30.0 mt -78.69 114.76 17.89 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.545 0.791 . . . . 0.0 109.36 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' ASN . . . . . 0.476 ' O ' ' CD1' ' A' ' 86' ' ' TYR . 5.7 m120 -84.79 71.04 10.9 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.571 1.169 . . . . 0.0 109.356 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' TYR . . . . . 0.476 ' CD1' ' O ' ' A' ' 85' ' ' ASN . 27.9 m-85 -147.56 67.81 10.64 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.523 1.14 . . . . 0.0 111.022 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 0.06 9.34 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.558 1.82 . . . . 0.0 110.983 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 10.8 mmtm -104.03 11.79 34.9 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.574 1.171 . . . . 0.0 109.277 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 0.788 HD12 ' HD2' ' A' ' 90' ' ' PRO . 4.3 tp -116.45 124.07 29.91 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.52 1.137 . . . . 0.0 109.365 179.918 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' PRO . . . . . 0.788 ' HD2' HD12 ' A' ' 89' ' ' LEU . 18.4 Cg_endo -75.02 127.02 10.33 Favored 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.431 1.753 . . . . 0.0 111.032 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 15.5 t -140.54 118.92 10.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.509 1.13 . . . . 0.0 109.243 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . 0.524 HG21 HD12 ' A' ' 61' ' ' ILE . 43.9 t -107.91 143.26 18.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.473 1.108 . . . . 0.0 109.32 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 10.8 p -121.6 120.13 33.9 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.47 1.106 . . . . 0.0 110.33 -179.936 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . 0.525 ' HB2' HD11 ' A' ' 9' ' ' LEU . 50.2 t0 -115.15 109.97 18.82 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.515 1.134 . . . . 0.0 109.284 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 1.3 m120 -61.03 109.01 0.97 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.52 1.137 . . . . 0.0 109.271 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 88.93 -24.56 12.45 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.478 1.111 . . . . 0.0 111.049 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 72.29 77.48 0.55 Allowed Glycine 0 CA--C 1.529 0.952 0 N-CA-C 111.026 -0.83 . . . . 0.0 111.026 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 3.4 m -64.9 -43.74 91.88 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.456 0.739 . . . . 0.0 110.353 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 3.5 mt -76.63 -36.05 26.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.495 1.122 . . . . 0.0 109.308 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -62.14 -42.71 99.51 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.483 1.115 . . . . 0.0 109.328 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -80.54 -36.55 32.93 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.591 1.182 . . . . 0.0 110.268 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 47.7 t -65.98 -29.35 69.72 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.597 1.185 . . . . 0.0 109.993 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . 0.432 HD21 HG21 ' A' ' 120' ' ' VAL . 27.4 mt -92.12 -13.09 31.28 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.501 1.126 . . . . 0.0 109.35 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 13.4 t-20 68.74 40.71 1.73 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.538 1.149 . . . . 0.0 109.279 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 105' ' ' ILE . . . . . 0.699 HG22 ' H ' ' A' ' 107' ' ' VAL . 47.8 mt -74.76 -86.04 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.484 1.115 . . . . 0.0 109.306 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 66.1 p 53.77 23.47 3.78 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.5 1.125 . . . . 0.0 109.964 179.914 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 107' ' ' VAL . . . . . 0.699 ' H ' HG22 ' A' ' 105' ' ' ILE . 2.8 p -144.46 131.77 16.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.573 1.17 . . . . 0.0 109.285 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 108' ' ' TYR . . . . . 0.579 ' CE1' ' HB3' ' A' ' 31' ' ' PHE . 12.6 m-85 -131.83 152.52 80.47 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.43 1.081 . . . . 0.0 110.994 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 109' ' ' PRO . . . . . 0.523 ' C ' ' HA ' ' A' ' 108' ' ' TYR . 18.1 Cg_endo -75.05 170.06 72.87 Favored 'Cis proline' 0 C--N 1.36 1.156 0 C-N-CA 121.052 -2.478 . . . . 0.0 110.952 0.067 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 110' ' ' SER . . . . . 0.412 ' O ' ' HA ' ' A' ' 30' ' ' LYS . 8.0 m -155.28 149.4 25.79 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.491 1.119 . . . . 0.0 109.998 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 111' ' ' TRP . . . . . 0.573 ' CE3' ' HB2' ' A' ' 30' ' ' LYS . 64.6 m95 -128.49 137.46 51.8 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.532 1.145 . . . . 0.0 108.062 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -129.19 143.19 50.77 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.489 1.118 . . . . 0.0 109.368 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 113' ' ' LEU . . . . . 0.549 ' O ' HD13 ' A' ' 114' ' ' ILE . 21.5 tp -108.78 133.98 52.09 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.439 1.087 . . . . 0.0 109.251 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 114' ' ' ILE . . . . . 0.549 HD13 ' O ' ' A' ' 113' ' ' LEU . 5.4 mm -122.88 108.91 22.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 O-C-N 124.415 1.072 . . . . 0.0 109.333 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -47.81 173.53 0.03 OUTLIER Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.453 1.096 . . . . 0.0 111.01 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.16 -17.85 64.98 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.448 0.734 . . . . 0.0 109.27 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -75.38 -23.81 57.14 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.495 1.122 . . . . 0.0 109.257 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . 97.73 22.64 15.5 Favored Glycine 0 CA--C 1.531 1.068 0 O-C-N 124.463 1.102 . . . . 0.0 110.943 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 2.1 p30 -120.66 145.45 47.43 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.554 0.797 . . . . 0.0 109.27 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 120' ' ' VAL . . . . . 0.458 HG22 ' CD1' ' A' ' 114' ' ' ILE . 94.3 t -55.33 116.34 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 O-C-N 124.395 1.06 . . . . 0.0 109.356 179.942 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 121' ' ' GLN . . . . . 0.474 ' HG3' HD23 ' A' ' 113' ' ' LEU . 8.4 pt20 -101.89 -32.27 10.3 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.545 1.153 . . . . 0.0 110.365 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 21.7 ttt180 -149.2 141.7 24.33 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.547 1.155 . . . . 0.0 110.309 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 123' ' ' ILE . . . . . 0.416 HD12 HD13 ' A' ' 103' ' ' LEU . 3.4 tt -122.46 135.05 63.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.459 1.099 . . . . 0.0 109.294 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 37.1 t -128.47 138.55 54.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.548 1.155 . . . . 0.0 109.369 179.924 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 4.1 mtmp? -118.19 116.66 27.27 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.426 1.079 . . . . 0.0 109.323 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . 126.41 -155.7 19.55 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.558 1.161 . . . . 0.0 111.065 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -113.73 163.74 14.62 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.472 0.748 . . . . 0.0 110.035 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 128' ' ' ILE . . . . . 0.414 ' HA ' ' OE1' ' A' ' 132' ' ' GLN . 13.4 pt -143.63 167.22 13.19 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 O-C-N 124.551 1.157 . . . . 0.0 109.309 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 129' ' ' ASN . . . . . . . . . . . . . 3.7 p30 -108.46 168.22 9.48 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.504 1.127 . . . . 0.0 109.267 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 34.7 tt0 -57.2 -27.18 61.74 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.441 1.088 . . . . 0.0 110.284 -179.919 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -68.47 -51.67 40.91 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.543 1.152 . . . . 0.0 109.292 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 132' ' ' GLN . . . . . 0.42 ' O ' ' HB3' ' A' ' 135' ' ' ALA . 3.0 mt-30 -51.0 -45.68 61.23 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.576 1.173 . . . . 0.0 110.261 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 133' ' ' ALA . . . . . 0.673 ' CB ' ' CZ ' ' A' ' 55' ' ' PHE . . . -55.74 -50.29 70.79 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.578 1.174 . . . . 0.0 109.327 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 2.6 mt -48.97 -41.38 33.96 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.455 1.097 . . . . 0.0 109.358 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 135' ' ' ALA . . . . . 0.42 ' HB3' ' O ' ' A' ' 132' ' ' GLN . . . -61.73 -42.69 99.3 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.492 1.12 . . . . 0.0 109.311 179.923 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 27.8 mt -57.76 -55.22 37.72 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.427 1.08 . . . . 0.0 109.307 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 137' ' ' ILE . . . . . . . . . . . . . 3.3 mt -62.3 -18.52 20.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.53 1.144 . . . . 0.0 109.35 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -83.16 -47.55 11.48 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.442 1.089 . . . . 0.0 110.374 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 47.5 t0 -167.49 125.47 0.98 Allowed Pre-proline 0 C--N 1.326 -0.44 0 O-C-N 124.532 1.145 . . . . 0.0 109.232 179.933 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.01 -22.31 14.92 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.488 1.783 . . . . 0.0 111.002 179.929 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 141' ' ' ASN . . . . . . . . . . . . . 48.8 m-80 -70.9 -14.88 62.54 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.467 1.104 . . . . 0.0 109.324 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -56.04 108.17 0.43 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.473 1.108 . . . . 0.0 109.344 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 143' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER 62.51 101.85 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.472 1.108 . . . . 0.0 109.333 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 18.1 mt . . . . . 0 C--N 1.326 -0.423 0 O-C-N 124.403 1.064 . . . . 0.0 109.285 -179.966 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.701 ' O ' HG23 ' A' ' 2' ' ' VAL . 6.6 mtt . . . . . 0 N--CA 1.452 -0.374 0 CA-C-O 120.494 0.188 . . . . 0.0 111.06 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . 0.701 HG23 ' O ' ' A' ' 1' ' ' MET . 0.9 OUTLIER 163.08 -51.7 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.605 1.191 . . . . 0.0 109.284 -179.972 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . 0.515 ' CD ' ' N ' ' A' ' 2' ' ' VAL . 18.3 Cg_endo -74.99 -23.78 13.48 Favored 'Trans proline' 0 C--N 1.359 1.113 0 O-C-N 124.498 1.788 . . . . 0.0 111.013 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 10.1 t-80 -73.19 -36.85 66.62 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.493 1.12 . . . . 0.0 109.63 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 4.0 m -79.99 -42.76 23.26 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.549 1.156 . . . . 0.0 110.387 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.525 ' O ' ' HB3' ' A' ' 17' ' ' ALA . 0.4 OUTLIER -59.28 -39.34 82.64 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.427 1.079 . . . . 0.0 109.291 179.99 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 1.2 t -64.82 -22.93 67.09 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.596 1.185 . . . . 0.0 109.99 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 1.8 m -84.04 -17.64 39.7 Favored 'General case' 0 C--N 1.323 -0.555 0 O-C-N 124.588 1.18 . . . . 0.0 110.43 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.442 ' HA ' HD23 ' A' ' 9' ' ' LEU . 10.9 mt -84.88 165.6 17.55 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.555 1.16 . . . . 0.0 109.223 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -131.88 160.47 35.59 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.462 1.101 . . . . 0.0 109.337 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . 0.743 HG22 HG22 ' A' ' 92' ' ' VAL . 35.7 p -92.76 179.05 5.59 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.501 1.125 . . . . 0.0 110.358 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -64.17 -14.11 52.98 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.39 1.056 . . . . 0.0 109.306 179.925 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -97.17 15.17 23.44 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.561 1.163 . . . . 0.0 109.299 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 56.6 28.96 14.78 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.468 1.105 . . . . 0.0 109.304 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -101.88 157.78 33.03 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.416 1.073 . . . . 0.0 110.349 179.946 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 125.97 9.68 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.433 1.754 . . . . 0.0 111.02 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.525 ' HB3' ' O ' ' A' ' 6' ' ' LEU . . . -60.63 -34.9 74.94 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.539 1.15 . . . . 0.0 109.318 -179.95 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 8.5 t -50.73 -29.82 12.35 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.488 1.118 . . . . 0.0 110.041 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -61.73 -35.87 70.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.432 1.083 . . . . 0.0 109.322 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 20.8 m-85 -94.87 19.71 9.82 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.551 1.157 . . . . 0.0 111.055 179.93 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -119.28 120.27 36.5 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.391 1.057 . . . . 0.0 109.29 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . 0.405 ' O ' ' N ' ' A' ' 24' ' ' ASP . 0.0 OUTLIER -97.44 106.07 18.32 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.522 1.139 . . . . 0.0 109.358 179.924 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.22 56.45 0.15 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.517 1.136 . . . . 0.0 109.335 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . 0.405 ' N ' ' O ' ' A' ' 22' ' ' LYS . 0.5 OUTLIER 169.32 37.68 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.524 1.14 . . . . 0.0 109.269 -179.932 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -170.47 162.87 6.04 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.547 1.154 . . . . 0.0 109.28 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.91 142.92 28.75 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.465 1.771 . . . . 0.0 111.041 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 23.9 m -117.4 124.93 50.07 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.532 1.145 . . . . 0.0 110.334 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.572 HD12 ' O ' ' A' ' 112' ' ' ALA . 15.1 tp -107.97 128.15 54.39 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.443 1.089 . . . . 0.0 109.34 179.943 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.584 HD11 HG13 ' A' ' 114' ' ' ILE . 2.5 mt -107.62 150.41 10.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.529 1.143 . . . . 0.0 109.279 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.491 ' HD2' ' CZ2' ' A' ' 111' ' ' TRP . 2.7 tttp -138.79 110.67 7.2 Favored 'General case' 0 C--N 1.326 -0.415 0 O-C-N 124.484 1.115 . . . . 0.0 109.232 -179.94 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . 0.58 ' HB3' ' CE1' ' A' ' 108' ' ' TYR . 62.6 m-85 -83.47 126.52 32.86 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.566 1.166 . . . . 0.0 111.019 179.921 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' TRP . . . . . 0.531 ' CE2' HD11 ' A' ' 43' ' ' LEU . 5.2 p-90 -134.31 167.03 21.46 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.477 1.11 . . . . 0.0 108.034 179.895 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . 0.436 ' HB3' ' HB2' ' A' ' 36' ' ' CYS . . . -138.86 138.79 37.8 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.495 1.122 . . . . 0.0 109.259 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -61.86 -43.83 98.05 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.124 . . . . 0.0 110.075 179.933 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 31.2 p-90 -65.04 -19.35 65.95 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 107.98 -1.119 . . . . 0.0 107.98 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . 0.436 ' HB2' ' HB3' ' A' ' 33' ' ' ALA . 43.0 t -83.63 116.0 62.38 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.436 1.085 . . . . 0.0 108.294 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -54.31 0.09 OUTLIER 'Trans proline' 0 C--N 1.361 1.222 0 O-C-N 124.461 1.769 . . . . 0.0 111.017 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -47.96 -32.7 6.76 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.519 1.137 . . . . 0.0 109.313 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 4.1 m -68.61 -57.45 5.71 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.494 1.121 . . . . 0.0 108.245 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 16.9 mt -50.83 -52.18 43.9 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.502 1.126 . . . . 0.0 109.24 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.3 p -52.4 -25.32 9.59 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.558 1.161 . . . . 0.0 110.034 -179.913 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -93.36 -32.14 14.38 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.503 1.127 . . . . 0.0 110.343 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.531 HD11 ' CE2' ' A' ' 32' ' ' TRP . 0.2 OUTLIER -44.17 -54.43 5.63 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.533 1.146 . . . . 0.0 109.391 179.929 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -52.48 -52.87 34.91 Favored Glycine 0 CA--C 1.529 0.925 0 O-C-N 124.485 1.116 . . . . 0.0 111.035 179.879 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . 0.559 ' CD ' ' CZ2' ' A' ' 49' ' ' TRP . 43.9 tt0 -62.07 -30.02 70.7 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.442 0.73 . . . . 0.0 110.326 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 98.3 m -68.67 -38.89 80.73 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.553 1.158 . . . . 0.0 110.428 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 17.7 tt0 -60.98 -37.68 83.31 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.474 1.109 . . . . 0.0 110.281 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 5.4 ttpt -78.52 -37.52 42.85 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.489 1.118 . . . . 0.0 109.301 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' TRP . . . . . 0.559 ' CZ2' ' CD ' ' A' ' 45' ' ' GLN . 34.4 m0 -60.87 -31.47 70.94 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 107.952 -1.129 . . . . 0.0 107.952 -179.947 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -74.26 -8.88 57.77 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.616 1.197 . . . . 0.0 109.305 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 4.9 mt-30 -101.14 -10.6 20.28 Favored 'General case' 0 C--N 1.326 -0.413 0 O-C-N 124.485 1.115 . . . . 0.0 110.319 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 4.1 t70 -67.58 124.63 23.76 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.46 1.1 . . . . 0.0 109.286 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -52.21 -45.53 65.27 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.434 1.084 . . . . 0.0 109.287 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . 0.665 ' HG3' HD22 ' A' ' 134' ' ' LEU . 0.0 OUTLIER -50.17 -47.18 54.6 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.446 1.091 . . . . 0.0 109.352 -179.979 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . 0.658 ' CE1' HD12 ' A' ' 60' ' ' LEU . 0.6 OUTLIER -67.88 -28.09 67.23 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.377 1.048 . . . . 0.0 111.067 179.961 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . 0.403 ' O ' ' C ' ' A' ' 57' ' ' SER . 1.0 OUTLIER -46.52 -40.25 12.25 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.464 1.103 . . . . 0.0 109.939 179.995 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . 0.403 ' C ' ' O ' ' A' ' 56' ' ' SER . 69.8 m -39.42 -62.97 0.61 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.523 1.14 . . . . 0.0 109.987 -179.908 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . 0.406 ' O ' ' O ' ' A' ' 55' ' ' PHE . . . -100.65 165.99 11.12 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.529 1.143 . . . . 0.0 109.197 -179.941 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 67.6 m-80 -89.03 131.72 35.08 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.52 1.138 . . . . 0.0 109.241 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.727 HD23 ' N ' ' A' ' 61' ' ' ILE . 3.4 tt -118.39 127.03 53.29 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.48 1.113 . . . . 0.0 109.268 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.727 ' N ' HD23 ' A' ' 60' ' ' LEU . 0.9 OUTLIER -151.73 160.93 3.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 O-C-N 124.581 1.175 . . . . 0.0 109.237 179.995 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . 0.505 ' HB ' ' CD1' ' A' ' 32' ' ' TRP . 41.5 p -115.72 150.05 37.46 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.455 1.097 . . . . 0.0 110.395 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . 0.403 HG23 HG23 ' A' ' 29' ' ' ILE . 3.4 t -123.79 145.24 31.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.439 1.087 . . . . 0.0 109.309 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . 0.411 ' N ' ' O ' ' A' ' 92' ' ' VAL . . . -132.9 149.7 52.23 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.457 1.098 . . . . 0.0 109.33 179.909 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 2.6 p -126.62 108.92 22.96 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.49 1.119 . . . . 0.0 109.962 -179.934 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . 0.41 ' HD2' ' O ' ' A' ' 94' ' ' ASP . 18.5 Cg_endo -74.92 131.38 14.32 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.485 1.782 . . . . 0.0 111.094 179.903 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 86.62 -14.5 55.44 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.495 1.122 . . . . 0.0 110.991 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . 0.439 ' O ' ' HB2' ' A' ' 71' ' ' GLU . 0.5 OUTLIER -98.86 131.46 44.94 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.452 0.736 . . . . 0.0 111.035 -179.987 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 1.069 HD22 ' CE2' ' A' ' 108' ' ' TYR . 11.0 mp 66.84 14.54 9.85 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.564 1.165 . . . . 0.0 109.275 -179.951 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER 74.84 43.08 0.24 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.522 1.139 . . . . 0.0 109.595 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . 0.439 ' HB2' ' O ' ' A' ' 68' ' ' PHE . 0.2 OUTLIER -94.56 142.36 27.53 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.488 1.117 . . . . 0.0 110.317 180.0 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -42.28 119.98 1.52 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.45 1.094 . . . . 0.0 109.311 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 6.0 tptm -62.41 151.67 36.37 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.613 1.196 . . . . 0.0 109.402 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -44.82 141.59 2.08 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.481 1.113 . . . . 0.0 109.277 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . 0.491 ' CA ' ' HG2' ' A' ' 78' ' ' GLN . . . 91.71 -50.35 2.89 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.556 1.16 . . . . 0.0 110.99 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -71.64 -35.0 70.27 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.535 0.786 . . . . 0.0 109.34 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 33.7 t80 -71.86 -29.75 64.7 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.522 1.139 . . . . 0.0 111.062 179.913 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' GLN . . . . . 0.491 ' HG2' ' CA ' ' A' ' 75' ' ' GLY . 2.8 mm100 -68.43 -36.85 79.65 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.483 1.115 . . . . 0.0 110.313 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . 0.425 ' O ' ' HB3' ' A' ' 82' ' ' ALA . 9.1 mttt -61.01 -39.22 88.9 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.535 1.147 . . . . 0.0 109.276 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' TRP . . . . . 0.515 ' CD1' HD11 ' A' ' 84' ' ' LEU . 2.6 t90 -60.7 -52.34 65.53 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 108.02 -1.104 . . . . 0.0 108.02 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' TYR . . . . . 0.578 ' CD1' ' CE1' ' A' ' 86' ' ' TYR . 0.1 OUTLIER -52.66 -29.24 25.36 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.56 1.162 . . . . 0.0 111.003 179.992 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . 0.425 ' HB3' ' O ' ' A' ' 79' ' ' LYS . . . -70.42 -8.53 51.58 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.544 1.153 . . . . 0.0 109.355 179.927 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . 0.782 ' C ' HD13 ' A' ' 84' ' ' LEU . . . -94.93 -26.71 12.16 Favored Glycine 0 CA--C 1.531 1.073 0 O-C-N 124.481 1.113 . . . . 0.0 111.006 -179.917 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.782 HD13 ' C ' ' A' ' 83' ' ' GLY . 0.0 OUTLIER -138.77 65.08 1.46 Allowed 'General case' 0 C--N 1.327 -0.396 0 O-C-N 124.547 0.793 . . . . 0.0 109.267 -179.999 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 56.6 m-20 -47.55 157.34 0.24 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.524 1.14 . . . . 0.0 109.345 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' TYR . . . . . 0.613 ' CD1' ' N ' ' A' ' 86' ' ' TYR . 0.0 OUTLIER 178.97 81.23 0.17 Allowed Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.547 1.155 . . . . 0.0 110.981 179.989 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.0 1.65 7.5 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.543 1.812 . . . . 0.0 110.991 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 17.5 mttt -102.85 6.96 39.47 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.53 1.144 . . . . 0.0 109.33 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 0.534 HD12 ' HD2' ' A' ' 90' ' ' PRO . 1.9 tp -123.18 119.79 27.51 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.433 1.083 . . . . 0.0 109.369 179.946 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 90' ' ' PRO . . . . . 0.534 ' HD2' HD12 ' A' ' 89' ' ' LEU . 18.5 Cg_endo -74.92 127.34 10.67 Favored 'Trans proline' 0 C--N 1.358 1.062 0 O-C-N 124.432 1.754 . . . . 0.0 111.021 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . 0.43 ' O ' ' HB ' ' A' ' 11' ' ' THR . 7.5 t -145.8 117.94 2.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.473 1.108 . . . . 0.0 109.273 -179.938 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . 0.743 HG22 HG22 ' A' ' 11' ' ' THR . 46.3 t -112.14 134.21 55.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.57 1.169 . . . . 0.0 109.238 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . 0.424 ' O ' HD22 ' A' ' 9' ' ' LEU . 4.7 p -108.24 116.43 31.94 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.532 1.145 . . . . 0.0 110.322 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . 0.415 ' CG ' HD11 ' A' ' 9' ' ' LEU . 59.8 t0 -109.59 110.5 21.59 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.555 1.16 . . . . 0.0 109.344 179.907 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 41.3 t-20 -58.77 113.54 2.09 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.466 1.104 . . . . 0.0 109.331 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 87.25 -21.23 21.95 Favored Glycine 0 CA--C 1.529 0.946 0 O-C-N 124.532 1.145 . . . . 0.0 110.977 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 66.8 74.38 0.55 Allowed Glycine 0 CA--C 1.53 0.975 0 N-CA-C 111.018 -0.833 . . . . 0.0 111.018 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 98' ' ' THR . . . . . 0.463 ' O ' ' CB ' ' A' ' 102' ' ' SER . 1.0 OUTLIER -69.2 -29.2 67.12 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.491 0.759 . . . . 0.0 110.43 179.962 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 3.3 mt -77.54 -36.13 22.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.485 1.115 . . . . 0.0 109.288 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . 0.529 ' HA ' HD12 ' A' ' 105' ' ' ILE . . . -70.28 -39.78 74.69 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.415 1.072 . . . . 0.0 109.322 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 7.2 pt20 -80.11 -31.87 39.11 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.514 1.134 . . . . 0.0 110.3 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . 0.463 ' CB ' ' O ' ' A' ' 98' ' ' THR . 11.1 t -63.57 -32.71 74.25 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.526 1.141 . . . . 0.0 109.99 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . 0.638 HD21 HG11 ' A' ' 120' ' ' VAL . 7.6 mt -100.58 -8.05 23.4 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.513 1.133 . . . . 0.0 109.318 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 37.0 t30 62.07 62.01 1.27 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.552 1.157 . . . . 0.0 109.231 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 105' ' ' ILE . . . . . 0.75 ' O ' HG12 ' A' ' 107' ' ' VAL . 8.3 mt -94.83 -73.54 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.546 1.154 . . . . 0.0 109.315 179.951 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . 0.767 ' C ' HD21 ' A' ' 69' ' ' LEU . 26.5 p 53.05 27.34 5.62 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.51 1.131 . . . . 0.0 109.978 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 107' ' ' VAL . . . . . 0.75 HG12 ' O ' ' A' ' 105' ' ' ILE . 2.4 p -148.51 131.97 8.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.431 1.082 . . . . 0.0 109.339 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 108' ' ' TYR . . . . . 1.069 ' CE2' HD22 ' A' ' 69' ' ' LEU . 15.8 m-85 -131.36 152.98 81.48 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.555 1.16 . . . . 0.0 110.994 -179.932 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 109' ' ' PRO . . . . . 0.526 ' C ' ' HA ' ' A' ' 108' ' ' TYR . 18.2 Cg_endo -74.99 173.59 57.08 Favored 'Cis proline' 0 C--N 1.36 1.181 0 C-N-CA 121.047 -2.48 . . . . 0.0 110.997 -0.014 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 110' ' ' SER . . . . . 0.428 ' O ' ' HA ' ' A' ' 30' ' ' LYS . 0.0 OUTLIER -155.59 154.04 31.06 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.576 1.173 . . . . 0.0 109.971 179.964 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 111' ' ' TRP . . . . . 0.491 ' CZ2' ' HD2' ' A' ' 30' ' ' LYS . 61.5 m95 -124.69 137.97 54.32 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.547 1.154 . . . . 0.0 107.992 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 112' ' ' ALA . . . . . 0.579 ' HB3' ' HB ' ' A' ' 29' ' ' ILE . . . -129.52 136.32 49.71 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.482 1.114 . . . . 0.0 109.283 -179.949 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 23.9 tp -108.64 133.72 52.35 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.415 1.072 . . . . 0.0 109.225 -179.931 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 114' ' ' ILE . . . . . 0.584 HG13 HD11 ' A' ' 29' ' ' ILE . 5.0 mm -122.13 119.42 58.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.491 1.119 . . . . 0.0 109.228 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 115' ' ' GLY . . . . . 0.453 ' CA ' ' HG3' ' A' ' 121' ' ' GLN . . . -49.99 164.51 0.61 Allowed Glycine 0 CA--C 1.529 0.945 0 O-C-N 124.518 1.136 . . . . 0.0 110.934 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.61 -15.08 63.41 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.47 0.747 . . . . 0.0 109.276 -179.946 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -78.83 -22.53 46.02 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.492 1.12 . . . . 0.0 109.294 179.952 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . 101.42 28.02 6.95 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.478 1.111 . . . . 0.0 110.969 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 3.1 p-10 -126.17 153.13 45.07 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.577 0.81 . . . . 0.0 109.311 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 120' ' ' VAL . . . . . 0.638 HG11 HD21 ' A' ' 103' ' ' LEU . 70.3 t -52.68 118.5 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.554 1.159 . . . . 0.0 109.304 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 121' ' ' GLN . . . . . 0.453 ' HG3' ' CA ' ' A' ' 115' ' ' GLY . 0.0 OUTLIER -96.01 -56.69 2.57 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.58 1.175 . . . . 0.0 110.39 179.941 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -151.7 150.7 30.52 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.535 1.147 . . . . 0.0 110.316 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 123' ' ' ILE . . . . . 0.474 HD12 HD22 ' A' ' 103' ' ' LEU . 14.0 tt -116.44 141.94 32.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 O-C-N 124.476 1.11 . . . . 0.0 109.318 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 16.0 t -134.24 130.34 54.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.469 1.106 . . . . 0.0 109.334 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -115.64 131.68 56.86 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.48 1.112 . . . . 0.0 109.254 -179.933 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . 121.87 -153.63 16.76 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.439 1.087 . . . . 0.0 111.008 -180.0 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -125.68 141.42 52.02 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.548 0.793 . . . . 0.0 109.938 -179.93 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 128' ' ' ILE . . . . . 0.446 HG22 ' OE1' ' A' ' 132' ' ' GLN . 4.1 pt -120.49 163.08 18.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.463 1.102 . . . . 0.0 109.323 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 129' ' ' ASN . . . . . . . . . . . . . 1.8 p30 -108.0 165.41 11.49 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.572 1.17 . . . . 0.0 109.344 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 130' ' ' GLU . . . . . 0.476 ' OE1' ' CD1' ' A' ' 49' ' ' TRP . 1.4 tt0 -51.24 -33.77 29.44 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.45 1.094 . . . . 0.0 110.318 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -56.99 -54.79 42.75 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.551 1.157 . . . . 0.0 109.289 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 132' ' ' GLN . . . . . 0.446 ' OE1' HG22 ' A' ' 128' ' ' ILE . 5.6 mt-30 -51.24 -48.0 62.23 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.482 1.114 . . . . 0.0 110.277 179.947 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 133' ' ' ALA . . . . . 0.468 ' HB1' ' CZ ' ' A' ' 55' ' ' PHE . . . -52.74 -45.87 67.21 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.526 1.142 . . . . 0.0 109.281 -179.942 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 134' ' ' LEU . . . . . 0.665 HD22 ' HG3' ' A' ' 54' ' ' LYS . 61.1 mt -70.85 -53.06 16.62 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.475 1.109 . . . . 0.0 109.366 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -51.68 -21.73 2.91 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.56 1.162 . . . . 0.0 109.215 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 136' ' ' LEU . . . . . 0.5 ' HA ' ' HB1' ' A' ' 142' ' ' ALA . 3.9 tp -75.45 -45.02 41.18 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.509 1.131 . . . . 0.0 109.265 -179.927 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 137' ' ' ILE . . . . . 0.619 HD13 ' O ' ' A' ' 54' ' ' LYS . 5.9 mt -81.19 -40.92 18.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 O-C-N 124.438 1.086 . . . . 0.0 109.327 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.57 -48.24 82.64 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.409 1.068 . . . . 0.0 110.4 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 139' ' ' ASP . . . . . 0.466 ' HB3' ' HB3' ' A' ' 142' ' ' ALA . 4.0 t70 -82.98 129.87 59.73 Favored Pre-proline 0 C--N 1.327 -0.398 0 O-C-N 124.522 1.139 . . . . 0.0 109.316 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -26.77 10.61 Favored 'Trans proline' 0 C--N 1.359 1.105 0 O-C-N 124.512 1.796 . . . . 0.0 110.974 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 141' ' ' ASN . . . . . . . . . . . . . 59.4 m-20 -79.08 -15.88 57.55 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.451 1.094 . . . . 0.0 109.269 -179.938 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 142' ' ' ALA . . . . . 0.5 ' HB1' ' HA ' ' A' ' 136' ' ' LEU . . . -91.79 94.83 9.54 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.59 1.181 . . . . 0.0 109.242 -179.924 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 143' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER 60.82 158.79 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.508 1.13 . . . . 0.0 109.272 179.935 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 1.8 mt . . . . . 0 C--N 1.324 -0.523 0 O-C-N 124.522 1.139 . . . . 0.0 109.333 179.983 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 24.6 mtt . . . . . 0 N--CA 1.453 -0.308 0 CA-C-O 120.493 0.187 . . . . 0.0 111.024 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . 0.855 HG22 ' HD2' ' A' ' 3' ' ' PRO . 0.4 OUTLIER -159.62 151.29 16.71 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.533 1.146 . . . . 0.0 109.339 179.96 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . 0.855 ' HD2' HG22 ' A' ' 2' ' ' VAL . 18.1 Cg_endo -74.91 -35.79 3.02 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.472 1.775 . . . . 0.0 111.036 -179.943 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 1.5 t-80 -47.56 -61.37 1.96 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.54 1.15 . . . . 0.0 109.577 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 4.9 m -58.4 -45.76 87.75 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.55 1.156 . . . . 0.0 110.368 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.592 HD12 HD12 ' A' ' 9' ' ' LEU . 21.6 tp -53.72 -44.04 69.55 Favored 'General case' 0 C--N 1.323 -0.555 0 O-C-N 124.52 1.138 . . . . 0.0 109.327 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 6.5 t -68.67 -22.88 64.36 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.589 1.181 . . . . 0.0 110.034 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 2.5 m -82.54 -27.46 31.64 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.556 1.16 . . . . 0.0 110.4 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.592 HD12 HD12 ' A' ' 6' ' ' LEU . 49.4 mt -47.21 153.84 0.44 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.523 1.139 . . . . 0.0 109.376 179.943 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.419 ' HA ' ' O ' ' A' ' 15' ' ' ARG . 11.0 mttt -133.83 150.58 51.41 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.508 1.13 . . . . 0.0 109.197 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . 0.415 ' HA ' ' O ' ' A' ' 91' ' ' VAL . 37.9 p -83.63 -179.13 7.24 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.475 1.11 . . . . 0.0 110.45 179.929 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . 0.687 ' HB3' ' CD2' ' A' ' 81' ' ' TYR . . . -75.37 -3.52 34.09 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.531 1.144 . . . . 0.0 109.287 -179.954 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -104.99 18.16 22.86 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.515 1.134 . . . . 0.0 109.313 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 58.8 33.41 23.04 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.516 1.135 . . . . 0.0 109.29 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . 0.419 ' O ' ' HA ' ' A' ' 10' ' ' LYS . 0.0 OUTLIER -108.57 146.05 32.88 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.46 1.1 . . . . 0.0 110.276 179.997 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . 0.48 ' HG2' HG23 ' A' ' 19' ' ' VAL . 18.3 Cg_endo -75.03 136.6 20.55 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.575 1.829 . . . . 0.0 110.962 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -70.68 -27.9 64.37 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.426 1.079 . . . . 0.0 109.352 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . 0.616 ' HA ' HD23 ' A' ' 21' ' ' LEU . 55.0 p -56.18 -18.38 10.0 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.501 1.125 . . . . 0.0 110.05 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.48 HG23 ' HG2' ' A' ' 16' ' ' PRO . 73.8 t -62.29 -31.21 50.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.395 1.06 . . . . 0.0 109.222 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 23.3 m-85 -121.75 28.81 7.44 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.506 1.129 . . . . 0.0 110.932 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.616 HD23 ' HA ' ' A' ' 18' ' ' SER . 0.4 OUTLIER -71.21 100.75 2.15 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.487 1.117 . . . . 0.0 109.199 -179.962 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . 0.551 ' CD ' ' O ' ' A' ' 25' ' ' LYS . 0.1 OUTLIER -39.6 98.58 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.47 1.106 . . . . 0.0 109.248 179.983 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.551 ' O ' ' CB ' ' A' ' 24' ' ' ASP . 17.7 tttt -67.04 64.86 0.06 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.461 1.101 . . . . 0.0 109.256 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . 0.551 ' CB ' ' O ' ' A' ' 23' ' ' LYS . 3.2 t70 85.82 31.22 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.52 1.137 . . . . 0.0 109.274 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.551 ' O ' ' CD ' ' A' ' 22' ' ' LYS . 15.2 mtpt -124.23 165.2 25.5 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.526 1.141 . . . . 0.0 109.296 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . 0.407 ' HD2' ' HB3' ' A' ' 25' ' ' LYS . 18.0 Cg_endo -75.0 134.48 17.86 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.451 1.764 . . . . 0.0 110.915 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . 0.429 ' CB ' ' HG2' ' A' ' 22' ' ' LYS . 0.9 OUTLIER -121.04 143.01 49.28 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.535 1.147 . . . . 0.0 110.401 -179.993 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.903 HD12 ' O ' ' A' ' 112' ' ' ALA . 25.1 tp -122.93 129.98 52.26 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.518 1.136 . . . . 0.0 109.324 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.532 ' HB ' ' HB3' ' A' ' 112' ' ' ALA . 2.2 mp -107.02 152.91 8.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.42 1.075 . . . . 0.0 109.346 179.934 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.477 ' NZ ' ' CZ2' ' A' ' 111' ' ' TRP . 10.3 tptm -139.0 109.76 6.68 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.605 1.191 . . . . 0.0 109.267 -179.945 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . 0.584 ' HB3' ' CE1' ' A' ' 108' ' ' TYR . 66.3 m-85 -80.87 131.72 35.4 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.504 1.127 . . . . 0.0 110.985 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' TRP . . . . . 0.996 ' CZ3' HD11 ' A' ' 43' ' ' LEU . 5.8 p-90 -141.26 167.21 22.73 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 107.984 -1.117 . . . . 0.0 107.984 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -134.02 147.85 51.01 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.549 1.155 . . . . 0.0 109.244 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . 0.589 ' OG ' ' CZ3' ' A' ' 80' ' ' TRP . 47.7 t -73.74 -18.59 60.97 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.452 1.095 . . . . 0.0 109.978 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 20.7 p-90 -91.18 -12.46 35.31 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.568 1.167 . . . . 0.0 107.935 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 34.5 t -86.35 114.81 59.46 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.526 1.141 . . . . 0.0 108.317 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . 0.461 ' HA ' HD12 ' A' ' 40' ' ' LEU . 18.4 Cg_endo -74.92 -48.42 0.18 Allowed 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.455 1.766 . . . . 0.0 111.002 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.406 ' HG ' ' N ' ' A' ' 39' ' ' CYS . 0.3 OUTLIER -52.19 -34.61 46.06 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.488 1.117 . . . . 0.0 109.292 -179.888 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . 0.406 ' N ' ' HG ' ' A' ' 38' ' ' LEU . 57.0 m -73.48 -43.47 60.1 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.523 1.139 . . . . 0.0 108.288 179.951 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.694 HD21 ' HH2' ' A' ' 80' ' ' TRP . 13.8 mt -51.3 -47.65 62.54 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.563 1.165 . . . . 0.0 109.264 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 2.6 p -70.44 -25.3 63.13 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.545 1.153 . . . . 0.0 110.011 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -77.7 -24.98 49.11 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.56 1.163 . . . . 0.0 110.279 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.996 HD11 ' CZ3' ' A' ' 32' ' ' TRP . 19.2 mt -50.55 -54.79 19.79 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.578 1.174 . . . . 0.0 109.343 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -53.1 -54.17 30.48 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.523 1.139 . . . . 0.0 110.961 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -61.1 -30.52 70.41 Favored 'General case' 0 C--N 1.327 -0.407 0 O-C-N 124.506 0.768 . . . . 0.0 110.327 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 51.9 m -69.12 -37.25 78.24 Favored 'General case' 0 C--N 1.327 -0.396 0 O-C-N 124.593 1.183 . . . . 0.0 110.438 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 13.8 tt0 -69.85 -37.42 76.13 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.462 1.101 . . . . 0.0 110.303 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -69.31 -33.11 72.65 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.436 1.085 . . . . 0.0 109.296 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' TRP . . . . . 0.408 ' HB3' ' CE2' ' A' ' 55' ' ' PHE . 46.9 m0 -76.26 -28.11 56.95 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 108.028 -1.101 . . . . 0.0 108.028 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -74.35 -8.94 57.95 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.524 1.14 . . . . 0.0 109.279 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -103.82 -17.08 15.2 Favored 'General case' 0 C--N 1.323 -0.554 0 O-C-N 124.569 1.168 . . . . 0.0 110.342 179.945 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.9 t0 -57.32 129.43 41.78 Favored 'General case' 0 C--N 1.327 -0.404 0 O-C-N 124.436 1.085 . . . . 0.0 109.296 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -58.37 -48.91 79.1 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.488 1.118 . . . . 0.0 109.263 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -49.2 -38.78 27.3 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.509 1.131 . . . . 0.0 109.302 -179.921 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . 0.764 ' CE1' HD12 ' A' ' 60' ' ' LEU . 0.1 OUTLIER -75.21 -28.55 60.01 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.467 1.105 . . . . 0.0 110.932 179.993 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -46.51 -40.16 12.07 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.476 1.11 . . . . 0.0 110.021 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 33.1 t -39.8 -55.22 2.0 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.47 1.106 . . . . 0.0 109.967 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . 0.404 ' O ' ' O ' ' A' ' 55' ' ' PHE . . . -106.97 165.78 11.09 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.534 1.147 . . . . 0.0 109.291 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 2.0 m-20 -89.04 130.08 35.56 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.407 1.067 . . . . 0.0 109.292 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.764 HD12 ' CE1' ' A' ' 55' ' ' PHE . 4.7 tt -116.72 125.93 52.4 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.57 1.169 . . . . 0.0 109.305 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.624 ' N ' HD23 ' A' ' 60' ' ' LEU . 1.8 pp -153.93 162.32 2.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 O-C-N 124.511 1.132 . . . . 0.0 109.343 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . 0.537 ' HB ' ' CD1' ' A' ' 32' ' ' TRP . 55.1 p -111.82 147.6 35.38 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.5 1.125 . . . . 0.0 110.391 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 2.1 t -116.65 144.11 25.17 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.441 1.088 . . . . 0.0 109.272 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -134.66 146.47 49.54 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.564 1.165 . . . . 0.0 109.355 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . 0.424 ' HG ' ' HD1' ' A' ' 68' ' ' PHE . 68.6 p -120.36 108.14 38.25 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.463 1.102 . . . . 0.0 109.937 -179.887 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.94 136.67 20.84 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.482 1.78 . . . . 0.0 111.028 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 72.11 6.18 63.91 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.483 1.114 . . . . 0.0 110.964 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . 0.424 ' HD1' ' HG ' ' A' ' 65' ' ' SER . 51.7 t80 -118.64 126.88 52.91 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.475 0.75 . . . . 0.0 110.998 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 1.2 tp 69.12 48.31 0.69 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.485 1.115 . . . . 0.0 109.314 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER 51.52 23.61 1.92 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.535 1.147 . . . . 0.0 109.633 179.947 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . 0.424 ' HG3' ' N ' ' A' ' 72' ' ' LYS . 6.5 tp10 -77.41 151.08 34.96 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.49 1.118 . . . . 0.0 110.348 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . 0.424 ' N ' ' HG3' ' A' ' 71' ' ' GLU . 0.0 OUTLIER -53.84 131.84 40.55 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.528 1.142 . . . . 0.0 109.329 179.966 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 1.6 tttt -62.58 148.1 47.13 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.447 1.092 . . . . 0.0 109.288 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -50.34 150.78 2.4 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.463 1.102 . . . . 0.0 109.314 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . 0.409 ' CA ' ' HG2' ' A' ' 78' ' ' GLN . . . 86.27 -48.91 4.0 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.401 1.063 . . . . 0.0 111.016 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -70.93 -36.09 72.51 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.577 0.81 . . . . 0.0 109.277 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' PHE . . . . . 0.474 ' CD1' ' C ' ' A' ' 77' ' ' PHE . 0.7 OUTLIER -77.5 -57.17 3.97 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.451 1.094 . . . . 0.0 111.005 179.963 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' GLN . . . . . 0.409 ' HG2' ' CA ' ' A' ' 75' ' ' GLY . 19.2 pt20 -50.94 -25.34 4.51 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.534 1.146 . . . . 0.0 110.33 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 9.0 mtpt -77.82 -49.02 15.14 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.531 1.145 . . . . 0.0 109.299 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' TRP . . . . . 0.729 ' CE2' HD11 ' A' ' 84' ' ' LEU . 14.2 t90 -54.11 -50.6 66.49 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.462 1.101 . . . . 0.0 108.035 179.876 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' TYR . . . . . 0.687 ' CD2' ' HB3' ' A' ' 12' ' ' ALA . 34.3 t80 -55.67 -39.7 71.28 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.58 1.175 . . . . 0.0 110.968 -179.941 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -60.66 -23.36 64.74 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.514 1.134 . . . . 0.0 109.274 -179.899 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -92.71 -19.53 37.17 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.487 1.117 . . . . 0.0 111.01 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.729 HD11 ' CE2' ' A' ' 80' ' ' TRP . 95.4 mt -71.32 163.21 28.11 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.429 0.723 . . . . 0.0 109.328 179.928 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' ASN . . . . . 0.439 ' N ' ' OD1' ' A' ' 85' ' ' ASN . 0.7 OUTLIER -96.54 -165.09 1.22 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.518 1.136 . . . . 0.0 109.302 179.957 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' TYR . . . . . 0.435 ' N ' ' HD3' ' A' ' 87' ' ' PRO . 62.7 m-85 53.93 62.57 8.81 Favored Pre-proline 0 C--N 1.324 -0.532 0 O-C-N 124.589 1.181 . . . . 0.0 110.993 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' PRO . . . . . 0.435 ' HD3' ' N ' ' A' ' 86' ' ' TYR . 18.3 Cg_endo -75.03 45.66 1.39 Allowed 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.445 1.761 . . . . 0.0 111.023 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . 0.405 ' H ' ' C ' ' A' ' 86' ' ' TYR . 12.9 mttp -136.16 8.39 3.19 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.482 1.114 . . . . 0.0 109.274 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 0.954 HD12 ' HD2' ' A' ' 90' ' ' PRO . 6.9 tp -98.71 128.3 33.05 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.576 1.172 . . . . 0.0 109.276 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 90' ' ' PRO . . . . . 0.954 ' HD2' HD12 ' A' ' 89' ' ' LEU . 18.6 Cg_endo -74.89 128.15 11.33 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.542 1.812 . . . . 0.0 111.07 179.924 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . 0.516 HG21 ' CE1' ' A' ' 81' ' ' TYR . 12.2 t -143.56 121.66 6.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 O-C-N 124.562 1.164 . . . . 0.0 109.348 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . 0.59 HG21 HD13 ' A' ' 61' ' ' ILE . 99.5 t -115.94 128.56 73.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.548 1.155 . . . . 0.0 109.266 -179.953 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 3.2 p -105.72 116.21 31.55 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.532 1.145 . . . . 0.0 110.402 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 53.5 t0 -113.94 111.74 22.19 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.52 1.137 . . . . 0.0 109.322 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 24.5 t-20 -56.82 118.07 4.56 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.518 1.136 . . . . 0.0 109.251 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 88.65 -21.71 24.76 Favored Glycine 0 CA--C 1.531 1.092 0 O-C-N 124.498 1.124 . . . . 0.0 110.896 179.914 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 71.8 55.84 7.03 Favored Glycine 0 CA--C 1.529 0.966 0 N-CA-C 110.948 -0.861 . . . . 0.0 110.948 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 3.4 m -52.54 -32.22 39.65 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.424 0.72 . . . . 0.0 110.287 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 99' ' ' ILE . . . . . 0.774 ' N ' HD13 ' A' ' 99' ' ' ILE . 1.2 mm -70.14 -37.49 72.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.52 1.137 . . . . 0.0 109.368 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . 0.486 ' HA ' HD12 ' A' ' 105' ' ' ILE . . . -76.95 -40.05 48.4 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.474 1.108 . . . . 0.0 109.275 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 1.6 mt-30 -72.4 -33.87 67.47 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.128 . . . . 0.0 110.219 -179.951 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 3.3 m -65.34 -35.44 80.98 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.528 1.143 . . . . 0.0 109.965 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . 0.684 HD21 HG11 ' A' ' 120' ' ' VAL . 39.9 mt -104.74 12.41 32.81 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.444 1.09 . . . . 0.0 109.321 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 14.4 t30 43.87 70.46 0.32 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.506 1.129 . . . . 0.0 109.324 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 105' ' ' ILE . . . . . 0.486 HD12 ' HA ' ' A' ' 100' ' ' ALA . 68.5 mt -109.2 151.66 11.46 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 O-C-N 124.465 1.103 . . . . 0.0 109.285 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 8.9 p -162.88 29.83 0.1 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.474 1.109 . . . . 0.0 110.025 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 2.0 p -147.26 132.3 11.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.456 1.097 . . . . 0.0 109.275 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 108' ' ' TYR . . . . . 0.584 ' CE1' ' HB3' ' A' ' 31' ' ' PHE . 22.7 m-85 -130.77 152.91 81.34 Favored Pre-proline 0 C--N 1.324 -0.532 0 O-C-N 124.488 1.117 . . . . 0.0 111.006 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 109' ' ' PRO . . . . . 0.536 ' C ' ' HA ' ' A' ' 108' ' ' TYR . 18.4 Cg_endo -74.86 171.99 65.11 Favored 'Cis proline' 0 C--N 1.36 1.174 0 C-N-CA 121.014 -2.494 . . . . 0.0 111.028 -0.121 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 110' ' ' SER . . . . . 0.407 ' O ' ' HA ' ' A' ' 30' ' ' LYS . 0.4 OUTLIER -146.27 164.16 33.2 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.526 1.141 . . . . 0.0 110.081 179.864 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 111' ' ' TRP . . . . . 0.477 ' CZ2' ' NZ ' ' A' ' 30' ' ' LYS . 58.6 m95 -134.66 138.13 44.19 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.515 1.135 . . . . 0.0 108.017 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 112' ' ' ALA . . . . . 0.903 ' O ' HD12 ' A' ' 28' ' ' LEU . . . -129.16 138.27 51.67 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.437 1.086 . . . . 0.0 109.261 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 113' ' ' LEU . . . . . 0.58 HD23 ' HB3' ' A' ' 121' ' ' GLN . 15.2 tp -108.41 136.28 48.29 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.42 1.075 . . . . 0.0 109.352 179.938 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 114' ' ' ILE . . . . . 0.513 HG13 HD11 ' A' ' 29' ' ' ILE . 4.7 mm -122.15 118.99 57.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.446 1.091 . . . . 0.0 109.343 179.936 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 115' ' ' GLY . . . . . 0.408 ' N ' ' HB2' ' A' ' 121' ' ' GLN . . . -51.69 164.58 1.19 Allowed Glycine 0 CA--C 1.531 1.067 0 O-C-N 124.43 1.081 . . . . 0.0 111.012 -179.957 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.83 -9.88 48.23 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.598 0.822 . . . . 0.0 109.33 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -87.19 -23.35 24.82 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.551 1.157 . . . . 0.0 109.297 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . 103.85 25.9 6.99 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.539 1.149 . . . . 0.0 110.948 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 20.1 p-10 -122.6 158.71 29.36 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.487 0.757 . . . . 0.0 109.321 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 120' ' ' VAL . . . . . 0.684 HG11 HD21 ' A' ' 103' ' ' LEU . 63.7 t -57.79 117.14 1.41 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.595 1.184 . . . . 0.0 109.321 -179.929 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 121' ' ' GLN . . . . . 0.58 ' HB3' HD23 ' A' ' 113' ' ' LEU . 8.1 tt0 -94.44 -49.19 5.79 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.489 1.118 . . . . 0.0 110.252 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -155.7 155.1 32.56 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.501 1.126 . . . . 0.0 110.298 -179.952 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 123' ' ' ILE . . . . . 0.504 HD12 HD13 ' A' ' 103' ' ' LEU . 7.8 tt -123.55 137.77 55.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.468 1.105 . . . . 0.0 109.293 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 96.2 t -128.86 137.64 56.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.503 1.127 . . . . 0.0 109.339 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -115.79 125.41 52.69 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.539 1.15 . . . . 0.0 109.296 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . 116.61 -149.4 18.78 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.554 1.159 . . . . 0.0 111.082 -179.928 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -122.02 161.16 23.48 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.512 0.771 . . . . 0.0 110.017 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 128' ' ' ILE . . . . . 0.572 HG22 ' CD ' ' A' ' 132' ' ' GLN . 10.0 pt -135.36 166.59 27.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.501 1.126 . . . . 0.0 109.227 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 129' ' ' ASN . . . . . 0.437 ' OD1' ' HB3' ' A' ' 131' ' ' ALA . 1.0 OUTLIER -107.12 166.47 10.6 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.551 1.157 . . . . 0.0 109.253 -179.985 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 18.3 tt0 -51.93 -36.31 48.73 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.485 1.116 . . . . 0.0 110.272 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 131' ' ' ALA . . . . . 0.437 ' HB3' ' OD1' ' A' ' 129' ' ' ASN . . . -61.28 -51.03 70.6 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.46 1.1 . . . . 0.0 109.274 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 132' ' ' GLN . . . . . 0.572 ' CD ' HG22 ' A' ' 128' ' ' ILE . 4.0 mt-30 -50.94 -44.61 60.41 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.414 1.071 . . . . 0.0 110.275 -179.925 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -53.03 -46.41 68.44 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.41 1.069 . . . . 0.0 109.3 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 9.0 mt -61.34 -53.6 54.64 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.456 1.097 . . . . 0.0 109.251 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -57.31 -31.06 65.29 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.545 1.153 . . . . 0.0 109.35 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 9.1 tp -67.03 -45.99 75.82 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.477 1.111 . . . . 0.0 109.321 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 137' ' ' ILE . . . . . . . . . . . . . 9.4 mt -75.49 -27.48 19.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.436 1.085 . . . . 0.0 109.351 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.26 -47.61 19.66 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.463 1.102 . . . . 0.0 110.253 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 61.8 t0 -156.41 119.92 2.31 Favored Pre-proline 0 C--N 1.326 -0.423 0 O-C-N 124.434 1.084 . . . . 0.0 109.282 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 -13.82 21.22 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.516 1.798 . . . . 0.0 111.006 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 141' ' ' ASN . . . . . . . . . . . . . 75.2 m-20 -81.62 -23.6 36.9 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.593 1.183 . . . . 0.0 109.301 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -52.54 104.81 0.1 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.545 1.153 . . . . 0.0 109.3 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 143' ' ' ASP . . . . . . . . . . . . . 7.3 t0 -152.1 155.15 37.33 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.497 1.123 . . . . 0.0 109.271 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 144' ' ' LEU . . . . . 0.431 HD22 ' C ' ' A' ' 144' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.46 0 O-C-N 124.483 1.114 . . . . 0.0 109.312 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.468 ' HG2' ' HZ3' ' A' ' 23' ' ' LYS . 16.9 mtt . . . . . 0 N--CA 1.452 -0.356 0 CA-C-O 120.46 0.172 . . . . 0.0 111.053 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . 0.423 ' N ' ' HD3' ' A' ' 3' ' ' PRO . 14.9 m -146.94 64.24 8.88 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.522 1.139 . . . . 0.0 109.338 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . 0.423 ' HD3' ' N ' ' A' ' 2' ' ' VAL . 18.0 Cg_endo -75.02 -39.81 1.08 Allowed 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.391 1.732 . . . . 0.0 110.931 -179.958 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 7.6 p-80 -61.95 -29.77 70.47 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.525 1.14 . . . . 0.0 109.621 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 20.1 m -69.93 -53.36 18.23 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.48 1.113 . . . . 0.0 110.425 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 5.4 mt -70.54 -35.52 73.17 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.481 1.113 . . . . 0.0 109.296 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 41.3 t -63.53 -23.33 67.34 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.48 1.113 . . . . 0.0 109.989 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 3.2 m -77.07 -5.86 50.53 Favored 'General case' 0 C--N 1.323 -0.556 0 O-C-N 124.545 1.153 . . . . 0.0 110.386 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.633 HD12 ' HA ' ' A' ' 94' ' ' ASP . 2.2 mm? -100.02 130.47 46.18 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.477 1.111 . . . . 0.0 109.278 -179.93 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 28.9 mttm -113.7 155.76 25.0 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.546 1.154 . . . . 0.0 109.328 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 14.7 p -82.59 -178.6 7.14 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.488 1.118 . . . . 0.0 110.355 -179.947 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . 0.532 ' CB ' ' CG ' ' A' ' 81' ' ' TYR . . . -70.32 -9.18 55.38 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.536 1.148 . . . . 0.0 109.392 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -101.01 23.58 10.54 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.561 1.163 . . . . 0.0 109.354 179.947 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 50.3 33.68 7.79 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.523 1.139 . . . . 0.0 109.244 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 11.0 mmt85 -110.39 160.32 28.88 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.577 1.173 . . . . 0.0 110.312 179.93 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . 0.494 ' HG2' HG23 ' A' ' 19' ' ' VAL . 18.2 Cg_endo -75.04 139.44 24.17 Favored 'Trans proline' 0 C--N 1.358 1.074 0 O-C-N 124.547 1.814 . . . . 0.0 110.938 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -74.07 -21.63 59.85 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.48 1.112 . . . . 0.0 109.326 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 97.2 p -59.58 -26.33 65.33 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.513 1.133 . . . . 0.0 110.026 179.905 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.494 HG23 ' HG2' ' A' ' 16' ' ' PRO . 39.9 t -67.51 -20.41 26.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 O-C-N 124.468 1.105 . . . . 0.0 109.322 -179.906 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 35.0 m-85 -120.22 21.71 11.65 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.504 1.128 . . . . 0.0 110.961 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -129.43 107.04 9.19 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.426 1.079 . . . . 0.0 109.271 179.941 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 15.7 tptt -100.36 125.95 46.66 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.445 1.091 . . . . 0.0 109.303 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.468 ' HZ3' ' HG2' ' A' ' 1' ' ' MET . 2.1 tttt -85.38 16.74 3.51 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.432 1.083 . . . . 0.0 109.313 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 14.3 t70 -133.51 9.2 3.97 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.532 1.145 . . . . 0.0 109.249 -179.933 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 1.3 mmmt -148.37 159.74 38.38 Favored Pre-proline 0 C--N 1.324 -0.531 0 O-C-N 124.492 1.12 . . . . 0.0 109.343 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 141.98 27.39 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.474 1.776 . . . . 0.0 110.989 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 41.9 m -122.32 123.19 40.83 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.416 1.072 . . . . 0.0 110.322 -179.94 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 12.0 tp -102.02 127.68 48.79 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.573 1.171 . . . . 0.0 109.322 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.492 ' HB ' ' HB3' ' A' ' 112' ' ' ALA . 2.8 mt -108.69 148.7 12.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.474 1.109 . . . . 0.0 109.269 -179.93 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.479 ' HG3' ' CE2' ' A' ' 111' ' ' TRP . 0.6 OUTLIER -138.63 120.96 15.94 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.533 1.145 . . . . 0.0 109.275 -179.971 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . 0.612 ' CZ ' HD12 ' A' ' 105' ' ' ILE . 55.9 m-85 -92.32 129.77 38.18 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.552 1.157 . . . . 0.0 110.989 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' TRP . . . . . 0.722 ' CE2' HD11 ' A' ' 43' ' ' LEU . 13.1 p-90 -137.26 171.94 13.74 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.529 1.143 . . . . 0.0 108.004 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -135.78 153.94 51.37 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.526 1.142 . . . . 0.0 109.34 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . 0.502 ' OG ' ' CE3' ' A' ' 80' ' ' TRP . 31.0 t -80.73 -23.54 39.39 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.544 1.153 . . . . 0.0 109.938 -179.903 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 51.2 p-90 -83.76 -2.9 57.26 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.583 1.177 . . . . 0.0 108.022 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 46.2 t -100.75 108.73 55.16 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.556 1.16 . . . . 0.0 108.305 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.9 -37.47 2.09 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.42 1.748 . . . . 0.0 111.104 179.923 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.451 ' O ' HD22 ' A' ' 38' ' ' LEU . 1.7 tm? -62.15 -29.69 70.52 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.543 1.152 . . . . 0.0 109.324 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . 0.469 ' O ' HD23 ' A' ' 43' ' ' LEU . 4.3 m -78.61 -46.31 19.61 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.43 1.081 . . . . 0.0 108.291 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 30.4 mt -51.61 -46.12 63.45 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.46 1.1 . . . . 0.0 109.335 179.913 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 24.0 p -63.49 -25.2 68.15 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.49 1.118 . . . . 0.0 110.049 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -88.9 -27.27 21.1 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.46 1.1 . . . . 0.0 110.246 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.722 HD11 ' CE2' ' A' ' 32' ' ' TRP . 0.1 OUTLIER -50.7 -44.95 58.14 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.44 1.088 . . . . 0.0 109.363 179.982 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -60.31 -50.61 65.74 Favored Glycine 0 CA--C 1.532 1.111 0 O-C-N 124.44 1.088 . . . . 0.0 110.991 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 4.9 tp-100 -61.05 -30.53 70.38 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.537 0.786 . . . . 0.0 110.3 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 23.8 m -65.79 -34.15 77.51 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.493 1.121 . . . . 0.0 110.494 179.928 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . 0.425 ' OE2' ' N ' ' A' ' 89' ' ' LEU . 58.8 tt0 -71.14 -31.39 67.67 Favored 'General case' 0 C--N 1.327 -0.413 0 O-C-N 124.466 1.104 . . . . 0.0 110.246 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 1.3 tttm -78.18 -31.97 49.88 Favored 'General case' 0 C--N 1.323 -0.554 0 O-C-N 124.589 1.181 . . . . 0.0 109.218 -179.893 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' TRP . . . . . 0.556 ' HB3' ' CE2' ' A' ' 55' ' ' PHE . 45.1 m0 -72.94 -28.09 62.23 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.577 1.173 . . . . 0.0 107.97 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -72.23 -9.01 57.9 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.471 1.107 . . . . 0.0 109.406 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 9.4 mt-30 -103.25 -14.62 16.27 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.496 1.122 . . . . 0.0 110.292 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . 0.403 ' OD1' ' N ' ' A' ' 55' ' ' PHE . 1.9 t70 -63.1 133.72 54.91 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.524 1.14 . . . . 0.0 109.278 179.931 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -60.59 -47.44 86.2 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.471 1.107 . . . . 0.0 109.275 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . 0.541 ' HD2' HD22 ' A' ' 134' ' ' LEU . 0.3 OUTLIER -50.82 -39.41 53.11 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.44 1.087 . . . . 0.0 109.307 179.967 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . 0.608 ' CE1' HD12 ' A' ' 60' ' ' LEU . 0.6 OUTLIER -76.56 -30.69 57.17 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.542 1.151 . . . . 0.0 110.968 -179.958 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 2.3 p -47.17 -39.33 13.55 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.526 1.141 . . . . 0.0 110.079 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -40.82 -56.36 2.22 Favored 'General case' 0 C--N 1.327 -0.413 0 O-C-N 124.489 1.118 . . . . 0.0 110.036 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -104.91 165.6 10.96 Favored 'General case' 0 C--N 1.323 -0.554 0 O-C-N 124.512 1.133 . . . . 0.0 109.264 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 1.4 m-20 -89.23 122.34 32.41 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.589 1.181 . . . . 0.0 109.23 -179.917 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.772 ' C ' HD23 ' A' ' 60' ' ' LEU . 2.2 tt -108.07 126.02 52.25 Favored 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.55 1.156 . . . . 0.0 109.217 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.543 ' N ' HD23 ' A' ' 60' ' ' LEU . 1.0 OUTLIER -152.5 162.12 2.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 O-C-N 124.541 1.15 . . . . 0.0 109.295 179.984 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . 0.477 ' OG1' HG22 ' A' ' 91' ' ' VAL . 34.5 p -116.83 150.27 38.65 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.441 1.088 . . . . 0.0 110.413 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . 0.428 HG23 HG23 ' A' ' 29' ' ' ILE . 2.1 t -119.94 141.72 38.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.558 1.161 . . . . 0.0 109.319 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . 0.68 ' CB ' ' CZ ' ' A' ' 77' ' ' PHE . . . -134.63 132.53 39.08 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.474 1.109 . . . . 0.0 109.238 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 22.1 m -108.7 107.92 60.44 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.43 1.081 . . . . 0.0 110.044 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 136.84 20.99 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.505 1.792 . . . . 0.0 111.018 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 75.96 2.9 72.97 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.505 1.128 . . . . 0.0 111.053 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . 0.632 ' CE2' HD23 ' A' ' 69' ' ' LEU . 49.8 t80 -117.98 129.99 55.92 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.458 0.74 . . . . 0.0 111.017 179.942 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.632 HD23 ' CE2' ' A' ' 68' ' ' PHE . 1.0 OUTLIER 71.89 35.07 1.4 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 0.0 109.194 179.926 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 10.0 t60 71.07 6.58 5.9 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.461 1.1 . . . . 0.0 109.615 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . 0.423 ' HG3' ' N ' ' A' ' 72' ' ' LYS . 6.7 tp10 -61.87 151.66 33.98 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.534 1.146 . . . . 0.0 110.26 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . 0.423 ' N ' ' HG3' ' A' ' 71' ' ' GLU . 0.1 OUTLIER -63.0 140.61 58.89 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.503 1.127 . . . . 0.0 109.288 179.991 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.44 161.44 11.76 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.496 1.122 . . . . 0.0 109.317 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -51.65 146.39 7.83 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.513 1.133 . . . . 0.0 109.268 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 86.14 -42.76 3.18 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.542 1.151 . . . . 0.0 111.067 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -75.71 -30.56 59.33 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.501 0.765 . . . . 0.0 109.325 179.9 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' PHE . . . . . 0.68 ' CZ ' ' CB ' ' A' ' 64' ' ' ALA . 73.9 t80 -77.67 -56.68 4.32 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.563 1.164 . . . . 0.0 111.001 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 15.1 pt20 -53.31 -29.86 35.81 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.465 1.103 . . . . 0.0 110.285 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -64.91 -33.56 76.32 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.431 1.082 . . . . 0.0 109.347 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' TRP . . . . . 0.502 ' CE3' ' OG ' ' A' ' 34' ' ' SER . 1.9 t90 -70.3 -45.43 66.31 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 107.959 -1.126 . . . . 0.0 107.959 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' TYR . . . . . 0.532 ' CG ' ' CB ' ' A' ' 12' ' ' ALA . 23.2 t80 -54.48 -30.01 51.87 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.431 1.082 . . . . 0.0 111.017 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -64.84 -12.71 51.3 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.618 1.198 . . . . 0.0 109.268 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -111.36 -7.97 23.84 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.596 1.185 . . . . 0.0 111.02 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.606 HD11 ' CH2' ' A' ' 32' ' ' TRP . 12.5 mt -66.26 172.06 4.23 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.484 0.756 . . . . 0.0 109.281 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' ASN . . . . . 0.426 ' O ' ' C ' ' A' ' 86' ' ' TYR . 4.7 m120 -52.49 -175.16 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.483 1.114 . . . . 0.0 109.269 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' TYR . . . . . 0.426 ' C ' ' O ' ' A' ' 85' ' ' ASN . 0.1 OUTLIER -35.85 154.3 0.07 OUTLIER Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.466 1.104 . . . . 0.0 110.959 179.983 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 1.58 7.55 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.504 1.791 . . . . 0.0 111.055 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 3.0 mttm -76.91 -4.19 42.57 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.44 1.088 . . . . 0.0 109.282 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 0.591 HD12 ' HD2' ' A' ' 90' ' ' PRO . 6.5 tp -85.16 119.3 72.3 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.416 1.073 . . . . 0.0 109.249 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 90' ' ' PRO . . . . . 0.591 ' HD2' HD12 ' A' ' 89' ' ' LEU . 18.3 Cg_endo -74.98 127.83 11.01 Favored 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.528 1.804 . . . . 0.0 111.035 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . 0.477 HG22 ' OG1' ' A' ' 62' ' ' THR . 3.0 t -147.29 118.31 1.52 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.534 1.146 . . . . 0.0 109.327 179.952 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . 0.429 ' O ' ' N ' ' A' ' 64' ' ' ALA . 75.4 t -105.4 135.84 41.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.528 1.142 . . . . 0.0 109.291 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 1.6 p -114.01 112.46 23.3 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.422 1.076 . . . . 0.0 110.33 -179.921 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . 0.633 ' HA ' HD12 ' A' ' 9' ' ' LEU . 22.3 t0 -114.76 110.93 20.46 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.514 1.134 . . . . 0.0 109.356 179.923 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 28.2 t-20 -60.13 120.74 10.31 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.5 1.125 . . . . 0.0 109.315 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 83.48 -11.8 54.28 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.543 1.152 . . . . 0.0 110.956 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 56.07 63.16 5.55 Favored Glycine 0 CA--C 1.53 1.01 0 N-CA-C 110.969 -0.853 . . . . 0.0 110.969 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 1.8 m -51.66 -49.35 62.5 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.439 0.729 . . . . 0.0 110.347 -179.942 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 4.3 mt -63.57 -41.87 94.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 O-C-N 124.551 1.157 . . . . 0.0 109.251 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . 0.433 ' O ' ' N ' ' A' ' 104' ' ' ASN . . . -63.35 -44.43 94.87 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.551 1.157 . . . . 0.0 109.282 -179.944 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 5.4 mt-30 -72.25 -38.07 68.97 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.546 1.154 . . . . 0.0 110.284 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 34.7 p -61.49 -30.55 70.68 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.508 1.13 . . . . 0.0 110.009 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . 0.532 HD22 HD13 ' A' ' 123' ' ' ILE . 7.7 mt -103.36 -11.33 17.97 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.503 1.127 . . . . 0.0 109.337 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 104' ' ' ASN . . . . . 0.433 ' N ' ' O ' ' A' ' 100' ' ' ALA . 15.9 t-20 67.05 58.72 0.56 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.473 1.108 . . . . 0.0 109.293 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 105' ' ' ILE . . . . . 0.612 HD12 ' CZ ' ' A' ' 31' ' ' PHE . 35.4 mt -103.62 85.99 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.46 1.1 . . . . 0.0 109.293 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 85.0 p -105.31 26.14 9.77 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.563 1.164 . . . . 0.0 109.945 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 107' ' ' VAL . . . . . 0.428 ' O ' ' OG ' ' A' ' 110' ' ' SER . 1.4 p -140.35 132.83 32.79 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.561 0 O-C-N 124.58 1.175 . . . . 0.0 109.343 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 108' ' ' TYR . . . . . 0.563 ' CE1' ' HB3' ' A' ' 31' ' ' PHE . 21.9 m-85 -130.73 154.4 81.8 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.556 1.16 . . . . 0.0 111.027 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 109' ' ' PRO . . . . . 0.535 ' C ' ' HA ' ' A' ' 108' ' ' TYR . 18.5 Cg_endo -75.01 -178.6 23.96 Favored 'Cis proline' 0 C--N 1.36 1.181 0 C-N-CA 121.034 -2.486 . . . . 0.0 111.06 -0.037 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 110' ' ' SER . . . . . 0.428 ' OG ' ' O ' ' A' ' 107' ' ' VAL . 0.7 OUTLIER -157.77 164.25 37.26 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.349 1.03 . . . . 0.0 109.937 179.998 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 111' ' ' TRP . . . . . 0.479 ' CE2' ' HG3' ' A' ' 30' ' ' LYS . 71.7 m95 -137.82 137.51 38.24 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.544 1.153 . . . . 0.0 107.998 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 112' ' ' ALA . . . . . 0.492 ' HB3' ' HB ' ' A' ' 29' ' ' ILE . . . -128.65 138.72 52.32 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.439 1.087 . . . . 0.0 109.258 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 20.7 tp -108.79 135.76 49.48 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.543 1.152 . . . . 0.0 109.328 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 114' ' ' ILE . . . . . 0.754 HD13 ' HA ' ' A' ' 120' ' ' VAL . 36.4 mm -121.72 122.11 66.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.603 1.189 . . . . 0.0 109.275 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 115' ' ' GLY . . . . . 0.438 ' N ' ' O ' ' A' ' 119' ' ' ASP . . . -49.6 168.96 0.2 Allowed Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.503 1.127 . . . . 0.0 110.968 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.3 -15.25 63.49 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.533 0.784 . . . . 0.0 109.325 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -81.43 -21.2 39.04 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.583 1.177 . . . . 0.0 109.315 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . 99.54 31.07 6.24 Favored Glycine 0 CA--C 1.529 0.941 0 O-C-N 124.568 1.168 . . . . 0.0 111.019 179.931 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 119' ' ' ASP . . . . . 0.438 ' O ' ' N ' ' A' ' 115' ' ' GLY . 3.1 p-10 -124.18 160.68 27.33 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.47 0.747 . . . . 0.0 109.251 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 120' ' ' VAL . . . . . 0.754 ' HA ' HD13 ' A' ' 114' ' ' ILE . 56.1 t -60.25 117.55 2.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.544 1.152 . . . . 0.0 109.332 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -97.34 -52.81 3.67 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.528 1.142 . . . . 0.0 110.354 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -149.05 157.46 43.42 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.587 1.179 . . . . 0.0 110.303 179.946 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 123' ' ' ILE . . . . . 0.532 HD13 HD22 ' A' ' 103' ' ' LEU . 1.1 tt -119.98 137.95 52.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.476 1.11 . . . . 0.0 109.291 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 72.3 t -135.4 131.1 51.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.549 1.156 . . . . 0.0 109.279 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -120.78 132.1 54.85 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.498 1.124 . . . . 0.0 109.26 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . 123.36 -147.18 16.63 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.484 1.115 . . . . 0.0 111.015 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -127.75 150.16 49.92 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.548 0.793 . . . . 0.0 110.118 179.953 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 128' ' ' ILE . . . . . 0.444 HG22 ' NE2' ' A' ' 132' ' ' GLN . 7.2 pt -131.74 162.55 39.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.448 1.093 . . . . 0.0 109.31 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 129' ' ' ASN . . . . . . . . . . . . . 2.0 p30 -107.01 166.81 10.34 Favored 'General case' 0 C--N 1.323 -0.552 0 O-C-N 124.506 1.129 . . . . 0.0 109.34 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 13.2 tt0 -52.5 -39.29 61.09 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.528 1.142 . . . . 0.0 110.216 -179.886 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -60.5 -50.05 75.09 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.443 1.089 . . . . 0.0 109.272 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 132' ' ' GLN . . . . . 0.444 ' NE2' HG22 ' A' ' 128' ' ' ILE . 26.9 mt-30 -51.01 -44.99 61.07 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.437 1.085 . . . . 0.0 110.317 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 133' ' ' ALA . . . . . 0.474 ' O ' HD12 ' A' ' 137' ' ' ILE . . . -53.47 -49.89 66.48 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.441 1.088 . . . . 0.0 109.286 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 134' ' ' LEU . . . . . 0.541 HD22 ' HD2' ' A' ' 54' ' ' LYS . 11.0 mt -54.01 -52.29 61.28 Favored 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.525 1.14 . . . . 0.0 109.375 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -59.94 -34.16 72.88 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.552 1.158 . . . . 0.0 109.305 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -65.36 -48.14 74.01 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.467 1.105 . . . . 0.0 109.337 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 137' ' ' ILE . . . . . 0.474 HD12 ' O ' ' A' ' 133' ' ' ALA . 3.6 mt -70.64 -22.28 23.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.524 1.14 . . . . 0.0 109.33 179.948 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -80.61 -47.49 14.05 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.398 1.061 . . . . 0.0 110.257 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 39.0 t0 -163.67 125.47 1.55 Allowed Pre-proline 0 C--N 1.324 -0.521 0 O-C-N 124.502 1.126 . . . . 0.0 109.387 179.941 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.93 -4.99 16.24 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.42 1.747 . . . . 0.0 110.97 -179.935 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 141' ' ' ASN . . . . . . . . . . . . . 84.0 m-20 -86.03 -24.38 26.41 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.587 1.179 . . . . 0.0 109.275 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -53.77 110.72 0.62 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.59 1.181 . . . . 0.0 109.396 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 143' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -45.28 146.0 1.02 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.491 1.12 . . . . 0.0 109.295 -179.922 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 4.5 mt . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.516 1.135 . . . . 0.0 109.293 -179.989 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.8 ttm . . . . . 0 N--CA 1.452 -0.362 0 CA-C-O 120.501 0.191 . . . . 0.0 111.025 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 3.1 m -141.37 65.68 22.1 Favored Pre-proline 0 C--N 1.326 -0.441 0 O-C-N 124.499 1.124 . . . . 0.0 109.26 -179.885 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.94 -51.66 0.12 Allowed 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.455 1.766 . . . . 0.0 110.895 -179.939 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . 0.435 ' O ' ' N ' ' A' ' 8' ' ' THR . 30.5 m-70 -49.55 -46.85 49.25 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.565 1.166 . . . . 0.0 109.539 -179.86 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 22.1 m -59.03 -50.85 72.51 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.465 1.103 . . . . 0.0 110.476 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.688 HD21 HD21 ' A' ' 21' ' ' LEU . 1.0 OUTLIER -57.4 -48.1 79.98 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.523 1.139 . . . . 0.0 109.324 179.967 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -68.84 -24.07 64.32 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.489 1.118 . . . . 0.0 110.031 179.911 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . 0.435 ' N ' ' O ' ' A' ' 4' ' ' HIS . 5.6 m -80.58 -18.87 46.96 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.529 1.143 . . . . 0.0 110.467 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.416 HD23 ' HA ' ' A' ' 9' ' ' LEU . 14.9 mt -70.06 148.05 49.27 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.581 1.175 . . . . 0.0 109.319 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 10.3 mttm -125.71 150.42 47.69 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.495 1.122 . . . . 0.0 109.307 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . 0.409 ' HA ' ' O ' ' A' ' 91' ' ' VAL . 16.9 p -77.44 179.97 6.14 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.55 1.156 . . . . 0.0 110.461 179.915 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -73.3 -5.15 37.68 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.519 1.137 . . . . 0.0 109.379 179.946 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -104.52 24.34 11.84 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.421 1.075 . . . . 0.0 109.24 -179.921 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER 48.96 41.6 19.16 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.482 1.114 . . . . 0.0 109.361 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -117.99 155.63 50.98 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.58 1.175 . . . . 0.0 110.277 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.07 135.69 19.28 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.461 1.769 . . . . 0.0 111.047 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.533 ' HA ' ' CZ ' ' A' ' 20' ' ' TYR . . . -59.48 -26.95 65.68 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.549 1.155 . . . . 0.0 109.354 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . 0.44 ' HA ' ' CB ' ' A' ' 21' ' ' LEU . 78.0 p -54.94 -24.98 26.41 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.511 1.132 . . . . 0.0 109.987 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 2.8 t -44.94 -42.09 2.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.47 1.106 . . . . 0.0 109.187 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . 0.763 ' CE1' HD13 ' A' ' 61' ' ' ILE . 2.8 p90 -112.85 -12.06 13.36 Favored 'General case' 0 C--N 1.323 -0.547 0 O-C-N 124.523 1.139 . . . . 0.0 111.029 -179.946 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.688 HD21 HD21 ' A' ' 6' ' ' LEU . 0.2 OUTLIER -76.24 118.43 18.95 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.535 1.147 . . . . 0.0 109.283 -179.929 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . 0.429 ' O ' ' N ' ' A' ' 24' ' ' ASP . 18.3 mttm -113.83 110.9 20.87 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.437 1.086 . . . . 0.0 109.294 -179.954 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.67 57.78 0.13 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.484 1.115 . . . . 0.0 109.261 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . 0.429 ' N ' ' O ' ' A' ' 22' ' ' LYS . 1.0 OUTLIER 167.59 38.39 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.541 1.151 . . . . 0.0 109.29 179.981 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 1.3 mtpt -166.22 161.26 12.54 Favored Pre-proline 0 C--N 1.324 -0.53 0 O-C-N 124.432 1.083 . . . . 0.0 109.291 -179.935 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 144.23 29.94 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.463 1.77 . . . . 0.0 111.026 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . 0.447 ' OG1' ' ND2' ' A' ' 59' ' ' ASN . 89.3 m -126.11 133.95 51.49 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.483 1.114 . . . . 0.0 110.39 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.823 HD21 ' CE3' ' A' ' 111' ' ' TRP . 2.2 tp -115.52 134.66 54.86 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.471 1.107 . . . . 0.0 109.295 -179.944 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.527 ' HB ' ' HB3' ' A' ' 112' ' ' ALA . 5.3 mt -115.79 145.57 21.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.567 1.167 . . . . 0.0 109.307 -179.953 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.531 ' HD3' ' CZ2' ' A' ' 111' ' ' TRP . 0.4 OUTLIER -136.57 111.03 8.53 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.485 1.116 . . . . 0.0 109.314 -179.93 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . 0.652 ' CE1' HD11 ' A' ' 105' ' ' ILE . 50.7 m-85 -86.51 132.24 33.97 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.54 1.15 . . . . 0.0 110.959 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' TRP . . . . . 0.958 ' CZ3' HD11 ' A' ' 43' ' ' LEU . 9.7 p-90 -136.75 170.2 16.48 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.496 1.123 . . . . 0.0 107.997 179.948 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -125.79 149.01 48.94 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.452 1.095 . . . . 0.0 109.282 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . 0.516 ' HA ' HD11 ' A' ' 40' ' ' LEU . 0.1 OUTLIER -78.38 -33.26 49.0 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.463 1.102 . . . . 0.0 109.974 -179.995 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 19.8 p-90 -73.58 -6.55 47.29 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.501 1.126 . . . . 0.0 108.049 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . 0.582 ' O ' HD12 ' A' ' 40' ' ' LEU . 48.7 t -97.37 110.75 55.97 Favored Pre-proline 0 C--N 1.326 -0.437 0 O-C-N 124.52 1.138 . . . . 0.0 108.285 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -41.66 0.62 Allowed 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.497 1.788 . . . . 0.0 111.03 179.926 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 2.0 tm? -57.73 -33.17 68.16 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.457 1.098 . . . . 0.0 109.27 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 1.3 m -72.89 -51.42 18.72 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.471 1.107 . . . . 0.0 108.313 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.582 HD12 ' O ' ' A' ' 36' ' ' CYS . 0.6 OUTLIER -52.25 -35.06 48.86 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.525 1.141 . . . . 0.0 109.24 -179.995 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.7 m -73.41 -25.66 60.63 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.523 1.139 . . . . 0.0 109.959 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -84.04 -15.32 47.96 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.547 1.154 . . . . 0.0 110.296 -179.94 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.958 HD11 ' CZ3' ' A' ' 32' ' ' TRP . 60.3 mt -56.96 -55.02 40.0 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.552 1.157 . . . . 0.0 109.315 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -49.93 -50.27 33.2 Favored Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.485 1.116 . . . . 0.0 110.968 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 1.3 tt0 -63.35 -29.32 70.64 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.521 0.777 . . . . 0.0 110.341 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 51.8 m -72.85 -37.25 67.45 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.47 1.107 . . . . 0.0 110.384 179.948 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 27.6 tt0 -67.09 -28.66 68.36 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.496 1.123 . . . . 0.0 110.278 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 11.2 tttt -78.28 -29.22 47.84 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.482 1.113 . . . . 0.0 109.249 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' TRP . . . . . 0.484 ' HB3' ' CE2' ' A' ' 55' ' ' PHE . 45.0 m0 -75.56 -28.08 58.87 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.478 1.111 . . . . 0.0 108.031 -179.932 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -74.31 -9.24 58.4 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.125 . . . . 0.0 109.268 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 10.5 mm-40 -105.09 -12.78 15.98 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.461 1.101 . . . . 0.0 110.225 -179.942 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 2.7 t70 -69.25 128.47 36.7 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.487 1.117 . . . . 0.0 109.277 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -53.94 -48.36 70.32 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.47 1.106 . . . . 0.0 109.353 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . 0.555 ' CG ' HD22 ' A' ' 134' ' ' LEU . 0.0 OUTLIER -49.19 -40.62 34.04 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.458 1.099 . . . . 0.0 109.291 179.997 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . 0.7 ' CZ ' ' CB ' ' A' ' 133' ' ' ALA . 2.2 m-85 -76.59 -28.34 56.14 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.515 1.134 . . . . 0.0 111.065 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . 0.4 ' O ' ' C ' ' A' ' 57' ' ' SER . 5.0 t -53.67 -40.19 65.71 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.475 1.11 . . . . 0.0 110.026 179.931 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . 0.4 ' C ' ' O ' ' A' ' 56' ' ' SER . 0.3 OUTLIER -39.04 -37.1 0.34 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.502 1.126 . . . . 0.0 110.04 179.936 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -125.17 165.64 17.89 Favored 'General case' 0 C--N 1.327 -0.411 0 O-C-N 124.492 1.12 . . . . 0.0 109.219 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . 0.447 ' ND2' ' OG1' ' A' ' 27' ' ' THR . 0.3 OUTLIER -89.08 124.11 34.0 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.574 1.171 . . . . 0.0 109.235 -179.988 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.75 ' C ' HD23 ' A' ' 60' ' ' LEU . 2.9 tt -111.72 127.42 55.77 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.555 1.159 . . . . 0.0 109.251 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.881 HD12 HG21 ' A' ' 92' ' ' VAL . 5.8 pt -152.35 161.0 3.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.464 1.102 . . . . 0.0 109.291 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . 0.413 ' HA ' ' O ' ' A' ' 30' ' ' LYS . 32.5 p -113.26 155.58 24.84 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.509 1.131 . . . . 0.0 110.404 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . 0.509 HG23 HG23 ' A' ' 29' ' ' ILE . 2.9 t -125.44 143.24 39.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.493 1.121 . . . . 0.0 109.317 179.917 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . 0.461 ' N ' ' O ' ' A' ' 92' ' ' VAL . . . -134.27 150.13 50.98 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.541 1.15 . . . . 0.0 109.306 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . 0.47 ' CB ' ' HB3' ' A' ' 68' ' ' PHE . 2.9 m -121.68 108.83 34.81 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.529 1.143 . . . . 0.0 109.982 -179.946 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . 0.453 ' HA ' ' O ' ' A' ' 72' ' ' LYS . 18.4 Cg_endo -74.96 134.88 18.42 Favored 'Trans proline' 0 C--N 1.359 1.116 0 O-C-N 124.55 1.816 . . . . 0.0 110.989 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 62.89 15.74 55.83 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.512 1.133 . . . . 0.0 110.986 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . 0.498 ' CE1' ' HB2' ' A' ' 69' ' ' LEU . 2.9 t80 -123.66 131.65 53.66 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.481 0.754 . . . . 0.0 111.029 179.939 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.973 HD23 ' CE2' ' A' ' 108' ' ' TYR . 6.2 tp 67.79 48.84 0.99 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.464 1.103 . . . . 0.0 109.266 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 98.0 m-70 55.75 23.6 6.49 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.513 1.133 . . . . 0.0 109.641 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . 0.436 ' HG3' ' N ' ' A' ' 72' ' ' LYS . 5.5 tp10 -88.53 154.7 20.14 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.426 1.079 . . . . 0.0 110.302 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . 0.453 ' O ' ' HA ' ' A' ' 66' ' ' PRO . 0.2 OUTLIER -59.21 141.56 53.97 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.448 1.092 . . . . 0.0 109.311 179.97 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.36 162.28 17.95 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.554 1.159 . . . . 0.0 109.248 -179.915 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -56.08 161.84 2.2 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.512 1.133 . . . . 0.0 109.273 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 78.13 -52.13 3.65 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.53 1.144 . . . . 0.0 110.978 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -63.62 -52.16 62.08 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.544 0.79 . . . . 0.0 109.297 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 68.6 t80 -59.29 -26.97 65.43 Favored 'General case' 0 C--N 1.327 -0.403 0 O-C-N 124.343 1.027 . . . . 0.0 110.992 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 8.3 mt-30 -67.99 -34.88 77.38 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.512 1.133 . . . . 0.0 110.312 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 3.3 mtmt -73.03 -40.2 65.34 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.464 1.103 . . . . 0.0 109.26 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' TRP . . . . . 0.663 ' CD1' HD23 ' A' ' 84' ' ' LEU . 1.2 t90 -54.87 -51.23 66.6 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.565 1.166 . . . . 0.0 107.99 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 62.1 t80 -54.3 -40.31 67.79 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.533 1.146 . . . . 0.0 110.983 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -75.85 -1.4 25.07 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.53 1.144 . . . . 0.0 109.337 -179.934 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -94.28 -26.98 12.65 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.47 1.106 . . . . 0.0 111.043 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.663 HD23 ' CD1' ' A' ' 80' ' ' TRP . 2.2 pp -105.36 152.73 22.59 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.557 0.798 . . . . 0.0 109.346 179.941 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' ASN . . . . . 0.506 ' O ' HD12 ' A' ' 84' ' ' LEU . 0.7 OUTLIER -80.6 -166.64 1.13 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.383 1.052 . . . . 0.0 109.3 179.92 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' TYR . . . . . 0.455 ' N ' ' HD3' ' A' ' 87' ' ' PRO . 7.4 m-85 68.61 60.91 0.66 Allowed Pre-proline 0 C--N 1.326 -0.438 0 O-C-N 124.533 1.145 . . . . 0.0 110.959 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' PRO . . . . . 0.455 ' HD3' ' N ' ' A' ' 86' ' ' TYR . 18.2 Cg_endo -75.02 -9.6 20.82 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.436 1.756 . . . . 0.0 111.014 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -77.17 -2.65 35.5 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.507 1.129 . . . . 0.0 109.234 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 0.939 HD12 ' HD2' ' A' ' 90' ' ' PRO . 4.7 tp -84.94 129.87 54.7 Favored Pre-proline 0 C--N 1.324 -0.531 0 O-C-N 124.533 1.146 . . . . 0.0 109.371 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 90' ' ' PRO . . . . . 0.939 ' HD2' HD12 ' A' ' 89' ' ' LEU . 18.5 Cg_endo -74.94 126.53 10.07 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.47 1.773 . . . . 0.0 111.019 -179.95 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . 0.409 ' O ' ' HA ' ' A' ' 11' ' ' THR . 58.2 t -138.01 125.56 29.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.486 1.116 . . . . 0.0 109.35 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . 0.881 HG21 HD12 ' A' ' 61' ' ' ILE . 47.5 t -118.46 127.02 75.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.423 1.077 . . . . 0.0 109.373 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 3.4 p -106.59 117.53 34.29 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.511 1.132 . . . . 0.0 110.347 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . 0.4 ' O ' ' HD2' ' A' ' 66' ' ' PRO . 63.7 t0 -114.84 109.95 18.94 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.512 1.132 . . . . 0.0 109.334 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 19.1 t-20 -63.98 117.97 7.78 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.43 1.081 . . . . 0.0 109.297 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 88.6 -31.48 4.88 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.493 1.12 . . . . 0.0 111.011 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 77.17 81.41 0.6 Allowed Glycine 0 CA--C 1.531 1.032 0 N-CA-C 110.954 -0.858 . . . . 0.0 110.954 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 1.8 m -75.93 -38.94 57.11 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.491 0.759 . . . . 0.0 110.419 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 2.8 mp -77.54 -36.46 23.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.52 1.137 . . . . 0.0 109.253 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -63.23 -38.51 91.47 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.476 1.11 . . . . 0.0 109.32 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 101' ' ' GLN . . . . . 0.405 ' HG3' ' N ' ' A' ' 102' ' ' SER . 18.7 pt20 -80.35 -38.4 30.6 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.472 1.108 . . . . 0.0 110.245 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . 0.405 ' N ' ' HG3' ' A' ' 101' ' ' GLN . 18.3 t -56.37 -41.49 76.28 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.469 1.105 . . . . 0.0 110.003 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . 0.779 HD22 HD11 ' A' ' 123' ' ' ILE . 5.5 mt -87.07 -19.4 28.65 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.515 1.134 . . . . 0.0 109.387 179.95 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 21.0 t30 68.28 53.41 0.6 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.476 1.11 . . . . 0.0 109.307 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 105' ' ' ILE . . . . . 0.652 HD11 ' CE1' ' A' ' 31' ' ' PHE . 68.3 mt -73.23 -100.43 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 O-C-N 124.515 1.134 . . . . 0.0 109.207 -179.942 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . 0.535 ' CB ' ' O ' ' A' ' 105' ' ' ILE . 1.3 p 87.55 -18.89 0.26 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.519 1.137 . . . . 0.0 110.024 -179.896 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 5.0 m -110.36 131.78 60.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.124 . . . . 0.0 109.226 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 108' ' ' TYR . . . . . 0.973 ' CE2' HD23 ' A' ' 69' ' ' LEU . 20.9 m-85 -131.81 152.16 79.83 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.525 1.14 . . . . 0.0 111.033 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 109' ' ' PRO . . . . . 0.538 ' C ' ' HA ' ' A' ' 108' ' ' TYR . 18.5 Cg_endo -75.0 169.79 73.6 Favored 'Cis proline' 0 C--N 1.36 1.141 0 C-N-CA 121.015 -2.494 . . . . 0.0 111.008 0.002 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -144.84 163.05 35.25 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.509 1.131 . . . . 0.0 109.946 -179.923 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 111' ' ' TRP . . . . . 0.823 ' CE3' HD21 ' A' ' 28' ' ' LEU . 33.4 m95 -134.92 138.37 44.03 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.533 1.146 . . . . 0.0 107.939 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 112' ' ' ALA . . . . . 0.527 ' HB3' ' HB ' ' A' ' 29' ' ' ILE . . . -129.34 135.84 49.24 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.486 1.116 . . . . 0.0 109.295 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 50.4 tp -109.14 132.26 54.28 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.487 1.117 . . . . 0.0 109.33 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 114' ' ' ILE . . . . . 0.595 HD13 ' HA ' ' A' ' 120' ' ' VAL . 35.0 mm -121.36 125.83 74.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.492 1.12 . . . . 0.0 109.284 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 115' ' ' GLY . . . . . 0.473 ' CA ' ' HG3' ' A' ' 121' ' ' GLN . . . -54.3 165.99 2.45 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.522 1.139 . . . . 0.0 110.949 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -67.14 -14.38 62.85 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.491 0.759 . . . . 0.0 109.333 179.944 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -83.29 -23.41 32.64 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.484 1.115 . . . . 0.0 109.34 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . 102.48 28.29 6.43 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.468 1.105 . . . . 0.0 111.06 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 5.6 p-10 -118.04 154.55 31.85 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.564 0.803 . . . . 0.0 109.298 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 120' ' ' VAL . . . . . 0.595 ' HA ' HD13 ' A' ' 114' ' ' ILE . 81.2 t -60.87 115.73 1.61 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.437 1.086 . . . . 0.0 109.292 -179.901 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 121' ' ' GLN . . . . . 0.473 ' HG3' ' CA ' ' A' ' 115' ' ' GLY . 3.2 mt-30 -89.92 -60.3 1.97 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.506 1.129 . . . . 0.0 110.349 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -148.89 156.88 42.94 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.466 1.104 . . . . 0.0 110.275 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 123' ' ' ILE . . . . . 0.779 HD11 HD22 ' A' ' 103' ' ' LEU . 8.3 mm -121.76 134.74 64.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.503 1.127 . . . . 0.0 109.281 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 71.6 t -127.92 115.35 38.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.542 1.151 . . . . 0.0 109.273 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -95.32 137.02 34.95 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.511 1.132 . . . . 0.0 109.286 179.952 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . 109.1 -152.02 17.08 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.448 1.093 . . . . 0.0 111.027 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 1.3 m -118.81 159.02 24.49 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.503 0.766 . . . . 0.0 109.941 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 128' ' ' ILE . . . . . 0.823 HG22 ' NE2' ' A' ' 132' ' ' GLN . 3.4 pt -137.27 166.78 24.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.556 1.16 . . . . 0.0 109.366 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 129' ' ' ASN . . . . . 0.724 ' ND2' ' HB3' ' A' ' 131' ' ' ALA . 1.4 p-10 -107.5 167.89 9.62 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.496 1.123 . . . . 0.0 109.34 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 130' ' ' GLU . . . . . 0.422 ' HB2' ' CZ2' ' A' ' 49' ' ' TRP . 29.1 tt0 -51.58 -44.77 62.89 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.475 1.109 . . . . 0.0 110.399 179.928 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 131' ' ' ALA . . . . . 0.724 ' HB3' ' ND2' ' A' ' 129' ' ' ASN . . . -55.28 -50.23 70.07 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.612 1.195 . . . . 0.0 109.32 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 132' ' ' GLN . . . . . 0.823 ' NE2' HG22 ' A' ' 128' ' ' ILE . 23.6 mt-30 -51.46 -44.23 62.33 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.514 1.134 . . . . 0.0 110.295 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 133' ' ' ALA . . . . . 0.7 ' CB ' ' CZ ' ' A' ' 55' ' ' PHE . . . -55.96 -46.13 78.7 Favored 'General case' 0 C--N 1.323 -0.547 0 O-C-N 124.476 1.11 . . . . 0.0 109.306 179.926 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 134' ' ' LEU . . . . . 0.555 HD22 ' CG ' ' A' ' 54' ' ' LYS . 36.7 mt -60.08 -51.51 69.31 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.4 1.062 . . . . 0.0 109.347 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -60.44 -27.79 67.78 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.426 1.079 . . . . 0.0 109.335 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 136' ' ' LEU . . . . . 0.58 HD21 HD13 ' A' ' 28' ' ' LEU . 0.3 OUTLIER -72.13 -45.49 60.32 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.461 1.101 . . . . 0.0 109.254 -179.923 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 137' ' ' ILE . . . . . . . . . . . . . 6.4 mt -72.51 -21.42 19.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.512 1.133 . . . . 0.0 109.332 179.915 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -83.0 -47.58 11.56 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.525 1.141 . . . . 0.0 110.295 -179.934 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -166.36 131.19 1.75 Allowed Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.533 1.146 . . . . 0.0 109.273 179.934 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.98 -13.04 21.56 Favored 'Trans proline' 0 C--N 1.359 1.114 0 O-C-N 124.488 1.783 . . . . 0.0 111.011 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 141' ' ' ASN . . . . . . . . . . . . . 72.1 m-80 -81.19 -20.92 40.14 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.526 1.141 . . . . 0.0 109.283 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -57.05 164.77 1.5 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.486 1.116 . . . . 0.0 109.249 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 143' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 61.75 118.32 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.477 1.111 . . . . 0.0 109.278 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.324 -0.509 0 O-C-N 124.545 1.153 . . . . 0.0 109.236 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.318 0 CA-C-O 120.482 0.182 . . . . 0.0 111.048 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . 0.434 ' N ' ' HD3' ' A' ' 3' ' ' PRO . 19.6 m -136.02 63.57 51.48 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.45 1.094 . . . . 0.0 109.366 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . 0.434 ' HD3' ' N ' ' A' ' 2' ' ' VAL . 18.3 Cg_endo -74.96 -63.46 0.03 OUTLIER 'Trans proline' 0 C--N 1.361 1.2 0 O-C-N 124.431 1.753 . . . . 0.0 110.994 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . 0.424 ' O ' ' N ' ' A' ' 8' ' ' THR . 3.8 p80 -74.48 -29.49 61.46 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.481 1.113 . . . . 0.0 109.628 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -58.06 -51.82 68.08 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.439 1.087 . . . . 0.0 110.377 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -68.29 -41.43 81.0 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.472 1.107 . . . . 0.0 109.323 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 4.8 t -66.33 -23.14 66.31 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.537 1.148 . . . . 0.0 110.035 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . 0.424 ' N ' ' O ' ' A' ' 4' ' ' HIS . 3.2 m -72.78 -37.18 67.68 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.415 1.072 . . . . 0.0 110.393 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.508 HD13 ' HA ' ' A' ' 9' ' ' LEU . 1.9 mm? -50.78 131.63 26.1 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.52 1.138 . . . . 0.0 109.278 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 10.9 mtmm -105.17 153.97 20.82 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.476 1.11 . . . . 0.0 109.347 179.909 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . 0.42 ' HA ' ' O ' ' A' ' 91' ' ' VAL . 41.3 p -81.53 176.79 9.38 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.496 1.122 . . . . 0.0 110.438 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -72.52 -14.28 61.61 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.489 1.118 . . . . 0.0 109.357 179.938 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 8.5 p-10 -99.87 27.22 5.61 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.423 1.077 . . . . 0.0 109.374 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER 47.32 64.7 1.48 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.616 1.197 . . . . 0.0 109.249 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 1.1 mtt-85 -139.35 150.05 62.72 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.462 1.101 . . . . 0.0 110.349 179.923 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . 0.85 ' O ' HG23 ' A' ' 19' ' ' VAL . 18.3 Cg_endo -75.06 128.97 11.86 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.521 1.801 . . . . 0.0 111.042 179.954 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -55.06 -22.91 17.59 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.523 1.14 . . . . 0.0 109.35 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -61.08 -19.51 61.51 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.542 1.151 . . . . 0.0 109.98 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.85 HG23 ' O ' ' A' ' 16' ' ' PRO . 44.3 t -43.42 -43.52 1.52 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.522 1.139 . . . . 0.0 109.27 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . 0.53 ' CZ ' HG21 ' A' ' 61' ' ' ILE . 8.3 p90 -111.35 -11.51 14.15 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.381 1.051 . . . . 0.0 111.016 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.498 ' O ' ' CB ' ' A' ' 22' ' ' LYS . 0.4 OUTLIER -89.34 107.03 18.83 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.509 1.13 . . . . 0.0 109.329 179.942 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . 0.498 ' CB ' ' O ' ' A' ' 21' ' ' LEU . 0.0 OUTLIER 163.35 -174.62 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.489 1.118 . . . . 0.0 109.222 -179.989 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER 67.88 24.84 7.97 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.514 1.134 . . . . 0.0 109.297 -179.938 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 58.7 m-20 44.05 39.11 2.59 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.555 1.16 . . . . 0.0 109.342 -179.937 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -104.69 161.14 23.71 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.362 1.038 . . . . 0.0 109.357 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 156.09 43.02 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.528 1.804 . . . . 0.0 111.026 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . 0.447 HG23 ' HB2' ' A' ' 59' ' ' ASN . 81.3 m -133.25 139.63 47.05 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.404 1.065 . . . . 0.0 110.351 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.616 HD12 ' O ' ' A' ' 112' ' ' ALA . 47.1 tp -120.09 136.19 54.67 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.431 1.082 . . . . 0.0 109.269 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.541 HG23 HG23 ' A' ' 63' ' ' VAL . 2.5 mt -113.88 148.59 16.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.467 1.104 . . . . 0.0 109.266 -179.955 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.407 ' HA ' ' O ' ' A' ' 110' ' ' SER . 12.3 tttt -138.78 113.07 8.75 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.44 1.087 . . . . 0.0 109.339 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . 0.593 ' HB3' ' CE1' ' A' ' 108' ' ' TYR . 70.6 m-85 -87.4 131.36 34.33 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.485 1.115 . . . . 0.0 111.011 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' TRP . . . . . 1.046 ' CZ3' HD11 ' A' ' 43' ' ' LEU . 11.0 p-90 -136.78 170.14 16.58 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.526 1.141 . . . . 0.0 108.013 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -128.42 151.42 49.4 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.597 1.186 . . . . 0.0 109.349 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -79.71 -28.34 40.62 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.504 1.127 . . . . 0.0 110.006 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 45.5 p-90 -82.11 0.64 39.77 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 107.945 -1.132 . . . . 0.0 107.945 -179.889 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 47.4 t -100.41 108.94 55.35 Favored Pre-proline 0 C--N 1.324 -0.531 0 O-C-N 124.492 1.12 . . . . 0.0 108.255 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.0 -29.66 7.99 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.498 1.789 . . . . 0.0 110.962 179.934 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.447 ' O ' HD22 ' A' ' 38' ' ' LEU . 1.5 tm? -68.25 -30.9 70.04 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.439 1.087 . . . . 0.0 109.284 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 1.3 m -78.33 -44.02 26.27 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.55 1.156 . . . . 0.0 108.298 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.582 HD23 HD12 ' A' ' 43' ' ' LEU . 4.4 mt -51.61 -42.94 62.35 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.525 1.141 . . . . 0.0 109.279 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 82.0 p -68.23 -26.09 65.53 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.539 1.149 . . . . 0.0 109.953 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . 0.404 ' O ' ' N ' ' A' ' 46' ' ' THR . 1.5 tt0 -84.49 -23.58 29.79 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.567 1.167 . . . . 0.0 110.271 -179.919 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 1.046 HD11 ' CZ3' ' A' ' 32' ' ' TRP . 76.4 mt -49.43 -54.77 15.83 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.49 1.118 . . . . 0.0 109.316 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -55.63 -51.17 56.67 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.564 1.165 . . . . 0.0 110.972 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 2.8 tp-100 -61.22 -33.78 74.05 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.486 0.757 . . . . 0.0 110.328 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . 0.404 ' N ' ' O ' ' A' ' 42' ' ' GLU . 31.6 m -68.02 -35.11 77.74 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.53 1.144 . . . . 0.0 110.428 179.854 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . 0.446 ' CG ' ' HB2' ' A' ' 89' ' ' LEU . 60.3 tt0 -67.57 -32.44 73.2 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.457 1.098 . . . . 0.0 110.289 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.9 -31.9 51.47 Favored 'General case' 0 C--N 1.323 -0.55 0 O-C-N 124.583 1.177 . . . . 0.0 109.288 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' TRP . . . . . 0.512 ' CE2' ' HB2' ' A' ' 130' ' ' GLU . 46.8 m0 -77.59 -28.58 51.69 Favored 'General case' 0 C--N 1.325 -0.5 0 N-CA-C 107.988 -1.115 . . . . 0.0 107.988 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -76.83 -17.35 59.05 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.482 1.114 . . . . 0.0 109.282 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -109.43 3.88 21.85 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.475 1.11 . . . . 0.0 110.325 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . 0.428 ' O ' ' N ' ' A' ' 56' ' ' SER . 0.9 OUTLIER -73.15 134.2 44.35 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.461 1.101 . . . . 0.0 109.244 -179.895 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -53.22 -52.01 60.3 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.535 1.147 . . . . 0.0 109.324 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . 0.549 ' CG ' HD22 ' A' ' 134' ' ' LEU . 0.6 OUTLIER -49.0 -43.8 40.64 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.506 1.129 . . . . 0.0 109.243 179.969 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . 0.943 ' CE1' HD12 ' A' ' 60' ' ' LEU . 0.1 OUTLIER -77.11 -27.43 54.06 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.501 1.125 . . . . 0.0 111.029 -179.978 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . 0.428 ' N ' ' O ' ' A' ' 52' ' ' ASP . 12.1 t -45.91 -35.67 4.78 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.457 1.098 . . . . 0.0 109.978 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -46.38 -61.78 1.65 Allowed 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.452 1.095 . . . . 0.0 110.044 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -97.29 165.91 11.8 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.446 1.091 . . . . 0.0 109.325 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . 0.447 ' HB2' HG23 ' A' ' 27' ' ' THR . 52.2 m-20 -88.79 130.31 35.39 Favored 'General case' 0 C--N 1.323 -0.547 0 O-C-N 124.565 1.166 . . . . 0.0 109.337 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.943 HD12 ' CE1' ' A' ' 55' ' ' PHE . 5.7 tt -121.16 126.44 49.71 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.455 1.097 . . . . 0.0 109.332 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.612 ' N ' HD23 ' A' ' 60' ' ' LEU . 1.9 pp -150.6 161.26 3.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.454 1.096 . . . . 0.0 109.323 -179.957 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 38.8 p -110.15 156.66 20.31 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.562 1.164 . . . . 0.0 110.428 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . 0.541 HG23 HG23 ' A' ' 29' ' ' ILE . 2.6 t -127.14 142.16 44.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.51 1.131 . . . . 0.0 109.282 -179.948 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . 0.429 ' N ' ' O ' ' A' ' 92' ' ' VAL . . . -133.82 147.31 51.2 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.481 1.113 . . . . 0.0 109.307 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 57.5 p -121.24 108.45 36.08 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.548 1.155 . . . . 0.0 109.95 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.95 136.8 20.99 Favored 'Trans proline' 0 C--N 1.361 1.219 0 O-C-N 124.437 1.756 . . . . 0.0 110.98 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 68.72 11.03 62.08 Favored Glycine 0 CA--C 1.529 0.906 0 O-C-N 124.457 1.098 . . . . 0.0 111.049 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . 0.749 ' CD1' HD23 ' A' ' 69' ' ' LEU . 10.1 t80 -123.91 130.43 52.59 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.51 0.77 . . . . 0.0 110.947 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.749 HD23 ' CD1' ' A' ' 68' ' ' PHE . 2.7 mm? 69.08 48.39 0.69 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.51 1.131 . . . . 0.0 109.259 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 29.9 m-70 53.63 22.54 3.11 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.511 1.132 . . . . 0.0 109.621 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . 0.403 ' OE1' ' HA ' ' A' ' 71' ' ' GLU . 5.5 tp10 -83.52 151.87 25.19 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.43 1.082 . . . . 0.0 110.356 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 5.0 mmtt -60.1 137.27 58.14 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.381 1.05 . . . . 0.0 109.37 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 4.4 mtmt -63.15 165.7 6.92 Favored 'General case' 0 C--N 1.323 -0.566 0 O-C-N 124.522 1.139 . . . . 0.0 109.328 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -54.06 161.25 1.29 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.559 1.162 . . . . 0.0 109.229 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 77.41 -53.03 3.51 Favored Glycine 0 CA--C 1.531 1.087 0 O-C-N 124.491 1.12 . . . . 0.0 110.979 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -61.55 -52.46 64.35 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.528 0.781 . . . . 0.0 109.359 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 59.5 t80 -59.25 -27.16 65.53 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.505 1.128 . . . . 0.0 110.966 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 6.3 mt-30 -69.97 -30.26 67.57 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.486 1.116 . . . . 0.0 110.309 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -81.45 -37.86 27.33 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.511 1.132 . . . . 0.0 109.293 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' TRP . . . . . 0.702 ' CD1' HD21 ' A' ' 84' ' ' LEU . 2.1 t90 -63.02 -46.68 86.45 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.552 1.158 . . . . 0.0 108.078 179.945 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' TYR . . . . . 0.403 ' O ' ' O ' ' A' ' 84' ' ' LEU . 8.2 t80 -68.05 -28.02 67.02 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.541 1.151 . . . . 0.0 110.976 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -81.35 4.74 19.65 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.505 1.128 . . . . 0.0 109.321 179.938 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -115.79 -4.66 18.99 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.401 1.063 . . . . 0.0 110.999 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.702 HD21 ' CD1' ' A' ' 80' ' ' TRP . 0.1 OUTLIER -154.38 168.69 25.79 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.525 0.78 . . . . 0.0 109.364 179.92 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' ASN . . . . . 0.677 ' HB3' HD23 ' A' ' 89' ' ' LEU . 8.0 m-20 68.88 126.83 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.556 1.16 . . . . 0.0 109.317 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' TYR . . . . . 0.406 ' C ' ' H ' ' A' ' 88' ' ' LYS . 7.3 m-85 -74.85 164.67 59.8 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.467 1.105 . . . . 0.0 111.009 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 45.93 1.43 Allowed 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.451 1.764 . . . . 0.0 111.024 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . 0.406 ' H ' ' C ' ' A' ' 86' ' ' TYR . 0.9 OUTLIER -142.03 13.08 2.04 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.458 1.099 . . . . 0.0 109.334 -179.974 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 0.901 HD12 ' HD2' ' A' ' 90' ' ' PRO . 4.5 tp -116.31 127.54 26.68 Favored Pre-proline 0 C--N 1.326 -0.442 0 O-C-N 124.533 1.145 . . . . 0.0 109.357 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 90' ' ' PRO . . . . . 0.901 ' HD2' HD12 ' A' ' 89' ' ' LEU . 18.3 Cg_endo -75.07 127.2 10.44 Favored 'Trans proline' 0 C--N 1.359 1.105 0 O-C-N 124.62 1.852 . . . . 0.0 110.939 -179.941 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . 0.42 ' O ' ' HA ' ' A' ' 11' ' ' THR . 71.1 t -139.0 128.9 31.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.52 1.138 . . . . 0.0 109.368 179.938 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . 0.552 ' CG2' HD13 ' A' ' 61' ' ' ILE . 69.0 t -123.07 129.96 74.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.477 1.111 . . . . 0.0 109.288 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 4.7 p -113.42 117.46 31.79 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.446 1.091 . . . . 0.0 110.449 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 61.4 t0 -114.81 111.49 21.31 Favored 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.473 1.108 . . . . 0.0 109.3 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 1.5 m120 -58.85 113.79 2.23 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.477 1.111 . . . . 0.0 109.321 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 87.41 -18.17 39.21 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.52 1.137 . . . . 0.0 111.032 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 63.31 67.31 2.12 Favored Glycine 0 CA--C 1.531 1.079 0 N-CA-C 111.011 -0.835 . . . . 0.0 111.011 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 98' ' ' THR . . . . . 0.455 ' O ' ' CB ' ' A' ' 102' ' ' SER . 2.4 m -56.3 -34.22 66.3 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.578 0.81 . . . . 0.0 110.442 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 3.3 mt -74.99 -35.48 35.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.541 1.151 . . . . 0.0 109.226 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . 0.493 ' HA ' HD12 ' A' ' 105' ' ' ILE . . . -69.36 -40.2 77.64 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.532 1.145 . . . . 0.0 109.243 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 34.4 mt-30 -80.49 -35.86 34.14 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.508 1.13 . . . . 0.0 110.301 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . 0.455 ' CB ' ' O ' ' A' ' 98' ' ' THR . 4.3 m -61.03 -47.11 87.95 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.541 1.151 . . . . 0.0 110.032 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . 0.61 HD13 HD12 ' A' ' 123' ' ' ILE . 10.4 mt -87.1 -6.69 58.59 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.502 1.126 . . . . 0.0 109.358 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 104' ' ' ASN . . . . . 0.41 ' O ' ' CG ' ' A' ' 104' ' ' ASN . 13.2 t-20 58.14 63.05 1.85 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.547 1.154 . . . . 0.0 109.332 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 105' ' ' ILE . . . . . 0.53 HG12 HD11 ' A' ' 123' ' ' ILE . 9.8 mt -95.63 -77.62 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.541 1.15 . . . . 0.0 109.272 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 1.6 p 53.77 26.01 5.64 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.536 1.147 . . . . 0.0 109.998 -179.928 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 107' ' ' VAL . . . . . 0.412 ' H ' HG22 ' A' ' 105' ' ' ILE . 7.6 p -141.55 132.57 26.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.557 1.161 . . . . 0.0 109.282 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 108' ' ' TYR . . . . . 0.593 ' CE1' ' HB3' ' A' ' 31' ' ' PHE . 15.3 m-85 -131.54 152.71 80.93 Favored Pre-proline 0 C--N 1.326 -0.435 0 O-C-N 124.436 1.085 . . . . 0.0 110.949 -179.922 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 109' ' ' PRO . . . . . 0.534 ' C ' ' HA ' ' A' ' 108' ' ' TYR . 18.4 Cg_endo -75.04 166.99 81.8 Favored 'Cis proline' 0 C--N 1.359 1.105 0 C-N-CA 121.059 -2.475 . . . . 0.0 110.948 0.092 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 110' ' ' SER . . . . . 0.407 ' O ' ' HA ' ' A' ' 30' ' ' LYS . 2.8 m -149.48 151.78 34.52 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.513 1.133 . . . . 0.0 110.009 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 111' ' ' TRP . . . . . . . . . . . . . 60.0 m95 -129.98 138.18 50.7 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.437 1.085 . . . . 0.0 108.073 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 112' ' ' ALA . . . . . 0.616 ' O ' HD12 ' A' ' 28' ' ' LEU . . . -134.53 137.65 44.0 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.573 1.171 . . . . 0.0 109.295 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 36.3 tp -108.46 139.19 43.55 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.422 1.076 . . . . 0.0 109.342 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 114' ' ' ILE . . . . . 0.53 HD13 ' HA ' ' A' ' 120' ' ' VAL . 43.5 mm -121.12 118.84 57.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.516 1.135 . . . . 0.0 109.305 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -41.18 161.88 0.02 OUTLIER Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.48 1.113 . . . . 0.0 111.03 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 9.2 pttt -68.59 -10.61 57.0 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.537 0.787 . . . . 0.0 109.347 179.919 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -89.67 -21.71 22.62 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.504 1.127 . . . . 0.0 109.29 -179.899 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . 102.2 31.92 5.13 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.497 1.123 . . . . 0.0 110.997 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 2.1 p-10 -121.7 149.97 42.46 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.49 0.759 . . . . 0.0 109.304 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 120' ' ' VAL . . . . . 0.53 ' HA ' HD13 ' A' ' 114' ' ' ILE . 29.5 t -55.73 116.96 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.442 1.089 . . . . 0.0 109.332 179.888 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -91.38 -61.99 1.53 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.546 1.154 . . . . 0.0 110.32 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 122' ' ' ARG . . . . . 0.408 ' CZ ' ' CB ' ' A' ' 122' ' ' ARG . 0.2 OUTLIER -158.33 155.06 28.11 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.493 1.121 . . . . 0.0 110.333 179.989 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 123' ' ' ILE . . . . . 0.61 HD12 HD13 ' A' ' 103' ' ' LEU . 2.9 tt -114.12 141.23 31.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.595 1.184 . . . . 0.0 109.328 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 85.6 t -125.41 124.9 67.99 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.555 0 O-C-N 124.509 1.131 . . . . 0.0 109.35 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 3.2 ptpt -105.58 118.0 35.46 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.46 1.1 . . . . 0.0 109.268 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . 131.54 -159.08 23.06 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.493 1.12 . . . . 0.0 110.98 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 1.8 m -117.5 162.78 17.42 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.473 0.749 . . . . 0.0 109.996 -179.916 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 128' ' ' ILE . . . . . . . . . . . . . 10.6 pt -139.01 163.21 27.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.578 1.174 . . . . 0.0 109.217 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 129' ' ' ASN . . . . . 0.506 ' OD1' ' HB3' ' A' ' 131' ' ' ALA . 1.1 p30 -107.71 167.78 9.72 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.464 1.102 . . . . 0.0 109.363 179.914 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 130' ' ' GLU . . . . . 0.512 ' HB2' ' CE2' ' A' ' 49' ' ' TRP . 0.7 OUTLIER -53.69 -31.78 49.21 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.515 1.134 . . . . 0.0 110.259 179.976 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 131' ' ' ALA . . . . . 0.506 ' HB3' ' OD1' ' A' ' 129' ' ' ASN . . . -65.82 -51.6 57.57 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.55 1.156 . . . . 0.0 109.304 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -51.66 -42.46 62.12 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.5 1.125 . . . . 0.0 110.327 179.948 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 133' ' ' ALA . . . . . 0.57 ' HB1' ' CZ ' ' A' ' 55' ' ' PHE . . . -54.54 -45.86 73.51 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.559 1.162 . . . . 0.0 109.247 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 134' ' ' LEU . . . . . 0.549 HD22 ' CG ' ' A' ' 54' ' ' LYS . 8.2 mt -60.44 -48.04 83.48 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.484 1.115 . . . . 0.0 109.324 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -62.36 -26.02 68.22 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.565 1.166 . . . . 0.0 109.272 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 136' ' ' LEU . . . . . 0.437 ' CD2' HD22 ' A' ' 28' ' ' LEU . 9.6 tp -74.1 -44.0 55.58 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.529 1.143 . . . . 0.0 109.369 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 137' ' ' ILE . . . . . 0.414 HD11 ' CD1' ' A' ' 55' ' ' PHE . 5.5 mt -74.44 -21.91 17.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.414 1.071 . . . . 0.0 109.28 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -82.94 -47.56 11.65 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.485 1.116 . . . . 0.0 110.293 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 41.6 t0 -139.49 125.87 12.33 Favored Pre-proline 0 C--N 1.324 -0.534 0 O-C-N 124.51 1.131 . . . . 0.0 109.361 179.923 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -22.07 15.23 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.42 1.747 . . . . 0.0 110.981 179.934 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 141' ' ' ASN . . . . . . . . . . . . . 81.2 m-20 -70.91 -22.81 62.21 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.633 1.208 . . . . 0.0 109.304 -179.944 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -50.32 123.97 9.55 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.453 1.096 . . . . 0.0 109.393 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 143' ' ' ASP . . . . . . . . . . . . . 26.3 t0 -106.9 152.11 24.36 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.489 1.118 . . . . 0.0 109.335 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.324 -0.507 0 O-C-N 124.618 1.199 . . . . 0.0 109.455 -179.891 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 4.7 mtt . . . . . 0 N--CA 1.453 -0.321 0 CA-C-O 120.548 0.213 . . . . 0.0 111.088 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . 0.805 HG22 ' OG1' ' A' ' 5' ' ' THR . 7.4 p -150.98 60.74 4.12 Favored Pre-proline 0 C--N 1.326 -0.436 0 O-C-N 124.58 1.175 . . . . 0.0 109.257 -179.908 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . 0.496 ' HD3' ' N ' ' A' ' 2' ' ' VAL . 18.1 Cg_endo -75.06 -32.15 5.55 Favored 'Trans proline' 0 C--N 1.361 1.214 0 O-C-N 124.449 1.763 . . . . 0.0 110.997 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 6.0 m170 -48.52 -60.22 2.86 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.593 1.183 . . . . 0.0 109.553 -179.945 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.805 ' OG1' HG22 ' A' ' 2' ' ' VAL . 72.4 p -60.76 -50.75 72.23 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.46 1.1 . . . . 0.0 110.307 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.419 HD13 ' HA ' ' A' ' 6' ' ' LEU . 0.0 OUTLIER -51.64 -36.45 46.15 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.424 1.077 . . . . 0.0 109.358 -179.947 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 1.4 m -75.34 -28.17 59.49 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.491 1.12 . . . . 0.0 109.998 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 1.3 m -74.8 -11.79 60.24 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.461 1.1 . . . . 0.0 110.367 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.589 HD11 ' CB ' ' A' ' 94' ' ' ASP . 3.7 mm? -76.42 114.02 14.67 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.508 1.13 . . . . 0.0 109.284 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.41 ' HA ' ' O ' ' A' ' 15' ' ' ARG . 0.4 OUTLIER -100.31 150.48 22.53 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.547 1.155 . . . . 0.0 109.253 179.956 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . 0.571 HG22 HG22 ' A' ' 92' ' ' VAL . 34.3 p -88.62 175.2 7.64 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.502 1.126 . . . . 0.0 110.379 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -57.69 -21.03 38.05 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.477 1.111 . . . . 0.0 109.288 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -89.47 15.72 8.81 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.472 1.108 . . . . 0.0 109.295 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 52.57 30.22 8.25 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.507 1.129 . . . . 0.0 109.317 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . 0.41 ' O ' ' HA ' ' A' ' 10' ' ' LYS . 6.8 mtp180 -102.23 156.15 35.59 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.476 1.11 . . . . 0.0 110.311 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.13 124.61 8.67 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.486 1.782 . . . . 0.0 110.99 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.439 ' HB2' ' O ' ' A' ' 9' ' ' LEU . . . -46.16 -32.08 2.77 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.469 1.105 . . . . 0.0 109.339 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 24.8 p -51.21 -23.48 3.44 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.476 1.11 . . . . 0.0 109.949 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 20.1 t -64.26 -27.51 42.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.457 1.098 . . . . 0.0 109.361 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 14.8 m-85 -124.01 22.32 8.8 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.437 1.086 . . . . 0.0 110.998 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -120.5 110.92 17.05 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.479 1.112 . . . . 0.0 109.27 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -96.34 108.53 21.06 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.504 1.127 . . . . 0.0 109.319 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 9.9 mttt -72.38 53.59 0.3 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.492 1.12 . . . . 0.0 109.319 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 10.4 p-10 174.1 36.2 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.459 1.099 . . . . 0.0 109.32 -179.937 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -169.05 162.47 7.79 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.466 1.104 . . . . 0.0 109.306 -179.9 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 148.4 35.12 Favored 'Trans proline' 0 C--N 1.361 1.227 0 O-C-N 124.412 1.743 . . . . 0.0 111.038 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . 0.549 HG23 ' HB2' ' A' ' 59' ' ' ASN . 39.7 m -130.17 125.4 34.93 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.513 1.133 . . . . 0.0 110.415 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 8.8 tp -105.84 127.9 53.41 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.506 1.129 . . . . 0.0 109.319 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.441 HG23 HG23 ' A' ' 63' ' ' VAL . 14.2 mt -110.78 148.7 13.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.588 1.18 . . . . 0.0 109.296 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.558 ' HB2' ' CE3' ' A' ' 111' ' ' TRP . 1.0 OUTLIER -138.92 113.24 8.81 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.417 1.073 . . . . 0.0 109.348 179.983 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . 0.699 ' CE1' ' CD1' ' A' ' 105' ' ' ILE . 59.1 m-85 -84.96 132.54 34.34 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.492 1.12 . . . . 0.0 111.062 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' TRP . . . . . 0.682 ' CZ3' HD21 ' A' ' 43' ' ' LEU . 4.8 p-90 -137.47 166.83 22.93 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 107.978 -1.119 . . . . 0.0 107.978 -179.878 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . 0.53 ' HB1' ' NE1' ' A' ' 35' ' ' TRP . . . -128.31 127.9 43.59 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.492 1.12 . . . . 0.0 109.284 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 5.2 m -54.11 -30.0 47.01 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.575 1.172 . . . . 0.0 110.004 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' TRP . . . . . 0.53 ' NE1' ' HB1' ' A' ' 33' ' ' ALA . 24.2 p-90 -76.69 -25.0 53.15 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.51 1.131 . . . . 0.0 108.022 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . 0.467 ' HB2' ' HB3' ' A' ' 33' ' ' ALA . 48.5 t -70.83 114.33 25.98 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.484 1.115 . . . . 0.0 108.305 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -42.37 0.52 Allowed 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.502 1.79 . . . . 0.0 110.972 -179.917 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.616 HD23 ' O ' ' A' ' 38' ' ' LEU . 5.3 tt -57.47 -34.24 68.82 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.47 1.106 . . . . 0.0 109.352 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 41.8 m -74.39 -43.45 56.37 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.54 1.15 . . . . 0.0 108.28 -179.92 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.477 ' HA ' HD12 ' A' ' 43' ' ' LEU . 46.5 mt -51.18 -48.7 61.86 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.47 1.106 . . . . 0.0 109.312 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -69.19 -24.99 64.11 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.543 1.152 . . . . 0.0 110.075 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 2.4 tp10 -77.45 -26.33 51.39 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.569 1.168 . . . . 0.0 110.312 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.682 HD21 ' CZ3' ' A' ' 32' ' ' TRP . 55.7 mt -44.18 -54.54 5.55 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.47 1.106 . . . . 0.0 109.287 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -51.32 -50.5 40.5 Favored Glycine 0 CA--C 1.531 1.057 0 O-C-N 124.481 1.113 . . . . 0.0 110.946 -179.936 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . 0.444 ' CG ' ' CE2' ' A' ' 49' ' ' TRP . 3.5 tt0 -61.06 -29.32 69.67 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.541 0.789 . . . . 0.0 110.265 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . 0.526 ' O ' ' HB2' ' A' ' 50' ' ' ALA . 97.7 m -75.85 -39.79 55.93 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.59 1.181 . . . . 0.0 110.413 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . 0.441 ' OE2' ' N ' ' A' ' 89' ' ' LEU . 4.9 tt0 -65.81 -35.08 79.69 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.459 1.1 . . . . 0.0 110.3 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.413 ' O ' ' HG2' ' A' ' 51' ' ' GLN . 1.6 tttm -76.55 -56.61 4.46 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.444 1.09 . . . . 0.0 109.234 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' TRP . . . . . 0.453 ' HB3' ' CE2' ' A' ' 55' ' ' PHE . 46.9 m0 -54.97 -26.15 34.62 Favored 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.494 1.121 . . . . 0.0 108.04 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.526 ' HB2' ' O ' ' A' ' 46' ' ' THR . . . -68.96 -9.64 53.21 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.591 1.182 . . . . 0.0 109.294 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . 0.413 ' HG2' ' O ' ' A' ' 48' ' ' LYS . 1.6 pt20 -111.71 -9.84 14.1 Favored 'General case' 0 C--N 1.326 -0.414 0 O-C-N 124.509 1.13 . . . . 0.0 110.317 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . 0.431 ' OD1' ' N ' ' A' ' 55' ' ' PHE . 0.8 OUTLIER -58.68 123.66 17.11 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.535 1.147 . . . . 0.0 109.359 179.969 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . 0.443 ' O ' ' N ' ' A' ' 56' ' ' SER . . . -55.3 -50.9 68.36 Favored 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.499 1.124 . . . . 0.0 109.23 -179.939 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 1.2 mmtm -48.65 -33.9 10.79 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.464 1.103 . . . . 0.0 109.35 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . 0.777 ' CZ ' HD12 ' A' ' 60' ' ' LEU . 0.1 OUTLIER -76.84 -28.04 55.33 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.526 1.141 . . . . 0.0 111.035 179.918 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . 0.443 ' N ' ' O ' ' A' ' 53' ' ' ALA . 50.0 m -46.99 -40.84 15.25 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.509 1.13 . . . . 0.0 110.029 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . 0.403 ' C ' ' O ' ' A' ' 56' ' ' SER . 0.3 OUTLIER -39.26 -33.29 0.14 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.482 1.114 . . . . 0.0 109.981 179.997 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . 0.4 ' O ' ' O ' ' A' ' 55' ' ' PHE . . . -132.35 164.63 26.04 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.534 1.146 . . . . 0.0 109.273 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . 0.549 ' HB2' HG23 ' A' ' 27' ' ' THR . 4.0 m-20 -89.6 122.37 32.68 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.536 1.147 . . . . 0.0 109.337 179.93 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.787 ' C ' HD23 ' A' ' 60' ' ' LEU . 1.8 tt -105.87 125.42 50.97 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.496 1.123 . . . . 0.0 109.326 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.497 ' N ' HD23 ' A' ' 60' ' ' LEU . 0.9 OUTLIER -153.84 163.15 1.88 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.564 1.165 . . . . 0.0 109.305 179.977 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . 0.467 ' HB ' ' CD1' ' A' ' 32' ' ' TRP . 30.4 p -115.57 154.7 28.93 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.525 1.141 . . . . 0.0 110.447 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . 0.562 HG22 ' HB ' ' A' ' 92' ' ' VAL . 3.0 t -126.55 145.11 34.63 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 O-C-N 124.557 1.161 . . . . 0.0 109.411 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . 0.565 ' CB ' ' CZ ' ' A' ' 77' ' ' PHE . . . -133.94 149.77 51.28 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.418 1.074 . . . . 0.0 109.228 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . 0.401 ' CB ' ' HB3' ' A' ' 68' ' ' PHE . 3.3 t -123.15 108.52 32.11 Favored Pre-proline 0 C--N 1.326 -0.435 0 O-C-N 124.397 1.06 . . . . 0.0 109.958 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . 0.436 ' HA ' ' O ' ' A' ' 72' ' ' LYS . 18.5 Cg_endo -75.03 135.6 19.23 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.585 1.834 . . . . 0.0 111.032 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 69.78 6.97 57.8 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.54 1.15 . . . . 0.0 110.945 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . 0.476 ' CE1' HD13 ' A' ' 69' ' ' LEU . 39.8 t80 -125.09 128.81 49.05 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.483 0.755 . . . . 0.0 110.992 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 1.074 HD23 ' CE2' ' A' ' 108' ' ' TYR . 0.8 OUTLIER 77.08 21.44 1.11 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.511 1.132 . . . . 0.0 109.331 -179.955 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER 70.93 22.6 4.58 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.518 1.136 . . . . 0.0 109.549 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . 0.403 ' O ' ' C ' ' A' ' 72' ' ' LYS . 0.1 OUTLIER -85.9 145.02 27.35 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.432 1.083 . . . . 0.0 110.308 179.997 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . 0.436 ' O ' ' HA ' ' A' ' 66' ' ' PRO . 1.0 OUTLIER -39.65 142.44 0.31 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.497 1.123 . . . . 0.0 109.212 -179.969 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 4.5 tttp -70.45 159.22 34.63 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.571 1.169 . . . . 0.0 109.292 179.939 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 10.3 t0 -50.51 142.13 11.19 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.472 1.108 . . . . 0.0 109.318 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 89.35 -40.14 3.08 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.481 1.113 . . . . 0.0 111.066 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -78.09 -33.36 50.72 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.48 0.753 . . . . 0.0 109.354 179.936 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' PHE . . . . . 0.565 ' CZ ' ' CB ' ' A' ' 64' ' ' ALA . 32.6 t80 -69.09 -58.05 4.6 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.543 1.152 . . . . 0.0 111.007 179.91 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -54.19 -34.44 60.53 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.498 1.124 . . . . 0.0 110.264 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 11.5 mttt -62.24 -43.13 99.52 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.552 1.157 . . . . 0.0 109.281 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' TRP . . . . . . . . . . . . . 1.3 t90 -56.15 -50.51 70.96 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.521 1.138 . . . . 0.0 108.013 -179.935 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 58.9 t80 -57.71 -36.81 72.49 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.505 1.128 . . . . 0.0 110.999 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -74.9 -2.69 28.06 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.406 1.067 . . . . 0.0 109.258 -179.942 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -90.31 -22.2 35.65 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.445 1.091 . . . . 0.0 111.002 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -109.1 142.04 40.4 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.492 0.76 . . . . 0.0 109.336 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -67.07 -161.98 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.46 1.1 . . . . 0.0 109.283 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' TYR . . . . . 0.415 ' N ' ' HD3' ' A' ' 87' ' ' PRO . 58.7 m-85 57.18 63.37 5.12 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.54 1.15 . . . . 0.0 111.027 -179.899 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' PRO . . . . . 0.415 ' HD3' ' N ' ' A' ' 86' ' ' TYR . 18.2 Cg_endo -75.02 43.98 1.08 Allowed 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.53 1.805 . . . . 0.0 110.988 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . 0.408 ' H ' ' C ' ' A' ' 86' ' ' TYR . 22.8 tttp -118.75 -12.8 9.62 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.521 1.138 . . . . 0.0 109.259 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 0.963 HD23 ' HD2' ' A' ' 90' ' ' PRO . 0.7 OUTLIER -71.29 122.41 87.0 Favored Pre-proline 0 C--N 1.324 -0.518 0 O-C-N 124.543 1.152 . . . . 0.0 109.263 -179.936 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 90' ' ' PRO . . . . . 0.963 ' HD2' HD23 ' A' ' 89' ' ' LEU . 17.9 Cg_endo -74.96 128.41 11.49 Favored 'Trans proline' 0 C--N 1.361 1.209 0 O-C-N 124.525 1.803 . . . . 0.0 110.938 -179.949 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . 0.438 HG22 ' OG1' ' A' ' 62' ' ' THR . 55.2 t -147.41 125.23 3.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.48 1.113 . . . . 0.0 109.308 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . 0.571 HG22 HG22 ' A' ' 11' ' ' THR . 39.7 t -108.7 145.56 15.47 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.546 1.154 . . . . 0.0 109.32 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . 0.498 ' CG2' ' CE1' ' A' ' 77' ' ' PHE . 2.2 p -123.19 114.27 20.05 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.428 1.08 . . . . 0.0 110.417 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . 0.589 ' CB ' HD11 ' A' ' 9' ' ' LEU . 67.7 t0 -114.93 110.34 19.49 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.563 1.164 . . . . 0.0 109.304 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 17.7 t-20 -60.55 110.38 1.26 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.467 1.104 . . . . 0.0 109.288 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 90.07 -26.69 9.41 Favored Glycine 0 CA--C 1.529 0.933 0 O-C-N 124.569 1.168 . . . . 0.0 111.024 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 72.33 74.11 0.79 Allowed Glycine 0 CA--C 1.528 0.901 0 N-CA-C 110.988 -0.845 . . . . 0.0 110.988 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 98' ' ' THR . . . . . 0.492 ' O ' ' CB ' ' A' ' 102' ' ' SER . 1.4 m -62.2 -37.45 85.36 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.466 0.745 . . . . 0.0 110.315 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 3.7 mt -81.59 -39.01 16.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.524 1.14 . . . . 0.0 109.311 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -63.81 -47.68 79.87 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.47 1.107 . . . . 0.0 109.261 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 8.3 pt20 -72.94 -32.35 65.21 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.505 1.128 . . . . 0.0 110.28 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . 0.492 ' CB ' ' O ' ' A' ' 98' ' ' THR . 10.7 t -68.37 -21.57 64.71 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.549 1.156 . . . . 0.0 109.997 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 17.1 mt -106.08 -8.29 17.56 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.448 1.093 . . . . 0.0 109.261 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 7.0 t-20 70.96 47.02 0.44 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.451 1.094 . . . . 0.0 109.31 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 105' ' ' ILE . . . . . 0.699 ' CD1' ' CE1' ' A' ' 31' ' ' PHE . 14.6 mt -85.61 116.79 29.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.409 1.068 . . . . 0.0 109.28 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 6.3 p -145.42 26.6 1.29 Allowed 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.553 1.158 . . . . 0.0 109.954 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 1.5 p -146.66 132.85 13.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.572 1.17 . . . . 0.0 109.229 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 108' ' ' TYR . . . . . 1.074 ' CE2' HD23 ' A' ' 69' ' ' LEU . 20.7 m-30 -130.57 153.37 81.44 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.515 1.135 . . . . 0.0 111.055 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 109' ' ' PRO . . . . . 0.523 ' C ' ' HA ' ' A' ' 108' ' ' TYR . 18.5 Cg_endo -74.89 162.71 92.25 Favored 'Cis proline' 0 C--N 1.359 1.096 0 C-N-CA 121.083 -2.465 . . . . 0.0 111.021 -0.039 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -136.03 163.22 30.81 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.52 1.138 . . . . 0.0 110.009 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 111' ' ' TRP . . . . . 0.558 ' CE3' ' HB2' ' A' ' 30' ' ' LYS . 85.7 m95 -139.86 141.89 36.6 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.505 1.128 . . . . 0.0 108.043 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -135.47 131.7 36.46 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.493 1.12 . . . . 0.0 109.258 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 26.4 tp -108.61 123.7 49.35 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.548 1.155 . . . . 0.0 109.248 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 30.1 mm -112.38 120.45 62.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.527 1.142 . . . . 0.0 109.358 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 115' ' ' GLY . . . . . 0.42 ' N ' ' O ' ' A' ' 119' ' ' ASP . . . -45.87 171.53 0.02 OUTLIER Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.514 1.134 . . . . 0.0 111.0 -179.945 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -79.3 0.84 27.18 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.515 0.773 . . . . 0.0 109.271 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -103.02 -1.2 29.66 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.453 1.095 . . . . 0.0 109.324 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . 81.69 34.43 25.02 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.425 1.078 . . . . 0.0 110.982 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 119' ' ' ASP . . . . . 0.42 ' O ' ' N ' ' A' ' 115' ' ' GLY . 3.5 p-10 -124.65 159.78 30.01 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.572 0.807 . . . . 0.0 109.258 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 42.6 t -65.94 117.5 6.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.491 1.119 . . . . 0.0 109.27 -179.943 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 13.9 tt0 -92.4 -62.29 1.43 Allowed 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.544 1.153 . . . . 0.0 110.259 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 7.6 ttp85 -150.0 158.41 44.14 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.455 1.097 . . . . 0.0 110.244 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 123' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -123.27 141.57 43.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.539 1.149 . . . . 0.0 109.317 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 96.4 t -134.75 120.03 30.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.556 1.16 . . . . 0.0 109.304 179.892 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 54.4 mttt -104.31 110.66 22.97 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.543 1.152 . . . . 0.0 109.301 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . 136.32 -164.1 25.1 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.54 1.15 . . . . 0.0 111.073 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -112.34 139.09 48.19 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.553 0.796 . . . . 0.0 109.959 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 128' ' ' ILE . . . . . 0.47 HG22 ' NE2' ' A' ' 132' ' ' GLN . 7.7 pt -116.86 162.77 14.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.535 1.147 . . . . 0.0 109.276 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 129' ' ' ASN . . . . . . . . . . . . . 1.3 p30 -108.63 166.66 10.63 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.485 1.116 . . . . 0.0 109.318 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 130' ' ' GLU . . . . . 0.411 ' HB2' ' CZ2' ' A' ' 49' ' ' TRP . 1.6 tt0 -46.89 -46.04 20.87 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.482 1.114 . . . . 0.0 110.254 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -52.25 -52.57 51.8 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.489 1.118 . . . . 0.0 109.29 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 132' ' ' GLN . . . . . 0.47 ' NE2' HG22 ' A' ' 128' ' ' ILE . 1.3 mt-30 -51.07 -45.78 61.52 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.369 1.043 . . . . 0.0 110.308 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 133' ' ' ALA . . . . . 0.42 ' O ' HD12 ' A' ' 137' ' ' ILE . . . -54.08 -50.54 66.55 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.474 1.109 . . . . 0.0 109.284 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 10.9 mt -60.34 -53.24 59.96 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.45 1.094 . . . . 0.0 109.388 179.927 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -56.94 -30.83 64.37 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.441 1.088 . . . . 0.0 109.272 179.939 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 2.5 tp -68.85 -42.35 77.22 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.503 1.127 . . . . 0.0 109.368 179.943 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 137' ' ' ILE . . . . . 0.42 HD12 ' O ' ' A' ' 133' ' ' ALA . 5.3 mt -77.89 -26.45 14.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.426 1.079 . . . . 0.0 109.301 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 2.0 ttp180 -75.02 -47.74 27.5 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.532 1.145 . . . . 0.0 110.262 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 3.4 t0 -169.85 130.4 0.95 Allowed Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.568 1.167 . . . . 0.0 109.266 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.9 -10.79 21.55 Favored 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.449 1.763 . . . . 0.0 111.048 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 141' ' ' ASN . . . . . . . . . . . . . 75.9 m-20 -74.99 -27.36 60.12 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.467 1.104 . . . . 0.0 109.272 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -41.27 108.19 0.09 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.585 1.178 . . . . 0.0 109.369 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 143' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -110.6 153.69 24.82 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.126 . . . . 0.0 109.301 -179.911 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 144' ' ' LEU . . . . . 0.639 HD13 ' H ' ' A' ' 144' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.514 1.134 . . . . 0.0 109.324 -179.95 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 55.8 mtt . . . . . 0 N--CA 1.453 -0.282 0 CA-C-O 120.483 0.182 . . . . 0.0 110.995 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . 0.7 HG22 ' HB ' ' A' ' 5' ' ' THR . 8.0 p -139.15 64.43 33.02 Favored Pre-proline 0 C--N 1.326 -0.443 0 O-C-N 124.493 1.121 . . . . 0.0 109.301 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . 0.42 ' HD3' ' N ' ' A' ' 2' ' ' VAL . 18.0 Cg_endo -75.0 -20.33 16.97 Favored 'Trans proline' 0 C--N 1.359 1.119 0 O-C-N 124.574 1.828 . . . . 0.0 110.988 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 78.4 t60 -70.88 -38.17 73.05 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.416 1.073 . . . . 0.0 109.656 179.916 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.7 ' HB ' HG22 ' A' ' 2' ' ' VAL . 36.4 m -71.27 -49.1 46.52 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.456 1.097 . . . . 0.0 110.389 -179.949 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 6.4 tp -58.79 -45.53 89.67 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.562 1.164 . . . . 0.0 109.342 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 96.7 p -69.71 -23.51 63.43 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.446 1.092 . . . . 0.0 109.997 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 1.2 m -80.79 -27.55 36.63 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.457 1.098 . . . . 0.0 110.41 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.51 HD11 ' HA ' ' A' ' 94' ' ' ASP . 0.5 OUTLIER -51.36 133.59 29.05 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.477 1.11 . . . . 0.0 109.275 179.964 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 14.4 mttt -106.21 154.48 20.66 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.483 1.115 . . . . 0.0 109.245 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . 0.489 HG22 HG22 ' A' ' 92' ' ' VAL . 39.8 p -89.79 175.56 7.18 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.54 1.15 . . . . 0.0 110.451 179.916 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -61.16 -15.25 31.74 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.575 1.172 . . . . 0.0 109.318 179.928 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -95.6 22.9 6.58 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.423 1.077 . . . . 0.0 109.244 -179.929 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 48.68 30.09 2.43 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.505 1.128 . . . . 0.0 109.333 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 5.2 mtm180 -102.11 148.17 35.0 Favored Pre-proline 0 C--N 1.326 -0.44 0 O-C-N 124.34 1.025 . . . . 0.0 110.28 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . 0.43 ' HG2' HG23 ' A' ' 19' ' ' VAL . 18.4 Cg_endo -74.95 130.16 13.07 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.545 1.813 . . . . 0.0 111.005 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -57.27 -23.73 50.22 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.567 1.167 . . . . 0.0 109.265 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 30.2 t -56.13 -30.74 62.55 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.502 1.126 . . . . 0.0 110.011 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.43 HG23 ' HG2' ' A' ' 16' ' ' PRO . 97.6 t -57.03 -31.98 38.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.471 1.107 . . . . 0.0 109.302 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 15.5 m-85 -116.77 24.16 11.45 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.487 1.117 . . . . 0.0 111.052 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -125.21 116.36 21.87 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.542 1.151 . . . . 0.0 109.365 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -100.96 124.13 46.19 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.517 1.135 . . . . 0.0 109.295 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.408 ' O ' ' CB ' ' A' ' 24' ' ' ASP . 21.8 mmtm -72.89 54.3 0.37 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.49 1.119 . . . . 0.0 109.298 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . 0.408 ' CB ' ' O ' ' A' ' 23' ' ' LYS . 1.2 p-10 162.54 39.7 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.512 1.132 . . . . 0.0 109.354 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 12.5 mmtm -153.27 151.43 25.78 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.583 1.177 . . . . 0.0 109.34 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.09 126.31 9.83 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.523 1.801 . . . . 0.0 110.985 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 64.0 m -109.32 139.41 44.3 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.464 1.103 . . . . 0.0 110.381 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.412 HD12 ' O ' ' A' ' 112' ' ' ALA . 13.6 tp -123.65 127.79 48.73 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.445 1.091 . . . . 0.0 109.332 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.603 ' HB ' ' HB3' ' A' ' 112' ' ' ALA . 4.0 mt -108.33 149.97 11.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.548 1.155 . . . . 0.0 109.251 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.563 ' HB2' ' CE3' ' A' ' 111' ' ' TRP . 6.2 tptp -137.21 117.29 13.39 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.523 1.139 . . . . 0.0 109.297 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . 0.696 ' CZ ' ' CD1' ' A' ' 105' ' ' ILE . 65.8 m-85 -88.29 140.46 29.46 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.521 1.138 . . . . 0.0 110.966 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' TRP . . . . . 0.772 ' CZ3' HD11 ' A' ' 43' ' ' LEU . 28.3 p-90 -151.21 170.67 18.91 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.568 1.168 . . . . 0.0 108.013 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . 0.503 ' HB1' ' CE2' ' A' ' 35' ' ' TRP . . . -132.46 154.79 49.53 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.563 1.164 . . . . 0.0 109.308 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . 0.445 ' HB3' ' CZ3' ' A' ' 80' ' ' TRP . 0.4 OUTLIER -78.57 -30.53 46.83 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.506 1.129 . . . . 0.0 109.989 -179.945 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' TRP . . . . . 0.503 ' CE2' ' HB1' ' A' ' 33' ' ' ALA . 10.4 p-90 -73.41 -6.77 48.4 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.496 1.123 . . . . 0.0 108.039 179.934 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 49.1 t -96.33 111.43 56.68 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.5 1.125 . . . . 0.0 108.289 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 -33.93 4.21 Favored 'Trans proline' 0 C--N 1.361 1.213 0 O-C-N 124.446 1.761 . . . . 0.0 111.0 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.45 ' O ' HD22 ' A' ' 38' ' ' LEU . 1.5 tm? -63.53 -31.95 73.27 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.579 1.175 . . . . 0.0 109.271 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -78.52 -43.28 27.26 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.487 1.117 . . . . 0.0 108.372 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.533 HD23 ' CD1' ' A' ' 43' ' ' LEU . 16.5 mt -51.36 -47.91 62.66 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.571 1.17 . . . . 0.0 109.304 179.912 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 6.4 p -68.24 -24.94 64.96 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.482 1.114 . . . . 0.0 109.939 -179.927 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 21.3 tt0 -82.2 -23.8 35.25 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.498 1.124 . . . . 0.0 110.285 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.772 HD11 ' CZ3' ' A' ' 32' ' ' TRP . 79.7 mt -46.73 -54.48 9.61 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.449 1.093 . . . . 0.0 109.23 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -57.59 -51.18 59.41 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.46 1.1 . . . . 0.0 111.036 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . 0.482 ' HG2' ' CZ2' ' A' ' 49' ' ' TRP . 1.3 tt0 -54.78 -34.0 62.09 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.473 0.749 . . . . 0.0 110.26 -179.891 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 86.0 m -65.69 -42.58 91.06 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.513 1.133 . . . . 0.0 110.41 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 21.7 tt0 -59.3 -47.82 83.95 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.496 1.123 . . . . 0.0 110.302 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 3.5 ttmt -61.76 -32.49 72.74 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.466 1.104 . . . . 0.0 109.33 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' TRP . . . . . 0.482 ' CZ2' ' HG2' ' A' ' 45' ' ' GLN . 46.3 m0 -78.15 -31.26 49.68 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 107.975 -1.12 . . . . 0.0 107.975 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -79.12 -11.47 59.98 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.594 1.184 . . . . 0.0 109.199 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 1.2 pp0? -109.15 1.62 20.47 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.641 1.213 . . . . 0.0 110.343 179.939 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . 0.454 ' OD1' ' N ' ' A' ' 55' ' ' PHE . 3.0 t70 -76.0 134.16 40.21 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.494 1.121 . . . . 0.0 109.309 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -57.75 -53.82 53.83 Favored 'General case' 0 C--N 1.323 -0.55 0 O-C-N 124.49 1.119 . . . . 0.0 109.344 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . 0.52 ' HB3' HD22 ' A' ' 134' ' ' LEU . 3.3 mmtm -46.77 -41.44 15.32 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.467 1.105 . . . . 0.0 109.321 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . 0.957 ' CZ ' HD12 ' A' ' 60' ' ' LEU . 0.1 OUTLIER -77.53 -27.36 51.62 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.34 1.025 . . . . 0.0 111.069 179.933 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . 0.403 ' O ' ' C ' ' A' ' 57' ' ' SER . 12.0 t -45.8 -40.93 10.32 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.565 1.166 . . . . 0.0 109.941 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . 0.403 ' C ' ' O ' ' A' ' 56' ' ' SER . 16.9 t -38.78 -61.85 0.68 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.486 1.116 . . . . 0.0 109.958 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -98.45 165.65 11.74 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.591 1.182 . . . . 0.0 109.35 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 11.8 m-20 -89.09 133.57 34.32 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.413 1.071 . . . . 0.0 109.24 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.957 HD12 ' CZ ' ' A' ' 55' ' ' PHE . 3.1 tt -125.79 126.39 44.46 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.491 1.119 . . . . 0.0 109.282 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.783 ' N ' HD23 ' A' ' 60' ' ' LEU . 9.4 pt -151.92 162.3 2.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.472 1.107 . . . . 0.0 109.266 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 18.5 p -112.22 157.24 21.14 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.597 1.186 . . . . 0.0 110.398 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . 0.558 HG22 ' HB ' ' A' ' 92' ' ' VAL . 2.4 t -129.82 144.82 36.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 O-C-N 124.552 1.158 . . . . 0.0 109.318 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . 0.668 ' CB ' ' CZ ' ' A' ' 77' ' ' PHE . . . -133.45 149.41 51.77 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.542 1.151 . . . . 0.0 109.261 -179.939 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . 0.47 ' HB3' ' CB ' ' A' ' 68' ' ' PHE . 74.6 m -120.23 108.63 37.89 Favored Pre-proline 0 C--N 1.324 -0.518 0 O-C-N 124.593 1.183 . . . . 0.0 109.96 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.01 131.25 14.07 Favored 'Trans proline' 0 C--N 1.359 1.108 0 O-C-N 124.504 1.792 . . . . 0.0 110.965 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 74.66 7.41 79.75 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.467 1.104 . . . . 0.0 110.979 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . 0.559 ' CD2' HD13 ' A' ' 69' ' ' LEU . 2.4 t80 -108.64 133.52 52.63 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.406 0.709 . . . . 0.0 110.994 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.559 HD13 ' CD2' ' A' ' 68' ' ' PHE . 9.9 mp 57.27 45.32 20.49 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.569 1.168 . . . . 0.0 109.36 -179.919 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER 57.49 41.25 26.29 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.586 1.179 . . . . 0.0 109.575 179.916 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . 0.418 ' HG3' ' N ' ' A' ' 72' ' ' LYS . 4.2 tp10 -100.32 148.92 24.15 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.461 1.101 . . . . 0.0 110.332 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . 0.418 ' N ' ' HG3' ' A' ' 71' ' ' GLU . 19.0 mttt -50.95 133.03 27.36 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.506 1.129 . . . . 0.0 109.324 -179.949 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 2.3 ttmt -65.46 163.2 16.32 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.439 1.087 . . . . 0.0 109.325 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -50.79 149.4 3.42 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.474 1.109 . . . . 0.0 109.359 179.946 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 82.53 -50.45 4.35 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.487 1.117 . . . . 0.0 111.013 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -71.8 -31.02 66.15 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.499 0.764 . . . . 0.0 109.269 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' PHE . . . . . 0.668 ' CZ ' ' CB ' ' A' ' 64' ' ' ALA . 21.1 t80 -77.52 -57.04 4.04 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.442 1.089 . . . . 0.0 111.035 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 17.9 pt20 -50.75 -27.56 7.4 Favored 'General case' 0 C--N 1.327 -0.397 0 O-C-N 124.502 1.126 . . . . 0.0 110.278 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 8.8 mtmt -67.24 -43.28 82.35 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.49 1.119 . . . . 0.0 109.31 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' TRP . . . . . 0.445 ' CZ3' ' HB3' ' A' ' 34' ' ' SER . 3.0 t90 -54.22 -53.97 46.32 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.542 1.151 . . . . 0.0 107.99 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' TYR . . . . . 0.762 ' HA ' HD12 ' A' ' 84' ' ' LEU . 13.7 t80 -56.0 -41.9 75.6 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.514 1.133 . . . . 0.0 110.964 -179.954 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -63.17 -17.85 62.83 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.383 1.052 . . . . 0.0 109.275 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -92.29 -15.23 54.24 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.472 1.108 . . . . 0.0 111.042 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.762 HD12 ' HA ' ' A' ' 81' ' ' TYR . 17.9 mt -83.73 145.87 28.5 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.468 0.746 . . . . 0.0 109.315 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -74.38 173.87 9.67 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.444 1.09 . . . . 0.0 109.37 179.925 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' TYR . . . . . 0.417 ' C ' ' H ' ' A' ' 88' ' ' LYS . 66.1 m-85 56.2 66.29 3.59 Favored Pre-proline 0 C--N 1.323 -0.548 0 O-C-N 124.53 1.143 . . . . 0.0 111.012 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 44.31 1.14 Allowed 'Trans proline' 0 C--N 1.361 1.204 0 O-C-N 124.542 1.812 . . . . 0.0 111.032 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . 0.417 ' H ' ' C ' ' A' ' 86' ' ' TYR . 45.1 mttt -121.94 -6.45 9.0 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.473 1.108 . . . . 0.0 109.269 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 0.901 HD12 ' HD2' ' A' ' 90' ' ' PRO . 0.1 OUTLIER -76.81 136.87 66.57 Favored Pre-proline 0 C--N 1.324 -0.543 0 O-C-N 124.539 1.149 . . . . 0.0 109.232 179.99 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 90' ' ' PRO . . . . . 0.901 ' HD2' HD12 ' A' ' 89' ' ' LEU . 18.1 Cg_endo -74.99 127.55 10.78 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.426 1.75 . . . . 0.0 110.973 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . 0.406 ' O ' ' HB ' ' A' ' 11' ' ' THR . 17.2 t -143.38 119.78 5.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 O-C-N 124.514 1.134 . . . . 0.0 109.339 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . 0.686 HG21 HD12 ' A' ' 61' ' ' ILE . 61.6 t -109.23 138.15 37.93 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 O-C-N 124.577 1.173 . . . . 0.0 109.241 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . 0.492 HG22 ' CE1' ' A' ' 77' ' ' PHE . 3.9 p -118.77 117.17 28.16 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.536 1.147 . . . . 0.0 110.396 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . 0.715 ' OD2' HD12 ' A' ' 99' ' ' ILE . 60.6 t0 -114.76 111.63 21.55 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.5 1.125 . . . . 0.0 109.372 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 2.7 m120 -60.45 115.92 3.92 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.422 1.076 . . . . 0.0 109.297 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 87.8 -19.77 31.72 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.408 1.068 . . . . 0.0 110.991 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 64.31 71.76 0.81 Allowed Glycine 0 CA--C 1.53 0.989 0 N-CA-C 110.977 -0.849 . . . . 0.0 110.977 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 1.8 m -67.27 -35.36 79.35 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.478 0.752 . . . . 0.0 110.379 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 99' ' ' ILE . . . . . 0.715 HD12 ' OD2' ' A' ' 94' ' ' ASP . 2.7 mp -74.21 -33.6 35.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.454 1.096 . . . . 0.0 109.292 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . 0.585 ' HA ' HD12 ' A' ' 105' ' ' ILE . . . -71.45 -38.85 71.27 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.598 1.187 . . . . 0.0 109.316 -179.947 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 1.9 mt-30 -80.46 -35.16 35.29 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.446 1.091 . . . . 0.0 110.256 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 3.5 m -64.98 -37.55 88.04 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.445 1.09 . . . . 0.0 109.957 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . 0.798 ' HB3' HD13 ' A' ' 123' ' ' ILE . 44.4 mt -91.45 -2.43 57.26 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 0.0 109.277 -179.909 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 15.9 t-20 57.31 57.66 4.33 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.494 1.121 . . . . 0.0 109.326 -179.894 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 105' ' ' ILE . . . . . 0.783 HG22 ' H ' ' A' ' 107' ' ' VAL . 88.3 mt -89.58 -82.43 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.528 1.142 . . . . 0.0 109.233 -179.945 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . 0.411 ' OG ' ' O ' ' A' ' 105' ' ' ILE . 12.6 p 53.9 26.13 5.94 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.551 1.157 . . . . 0.0 110.0 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 107' ' ' VAL . . . . . 0.783 ' H ' HG22 ' A' ' 105' ' ' ILE . 7.4 p -148.7 132.22 7.97 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 O-C-N 124.408 1.067 . . . . 0.0 109.289 179.941 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 108' ' ' TYR . . . . . 0.588 ' CE1' ' HB3' ' A' ' 31' ' ' PHE . 14.5 m-85 -131.34 152.44 80.54 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.497 1.123 . . . . 0.0 110.969 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 109' ' ' PRO . . . . . 0.527 ' C ' ' HA ' ' A' ' 108' ' ' TYR . 18.3 Cg_endo -74.96 165.06 86.92 Favored 'Cis proline' 0 C--N 1.36 1.176 0 C-N-CA 120.99 -2.504 . . . . 0.0 111.023 -0.077 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -145.18 160.86 40.79 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.589 1.181 . . . . 0.0 110.026 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 111' ' ' TRP . . . . . 0.563 ' CE3' ' HB2' ' A' ' 30' ' ' LYS . 91.2 m95 -134.82 139.88 45.42 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.497 1.123 . . . . 0.0 107.97 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 112' ' ' ALA . . . . . 0.603 ' HB3' ' HB ' ' A' ' 29' ' ' ILE . . . -129.15 134.09 47.89 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.481 1.113 . . . . 0.0 109.313 179.881 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 28.0 tp -108.89 123.95 49.89 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.567 1.167 . . . . 0.0 109.27 179.919 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 45.4 mm -112.19 125.39 69.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.428 1.08 . . . . 0.0 109.271 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -49.72 166.8 0.35 Allowed Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.525 1.141 . . . . 0.0 110.996 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -68.98 -11.68 60.96 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.43 0.724 . . . . 0.0 109.278 -179.95 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -86.56 -21.03 27.11 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.506 1.129 . . . . 0.0 109.333 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . 99.78 29.02 7.12 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.487 1.117 . . . . 0.0 110.971 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 1.6 p-10 -119.52 159.0 25.15 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.427 0.722 . . . . 0.0 109.236 -179.939 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 55.6 t -58.49 116.02 1.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.533 1.146 . . . . 0.0 109.305 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 121' ' ' GLN . . . . . 0.518 HE22 HD21 ' A' ' 144' ' ' LEU . 32.5 tt0 -92.89 -61.77 1.52 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.588 1.18 . . . . 0.0 110.294 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -156.33 153.16 28.57 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.532 1.145 . . . . 0.0 110.299 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 123' ' ' ILE . . . . . 0.798 HD13 ' HB3' ' A' ' 103' ' ' LEU . 1.8 tp -106.75 137.35 37.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.479 1.112 . . . . 0.0 109.264 -179.949 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 80.2 t -127.84 111.28 24.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.502 1.126 . . . . 0.0 109.329 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -98.77 127.0 44.56 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.521 1.138 . . . . 0.0 109.314 179.922 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . 129.01 -156.75 21.34 Favored Glycine 0 CA--C 1.529 0.913 0 O-C-N 124.487 1.117 . . . . 0.0 111.008 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -128.46 147.13 50.65 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.455 0.738 . . . . 0.0 110.014 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 128' ' ' ILE . . . . . 0.408 ' HA ' ' OE1' ' A' ' 132' ' ' GLN . 5.2 pt -127.47 162.38 33.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.482 1.114 . . . . 0.0 109.332 -179.922 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 129' ' ' ASN . . . . . . . . . . . . . 2.8 p30 -110.36 167.54 10.12 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.5 1.125 . . . . 0.0 109.32 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 130' ' ' GLU . . . . . 0.406 ' OE2' ' HB3' ' A' ' 133' ' ' ALA . 7.0 tp10 -48.76 -43.48 37.85 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.513 1.133 . . . . 0.0 110.326 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -51.23 -55.59 17.33 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.509 1.131 . . . . 0.0 109.257 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 132' ' ' GLN . . . . . 0.408 ' OE1' ' HA ' ' A' ' 128' ' ' ILE . 4.2 mt-30 -50.91 -47.34 60.86 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.455 1.097 . . . . 0.0 110.3 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 133' ' ' ALA . . . . . 0.507 ' O ' HD12 ' A' ' 137' ' ' ILE . . . -51.84 -46.83 64.53 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.418 1.074 . . . . 0.0 109.341 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 134' ' ' LEU . . . . . 0.52 HD22 ' HB3' ' A' ' 54' ' ' LYS . 16.1 mt -65.98 -49.79 66.6 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.59 1.181 . . . . 0.0 109.3 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -55.03 -23.06 17.92 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.121 . . . . 0.0 109.268 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -78.66 -37.21 42.46 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.551 1.157 . . . . 0.0 109.283 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 137' ' ' ILE . . . . . 0.507 HD12 ' O ' ' A' ' 133' ' ' ALA . 1.5 mt -82.61 -26.96 8.5 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 O-C-N 124.483 1.115 . . . . 0.0 109.292 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -81.3 -47.53 13.21 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.517 1.136 . . . . 0.0 110.263 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 18.0 t0 -103.25 121.11 49.9 Favored Pre-proline 0 C--N 1.326 -0.442 0 O-C-N 124.445 1.091 . . . . 0.0 109.276 -179.93 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.0 -21.83 15.44 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.549 1.816 . . . . 0.0 111.001 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 141' ' ' ASN . . . . . . . . . . . . . 44.3 m-80 -78.09 -15.26 59.04 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.455 1.097 . . . . 0.0 109.288 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -93.62 67.5 3.92 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.46 1.1 . . . . 0.0 109.353 179.944 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 143' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 55.25 98.33 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.416 1.073 . . . . 0.0 109.218 179.943 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 144' ' ' LEU . . . . . 0.542 ' C ' HD12 ' A' ' 144' ' ' LEU . 0.5 OUTLIER . . . . . 0 C--N 1.326 -0.455 0 O-C-N 124.583 1.177 . . . . 0.0 109.365 179.953 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.295 0 CA-C-O 120.554 0.216 . . . . 0.0 111.001 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . 0.787 HG22 ' HB ' ' A' ' 5' ' ' THR . 6.0 p -132.91 76.28 70.83 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.488 1.117 . . . . 0.0 109.341 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 -40.22 0.98 Allowed 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.501 1.79 . . . . 0.0 111.042 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 20.2 m170 -51.3 -31.74 22.49 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.52 1.137 . . . . 0.0 109.589 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.787 ' HB ' HG22 ' A' ' 2' ' ' VAL . 59.7 m -77.87 -53.8 7.06 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.622 1.201 . . . . 0.0 110.418 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 8.4 mt -57.29 -37.08 71.86 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.483 1.115 . . . . 0.0 109.311 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -75.55 -22.47 57.02 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.467 1.104 . . . . 0.0 110.039 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 1.3 m -77.74 -20.32 53.67 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.501 1.126 . . . . 0.0 110.427 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.698 HD11 ' CB ' ' A' ' 94' ' ' ASP . 4.0 mm? -56.77 129.1 39.85 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.552 1.157 . . . . 0.0 109.317 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.417 ' HA ' ' O ' ' A' ' 15' ' ' ARG . 6.6 mttt -112.95 140.54 47.68 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.466 1.104 . . . . 0.0 109.29 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . 0.533 HG22 HG22 ' A' ' 92' ' ' VAL . 20.9 p -78.37 178.13 7.93 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.578 1.173 . . . . 0.0 110.394 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -72.27 -5.86 39.01 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.545 1.153 . . . . 0.0 109.226 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . 0.407 ' OD2' ' N ' ' A' ' 13' ' ' ASP . 0.0 OUTLIER -102.66 23.72 11.6 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.522 1.139 . . . . 0.0 109.29 -179.997 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER 48.64 42.83 19.96 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.563 1.164 . . . . 0.0 109.322 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . 0.417 ' O ' ' HA ' ' A' ' 10' ' ' LYS . 5.6 mtt-85 -122.33 159.53 51.94 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.571 1.169 . . . . 0.0 110.273 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.84 132.26 15.44 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.484 1.781 . . . . 0.0 111.039 179.881 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.491 ' HB1' ' OH ' ' A' ' 20' ' ' TYR . . . -54.45 -27.43 37.3 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.498 1.124 . . . . 0.0 109.301 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . 0.422 ' HA ' ' CB ' ' A' ' 21' ' ' LEU . 57.6 p -56.45 -26.59 54.28 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.454 1.096 . . . . 0.0 109.983 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 2.6 t -40.14 -47.8 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 O-C-N 124.557 1.16 . . . . 0.0 109.299 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . 0.621 ' OH ' HG21 ' A' ' 92' ' ' VAL . 17.6 p90 -104.16 -17.29 14.95 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.437 1.086 . . . . 0.0 110.978 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.478 HD12 ' CE1' ' A' ' 20' ' ' TYR . 0.1 OUTLIER -75.79 119.79 20.28 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.451 1.094 . . . . 0.0 109.331 179.963 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . 0.415 ' O ' ' N ' ' A' ' 24' ' ' ASP . 5.6 mttm -124.59 110.42 14.4 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.564 1.165 . . . . 0.0 109.361 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 1.2 tttt -70.55 54.97 0.16 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.563 1.164 . . . . 0.0 109.294 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . 0.415 ' N ' ' O ' ' A' ' 22' ' ' LYS . 34.6 t70 -175.55 31.28 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.46 1.1 . . . . 0.0 109.317 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.486 ' CE ' ' OD1' ' A' ' 59' ' ' ASN . 0.1 OUTLIER -171.8 162.07 4.74 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.509 1.131 . . . . 0.0 109.267 -179.974 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.06 149.15 36.03 Favored 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.402 1.738 . . . . 0.0 110.997 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . 0.873 HG23 ' HB2' ' A' ' 59' ' ' ASN . 54.6 m -133.26 132.65 41.67 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.437 1.086 . . . . 0.0 110.409 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.662 HD21 ' CE3' ' A' ' 111' ' ' TRP . 7.5 tp -112.8 129.43 56.44 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.47 1.106 . . . . 0.0 109.255 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.527 HD11 HG13 ' A' ' 114' ' ' ILE . 1.5 mp -110.24 150.82 12.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.466 1.104 . . . . 0.0 109.348 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.94 ' HZ1' HD12 ' A' ' 60' ' ' LEU . 1.1 mppt? -139.05 117.0 11.63 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.594 1.184 . . . . 0.0 109.288 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . 0.58 ' HB3' ' CE1' ' A' ' 108' ' ' TYR . 71.1 m-85 -86.89 131.36 34.13 Favored 'General case' 0 C--N 1.323 -0.545 0 O-C-N 124.557 1.16 . . . . 0.0 111.075 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' TRP . . . . . 1.083 ' CZ3' HD11 ' A' ' 43' ' ' LEU . 10.6 p-90 -139.51 167.91 21.03 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.473 1.108 . . . . 0.0 108.01 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -132.45 156.42 46.75 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.522 1.139 . . . . 0.0 109.236 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 32.5 t -80.16 -25.03 39.98 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.506 1.129 . . . . 0.0 109.98 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' TRP . . . . . 0.454 ' CD1' ' HG2' ' A' ' 71' ' ' GLU . 14.0 p-90 -84.97 -2.25 57.71 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 108.006 -1.109 . . . . 0.0 108.006 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . 0.676 ' O ' HD12 ' A' ' 40' ' ' LEU . 48.8 t -99.21 115.33 65.8 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.521 1.138 . . . . 0.0 108.254 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.04 -54.39 0.09 OUTLIER 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.472 1.775 . . . . 0.0 110.991 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 3.0 tt -48.11 -27.27 2.25 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.546 1.154 . . . . 0.0 109.325 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 6.3 m -78.63 -54.45 6.11 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.483 1.114 . . . . 0.0 108.345 179.938 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.676 HD12 ' O ' ' A' ' 36' ' ' CYS . 0.3 OUTLIER -51.92 -37.39 52.43 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.435 1.084 . . . . 0.0 109.33 179.955 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 2.9 p -72.76 -25.46 61.19 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.487 1.117 . . . . 0.0 109.981 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 2.3 tp10 -84.38 -17.94 37.73 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.55 1.156 . . . . 0.0 110.321 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 1.083 HD11 ' CZ3' ' A' ' 32' ' ' TRP . 20.4 mt -55.3 -55.06 35.76 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.532 1.145 . . . . 0.0 109.311 -179.905 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -53.14 -52.56 39.37 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.464 1.103 . . . . 0.0 111.03 179.911 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . 0.563 ' HG2' ' CZ2' ' A' ' 49' ' ' TRP . 1.0 OUTLIER -61.74 -35.28 77.64 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.473 0.749 . . . . 0.0 110.232 179.999 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 91.0 m -70.73 -39.21 73.48 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.583 1.177 . . . . 0.0 110.336 -179.926 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 9.9 tt0 -58.64 -38.82 78.92 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.464 1.103 . . . . 0.0 110.287 -179.907 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 14.1 ttpt -78.48 -31.48 47.83 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.52 1.137 . . . . 0.0 109.324 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' TRP . . . . . 0.563 ' CZ2' ' HG2' ' A' ' 45' ' ' GLN . 40.7 m0 -63.17 -29.01 70.45 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.571 1.17 . . . . 0.0 108.042 179.943 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.493 ' HB2' HD22 ' A' ' 60' ' ' LEU . . . -75.23 -11.43 60.07 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.394 1.059 . . . . 0.0 109.278 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 1.8 mm-40 -95.42 -12.24 26.28 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.536 1.148 . . . . 0.0 110.243 -179.925 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 48.4 t0 -70.87 130.2 41.02 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.466 1.103 . . . . 0.0 109.285 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -60.27 -43.62 96.04 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.543 1.152 . . . . 0.0 109.31 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . 0.645 ' CD ' HD22 ' A' ' 134' ' ' LEU . 10.2 mttt -50.0 -38.55 37.87 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.539 1.149 . . . . 0.0 109.257 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . 0.48 ' CE2' ' HB3' ' A' ' 49' ' ' TRP . 0.2 OUTLIER -76.7 -27.89 55.67 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.567 1.167 . . . . 0.0 110.94 179.979 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . 0.414 ' O ' ' C ' ' A' ' 57' ' ' SER . 13.6 p -47.39 -36.93 10.39 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.581 1.176 . . . . 0.0 109.923 -179.958 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . 0.414 ' C ' ' O ' ' A' ' 56' ' ' SER . 0.5 OUTLIER -38.58 -57.1 1.21 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.503 1.127 . . . . 0.0 109.979 -179.971 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -110.11 165.94 11.35 Favored 'General case' 0 C--N 1.323 -0.554 0 O-C-N 124.604 1.19 . . . . 0.0 109.244 -179.945 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . 0.873 ' HB2' HG23 ' A' ' 27' ' ' THR . 2.3 m-20 -88.4 120.89 30.2 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.512 1.133 . . . . 0.0 109.33 179.926 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.94 HD12 ' HZ1' ' A' ' 30' ' ' LYS . 0.8 OUTLIER -104.25 127.22 51.85 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.49 1.119 . . . . 0.0 109.385 179.951 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.505 HD13 ' O ' ' A' ' 28' ' ' LEU . 0.2 OUTLIER -152.95 160.27 3.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.478 1.111 . . . . 0.0 109.248 -179.939 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . 0.481 ' HB ' ' CD1' ' A' ' 32' ' ' TRP . 25.7 p -109.43 154.57 22.42 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.517 1.136 . . . . 0.0 110.288 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 2.6 t -126.52 139.06 52.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.548 1.155 . . . . 0.0 109.303 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -134.71 134.41 41.02 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.442 1.089 . . . . 0.0 109.389 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . 0.442 ' CB ' ' HB3' ' A' ' 68' ' ' PHE . 5.8 m -108.06 107.46 60.26 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.493 1.121 . . . . 0.0 109.995 -179.874 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . 0.437 ' HA ' ' O ' ' A' ' 72' ' ' LYS . 18.3 Cg_endo -75.01 137.65 21.97 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.518 1.799 . . . . 0.0 110.958 -179.928 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 66.85 8.23 47.1 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.391 1.057 . . . . 0.0 110.996 179.945 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . 0.519 ' CE2' HD23 ' A' ' 69' ' ' LEU . 53.6 t80 -123.58 131.94 53.75 Favored 'General case' 0 C--N 1.327 -0.401 0 O-C-N 124.454 0.738 . . . . 0.0 110.965 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.519 HD23 ' CE2' ' A' ' 68' ' ' PHE . 0.3 OUTLIER 75.89 29.5 0.8 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.417 1.073 . . . . 0.0 109.255 179.923 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER 61.59 22.8 13.21 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.51 1.131 . . . . 0.0 109.62 -179.938 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . 0.454 ' HG2' ' CD1' ' A' ' 35' ' ' TRP . 0.0 OUTLIER -88.96 155.93 19.2 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.55 1.156 . . . . 0.0 110.309 179.95 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . 0.437 ' O ' ' HA ' ' A' ' 66' ' ' PRO . 48.9 mmtt -41.62 135.81 2.05 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.513 1.133 . . . . 0.0 109.314 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 1.4 tttt -75.54 164.57 26.21 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.481 1.113 . . . . 0.0 109.231 -179.929 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -51.49 146.2 7.68 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.549 1.156 . . . . 0.0 109.297 179.938 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 84.48 -44.91 3.41 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.543 1.152 . . . . 0.0 110.998 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -68.28 -55.7 11.22 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.469 0.746 . . . . 0.0 109.41 179.92 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 57.0 t80 -56.45 -26.98 55.48 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.509 1.131 . . . . 0.0 110.972 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 7.6 mt-30 -74.09 -29.73 62.0 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.529 1.143 . . . . 0.0 110.266 -179.942 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.97 -32.69 57.45 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.547 1.155 . . . . 0.0 109.363 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' TRP . . . . . 0.631 ' HD1' HD21 ' A' ' 84' ' ' LEU . 2.0 t90 -65.51 -46.5 79.42 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.502 1.126 . . . . 0.0 108.025 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 4.6 t80 -60.83 -33.24 72.72 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.45 1.094 . . . . 0.0 111.014 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -66.21 -14.72 62.36 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.508 1.13 . . . . 0.0 109.319 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -87.99 -3.4 79.75 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.429 1.081 . . . . 0.0 111.013 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.631 HD21 ' HD1' ' A' ' 80' ' ' TRP . 0.3 OUTLIER -141.4 97.24 3.12 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.551 0.795 . . . . 0.0 109.244 -179.966 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' ASN . . . . . 0.458 ' O ' ' CG ' ' A' ' 86' ' ' TYR . 37.5 m-20 -73.65 125.53 28.25 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.397 1.061 . . . . 0.0 109.244 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 86' ' ' TYR . . . . . 0.458 ' CG ' ' O ' ' A' ' 85' ' ' ASN . 8.0 m-85 -166.44 81.62 1.01 Allowed Pre-proline 0 C--N 1.324 -0.528 0 O-C-N 124.607 1.192 . . . . 0.0 111.006 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 0.72 8.57 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.527 1.804 . . . . 0.0 111.057 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 48.2 mmtt -105.22 15.34 27.59 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.503 1.127 . . . . 0.0 109.303 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 0.737 HD12 ' HD2' ' A' ' 90' ' ' PRO . 8.8 tp -127.4 120.57 22.17 Favored Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.388 1.055 . . . . 0.0 109.276 179.935 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 90' ' ' PRO . . . . . 0.737 ' HD2' HD12 ' A' ' 89' ' ' LEU . 18.2 Cg_endo -75.09 127.43 10.61 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.543 1.812 . . . . 0.0 111.035 179.918 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . 0.425 ' O ' ' HB ' ' A' ' 11' ' ' THR . 73.1 t -135.84 124.66 38.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.485 1.116 . . . . 0.0 109.296 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . 0.621 HG21 ' OH ' ' A' ' 20' ' ' TYR . 45.6 t -121.85 131.76 72.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.492 1.12 . . . . 0.0 109.248 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 2.9 p -117.17 117.88 30.8 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.531 1.145 . . . . 0.0 110.434 179.941 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . 0.698 ' CB ' HD11 ' A' ' 9' ' ' LEU . 60.0 t0 -114.86 111.23 20.89 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.56 1.162 . . . . 0.0 109.329 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 32.5 t-20 -60.68 120.89 10.93 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.586 1.178 . . . . 0.0 109.266 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 86.68 -16.65 44.69 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.536 1.147 . . . . 0.0 110.981 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 63.82 60.6 7.1 Favored Glycine 0 CA--C 1.53 1.002 0 N-CA-C 111.001 -0.84 . . . . 0.0 111.001 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 1.9 m -56.74 -42.42 79.24 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.512 0.772 . . . . 0.0 110.414 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 99' ' ' ILE . . . . . 0.543 HD12 ' OD2' ' A' ' 94' ' ' ASP . 3.1 mt -69.43 -37.07 74.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.46 1.1 . . . . 0.0 109.317 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -68.09 -38.29 82.18 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.525 1.141 . . . . 0.0 109.288 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 6.1 mt-30 -80.58 -36.44 32.89 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.514 1.134 . . . . 0.0 110.319 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -60.53 -41.53 94.61 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.538 1.149 . . . . 0.0 109.949 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 18.5 mt -85.11 -20.07 30.9 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.555 1.159 . . . . 0.0 109.281 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 104' ' ' ASN . . . . . 0.438 ' ND2' ' O ' ' A' ' 104' ' ' ASN . 8.2 t30 67.37 53.24 0.76 Allowed 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.562 1.164 . . . . 0.0 109.305 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 105' ' ' ILE . . . . . 0.556 ' CD1' ' CE1' ' A' ' 31' ' ' PHE . 3.7 mt -87.24 -75.91 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.462 1.101 . . . . 0.0 109.258 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 1.2 m 58.98 26.63 15.28 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.547 1.155 . . . . 0.0 110.029 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 107' ' ' VAL . . . . . 0.522 HG12 ' O ' ' A' ' 105' ' ' ILE . 2.4 p -147.65 131.74 9.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.507 1.129 . . . . 0.0 109.292 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 108' ' ' TYR . . . . . 0.58 ' CE1' ' HB3' ' A' ' 31' ' ' PHE . 14.6 m-85 -131.55 151.87 79.44 Favored Pre-proline 0 C--N 1.324 -0.528 0 O-C-N 124.521 1.138 . . . . 0.0 110.98 -179.923 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 109' ' ' PRO . . . . . 0.525 ' C ' ' HA ' ' A' ' 108' ' ' TYR . 18.2 Cg_endo -75.05 171.33 68.68 Favored 'Cis proline' 0 C--N 1.362 1.24 0 C-N-CA 120.954 -2.519 . . . . 0.0 111.013 0.077 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -153.18 160.34 42.82 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.49 1.119 . . . . 0.0 109.96 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 111' ' ' TRP . . . . . 0.824 ' CE3' HD11 ' A' ' 128' ' ' ILE . 17.8 m95 -131.35 139.42 49.51 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 108.018 -1.104 . . . . 0.0 108.018 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 112' ' ' ALA . . . . . 0.429 ' O ' HD12 ' A' ' 29' ' ' ILE . . . -136.26 129.65 31.84 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.441 1.088 . . . . 0.0 109.286 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 113' ' ' LEU . . . . . 0.505 HD23 ' HB3' ' A' ' 121' ' ' GLN . 12.0 tp -110.24 134.06 52.61 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.504 1.128 . . . . 0.0 109.334 179.942 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 114' ' ' ILE . . . . . 0.527 HG13 HD11 ' A' ' 29' ' ' ILE . 4.9 mm -118.29 121.81 68.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.552 1.157 . . . . 0.0 109.305 -179.939 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -47.51 167.77 0.1 OUTLIER Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.478 1.111 . . . . 0.0 110.961 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.17 -5.41 39.06 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.432 0.725 . . . . 0.0 109.324 179.953 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -93.98 -19.82 20.55 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.423 1.077 . . . . 0.0 109.254 -179.937 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . 99.27 27.68 8.04 Favored Glycine 0 CA--C 1.532 1.11 0 O-C-N 124.486 1.117 . . . . 0.0 110.995 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 3.8 p-10 -119.6 151.47 38.61 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.585 0.814 . . . . 0.0 109.301 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 42.6 t -52.79 116.4 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.535 1.147 . . . . 0.0 109.255 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 121' ' ' GLN . . . . . 0.505 ' HB3' HD23 ' A' ' 113' ' ' LEU . 3.1 mm-40 -89.83 -61.43 1.69 Allowed 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.496 1.122 . . . . 0.0 110.353 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -158.34 140.02 13.69 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.444 1.09 . . . . 0.0 110.372 179.906 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 123' ' ' ILE . . . . . . . . . . . . . 15.0 tt -106.55 140.65 23.97 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.471 1.107 . . . . 0.0 109.303 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 3.8 t -129.52 133.11 65.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.505 1.128 . . . . 0.0 109.255 -179.933 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -109.26 116.58 32.16 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.488 1.118 . . . . 0.0 109.255 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . 119.27 164.62 12.8 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.555 1.159 . . . . 0.0 111.005 179.938 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -82.11 162.54 22.47 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.56 0.8 . . . . 0.0 109.912 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 128' ' ' ILE . . . . . 0.824 HD11 ' CE3' ' A' ' 111' ' ' TRP . 28.7 pt -139.37 168.25 18.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.469 1.106 . . . . 0.0 109.266 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 129' ' ' ASN . . . . . . . . . . . . . 3.8 p30 -106.19 169.22 8.63 Favored 'General case' 0 C--N 1.327 -0.406 0 O-C-N 124.53 1.144 . . . . 0.0 109.293 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 32.0 tt0 -50.4 -40.72 50.74 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.494 1.121 . . . . 0.0 110.219 -179.919 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -57.13 -51.72 68.16 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.52 1.137 . . . . 0.0 109.244 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 132' ' ' GLN . . . . . 0.463 ' CB ' ' HB ' ' A' ' 128' ' ' ILE . 0.0 OUTLIER -50.93 -45.87 60.68 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.489 1.118 . . . . 0.0 110.314 179.958 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 133' ' ' ALA . . . . . 0.419 ' HB1' ' CZ ' ' A' ' 55' ' ' PHE . . . -55.37 -48.1 74.79 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.503 1.127 . . . . 0.0 109.231 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 134' ' ' LEU . . . . . 0.645 HD22 ' CD ' ' A' ' 54' ' ' LYS . 16.1 mt -58.82 -47.42 84.88 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.549 1.156 . . . . 0.0 109.267 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -56.24 -33.75 65.71 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.562 1.164 . . . . 0.0 109.282 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 136' ' ' LEU . . . . . 0.508 HD21 HD13 ' A' ' 28' ' ' LEU . 1.3 tp -67.65 -48.09 67.67 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.479 1.112 . . . . 0.0 109.368 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 137' ' ' ILE . . . . . . . . . . . . . 1.5 mp -70.67 -22.61 23.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.467 1.104 . . . . 0.0 109.287 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -80.18 -47.6 14.44 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.561 1.163 . . . . 0.0 110.327 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 33.3 t0 -150.2 125.82 4.95 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.62 1.2 . . . . 0.0 109.274 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.07 -14.45 20.98 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.55 1.816 . . . . 0.0 110.875 -179.914 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 141' ' ' ASN . . . . . . . . . . . . . 89.5 m-20 -77.01 -25.83 53.12 Favored 'General case' 0 C--N 1.323 -0.555 0 O-C-N 124.513 1.133 . . . . 0.0 109.284 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -76.7 92.58 3.55 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.527 1.142 . . . . 0.0 109.332 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 143' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 171.9 157.23 0.09 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.492 1.12 . . . . 0.0 109.322 179.94 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 7.7 mt . . . . . 0 C--N 1.325 -0.464 0 O-C-N 124.411 1.069 . . . . 0.0 109.321 179.972 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.753 ' O ' HG23 ' A' ' 2' ' ' VAL . 1.3 mpt? . . . . . 0 N--CA 1.453 -0.302 0 CA-C-O 120.514 0.197 . . . . 0.0 110.976 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . 0.753 HG23 ' O ' ' A' ' 1' ' ' MET . 0.9 OUTLIER 162.13 -53.48 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.505 1.128 . . . . 0.0 109.305 -179.977 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . 0.488 ' CD ' ' N ' ' A' ' 2' ' ' VAL . 18.4 Cg_endo -75.07 -63.17 0.03 OUTLIER 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.398 1.736 . . . . 0.0 110.904 -179.954 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -61.16 -45.12 95.94 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.475 1.109 . . . . 0.0 109.626 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.598 ' O ' HD23 ' A' ' 9' ' ' LEU . 1.5 m -52.76 -54.6 31.7 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.549 1.156 . . . . 0.0 110.399 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.536 HD12 HD21 ' A' ' 21' ' ' LEU . 1.1 tm? -66.89 -52.3 44.98 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.422 1.076 . . . . 0.0 109.39 179.937 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 55.2 m -52.89 -22.76 5.9 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.451 1.095 . . . . 0.0 110.015 179.943 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 3.3 m -83.57 -20.9 32.95 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.563 1.164 . . . . 0.0 110.479 179.942 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.598 HD23 ' O ' ' A' ' 5' ' ' THR . 3.9 mm? -74.85 124.99 27.87 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.482 1.114 . . . . 0.0 109.342 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 24.1 mttt -110.93 156.83 20.63 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.471 1.107 . . . . 0.0 109.253 -179.917 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . 0.411 ' HA ' ' O ' ' A' ' 91' ' ' VAL . 7.1 p -86.98 170.77 11.29 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.422 1.076 . . . . 0.0 110.41 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -60.04 -16.33 30.32 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.451 1.094 . . . . 0.0 109.257 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -93.22 21.03 6.31 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.499 1.124 . . . . 0.0 109.245 -179.932 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 51.71 31.71 8.38 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.529 1.143 . . . . 0.0 109.189 179.936 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -103.93 148.51 35.98 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.456 1.098 . . . . 0.0 110.236 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . 0.499 ' HG2' HG23 ' A' ' 19' ' ' VAL . 18.4 Cg_endo -75.02 133.7 16.88 Favored 'Trans proline' 0 C--N 1.361 1.205 0 O-C-N 124.39 1.732 . . . . 0.0 111.009 179.931 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -66.29 -13.81 61.04 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.477 1.111 . . . . 0.0 109.308 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . 0.76 ' HA ' HD23 ' A' ' 21' ' ' LEU . 7.3 t -70.95 -18.72 62.62 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.507 1.129 . . . . 0.0 109.952 -179.904 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.499 HG23 ' HG2' ' A' ' 16' ' ' PRO . 42.7 t -56.5 -32.85 37.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.522 1.139 . . . . 0.0 109.274 179.922 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . 0.48 ' CD1' HG12 ' A' ' 19' ' ' VAL . 42.7 m-85 -120.85 25.78 9.48 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.429 1.08 . . . . 0.0 111.007 -179.953 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.76 HD23 ' HA ' ' A' ' 18' ' ' SER . 0.2 OUTLIER -58.6 109.67 0.84 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.415 1.072 . . . . 0.0 109.215 -179.9 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . 0.54 ' CG ' ' O ' ' A' ' 25' ' ' LYS . 0.0 OUTLIER -51.48 92.8 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.456 1.098 . . . . 0.0 109.355 179.951 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.504 ' O ' ' CB ' ' A' ' 24' ' ' ASP . 1.6 mttt -66.57 70.15 0.07 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.496 1.123 . . . . 0.0 109.289 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . 0.504 ' CB ' ' O ' ' A' ' 23' ' ' LYS . 1.5 t70 82.51 38.69 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.441 1.088 . . . . 0.0 109.197 179.894 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.54 ' O ' ' CG ' ' A' ' 22' ' ' LYS . 4.1 mtpt -131.55 162.47 55.96 Favored Pre-proline 0 C--N 1.324 -0.532 0 O-C-N 124.581 1.176 . . . . 0.0 109.269 179.954 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 129.7 12.57 Favored 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.462 1.77 . . . . 0.0 111.023 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 24.0 m -112.32 141.41 46.07 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.478 1.111 . . . . 0.0 110.405 -179.934 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.784 HD12 ' O ' ' A' ' 112' ' ' ALA . 33.1 tp -125.92 126.23 44.05 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.44 1.088 . . . . 0.0 109.326 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.731 ' HB ' ' HB3' ' A' ' 112' ' ' ALA . 9.2 mm -107.9 149.38 11.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.513 1.133 . . . . 0.0 109.34 179.943 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.565 ' HB2' ' CE3' ' A' ' 111' ' ' TRP . 0.4 OUTLIER -139.05 118.93 13.24 Favored 'General case' 0 C--N 1.326 -0.414 0 O-C-N 124.478 1.111 . . . . 0.0 109.274 -179.947 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . 0.561 ' HB3' ' CE1' ' A' ' 108' ' ' TYR . 45.4 m-85 -92.42 134.23 35.14 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.513 1.133 . . . . 0.0 111.102 179.885 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' TRP . . . . . 0.958 ' CH2' HD11 ' A' ' 43' ' ' LEU . 9.0 p-90 -143.49 166.62 24.28 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.529 1.143 . . . . 0.0 108.031 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -130.13 153.86 48.08 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.537 1.148 . . . . 0.0 109.26 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . 0.689 ' O ' HD11 ' A' ' 40' ' ' LEU . 5.7 m -71.52 -33.4 69.15 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.423 1.077 . . . . 0.0 110.023 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 25.1 p-90 -71.87 -12.2 61.16 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 107.957 -1.127 . . . . 0.0 107.957 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 46.6 t -88.46 113.83 57.06 Favored Pre-proline 0 C--N 1.324 -0.514 0 O-C-N 124.511 1.132 . . . . 0.0 108.33 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.08 -51.76 0.11 Allowed 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.503 1.791 . . . . 0.0 111.028 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -49.68 -32.66 13.77 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.575 1.172 . . . . 0.0 109.305 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 1.8 m -74.97 -49.02 21.41 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.559 1.162 . . . . 0.0 108.343 179.946 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.689 HD11 ' O ' ' A' ' 34' ' ' SER . 6.1 mt -51.46 -42.89 61.92 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.634 1.209 . . . . 0.0 109.339 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.1 p -76.16 -25.46 55.28 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.538 1.149 . . . . 0.0 110.087 179.914 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 16.1 tt0 -81.27 -11.38 59.38 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.514 1.134 . . . . 0.0 110.316 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.958 HD11 ' CH2' ' A' ' 32' ' ' TRP . 15.6 mt -55.92 -53.35 57.84 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.514 1.134 . . . . 0.0 109.282 -179.924 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -55.07 -45.99 79.73 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.484 1.115 . . . . 0.0 110.983 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -61.64 -33.51 74.07 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.519 0.776 . . . . 0.0 110.367 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 50.2 m -69.1 -36.75 77.89 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.469 1.106 . . . . 0.0 110.407 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 21.4 tt0 -68.45 -42.3 79.01 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.503 1.127 . . . . 0.0 110.228 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 7.8 tttp -64.57 -33.37 75.77 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.461 1.101 . . . . 0.0 109.322 -179.915 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' TRP . . . . . 0.503 ' CE3' ' CZ ' ' A' ' 55' ' ' PHE . 28.3 m0 -70.86 -34.3 71.5 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 107.976 -1.12 . . . . 0.0 107.976 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -77.45 -11.74 59.88 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.539 1.149 . . . . 0.0 109.337 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 1.6 mt-30 -101.72 -12.54 18.29 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.574 1.171 . . . . 0.0 110.365 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 53.3 t0 -73.1 130.11 39.57 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.561 1.163 . . . . 0.0 109.308 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -62.1 -34.64 76.71 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.572 1.17 . . . . 0.0 109.272 -179.944 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . 0.426 ' HD2' HD13 ' A' ' 134' ' ' LEU . 0.0 OUTLIER -58.09 -39.91 79.77 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.458 1.099 . . . . 0.0 109.317 179.987 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . 0.508 ' CE1' HD12 ' A' ' 60' ' ' LEU . 1.6 m-85 -75.81 -27.37 57.91 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.535 1.147 . . . . 0.0 111.045 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . 0.402 ' O ' ' C ' ' A' ' 57' ' ' SER . 0.2 OUTLIER -45.78 -43.03 12.78 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.541 1.151 . . . . 0.0 110.1 179.931 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . 0.402 ' C ' ' O ' ' A' ' 56' ' ' SER . 2.7 m -38.9 -32.85 0.09 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.487 1.117 . . . . 0.0 109.92 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . 0.402 ' O ' ' O ' ' A' ' 55' ' ' PHE . . . -130.71 165.71 22.31 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.496 1.122 . . . . 0.0 109.347 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . 0.452 ' ND2' ' O ' ' A' ' 20' ' ' TYR . 3.1 m-20 -89.11 133.75 34.26 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.441 1.088 . . . . 0.0 109.33 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.772 HD23 ' N ' ' A' ' 61' ' ' ILE . 3.3 tt -124.87 125.76 44.47 Favored 'General case' 0 C--N 1.323 -0.568 0 O-C-N 124.584 1.178 . . . . 0.0 109.298 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.772 ' N ' HD23 ' A' ' 60' ' ' LEU . 26.2 pt -153.75 160.35 2.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.462 1.101 . . . . 0.0 109.318 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 17.8 p -109.93 157.15 19.55 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.519 1.137 . . . . 0.0 110.455 179.935 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 2.8 t -128.37 144.24 38.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.522 1.139 . . . . 0.0 109.338 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . 0.653 ' CB ' ' CZ ' ' A' ' 77' ' ' PHE . . . -134.07 141.45 47.18 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.526 1.141 . . . . 0.0 109.276 179.924 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . 0.409 ' CB ' ' HB3' ' A' ' 68' ' ' PHE . 77.6 p -117.95 108.74 42.06 Favored Pre-proline 0 C--N 1.326 -0.443 0 O-C-N 124.534 1.146 . . . . 0.0 109.923 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . 0.467 ' HA ' ' O ' ' A' ' 72' ' ' LYS . 18.0 Cg_endo -75.0 137.84 22.25 Favored 'Trans proline' 0 C--N 1.361 1.209 0 O-C-N 124.448 1.762 . . . . 0.0 111.012 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 68.16 10.87 60.33 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.478 1.111 . . . . 0.0 111.077 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . 0.681 ' CE1' HD23 ' A' ' 69' ' ' LEU . 47.9 t80 -122.39 124.94 44.82 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.608 0.828 . . . . 0.0 111.052 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.681 HD23 ' CE1' ' A' ' 68' ' ' PHE . 0.4 OUTLIER 76.23 33.71 0.54 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.43 1.081 . . . . 0.0 109.292 -179.979 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 28.0 m170 65.73 12.75 8.52 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.418 1.074 . . . . 0.0 109.598 179.908 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . 0.411 ' HA ' ' OE1' ' A' ' 71' ' ' GLU . 14.9 tp10 -75.96 151.22 37.31 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.493 1.12 . . . . 0.0 110.29 -179.938 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . 0.467 ' O ' ' HA ' ' A' ' 66' ' ' PRO . 9.1 mmtm -43.52 165.25 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.493 1.12 . . . . 0.0 109.313 179.922 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -96.53 155.44 16.77 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.5 1.125 . . . . 0.0 109.275 179.941 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -46.9 144.73 2.31 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.468 1.105 . . . . 0.0 109.32 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 87.54 -50.11 3.98 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.456 1.097 . . . . 0.0 111.051 -179.942 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -72.27 -32.0 66.26 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.552 0.795 . . . . 0.0 109.324 179.946 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' PHE . . . . . 0.653 ' CZ ' ' CB ' ' A' ' 64' ' ' ALA . 42.3 t80 -76.26 -57.25 3.98 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.486 1.116 . . . . 0.0 110.975 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 17.8 pt20 -50.97 -28.8 10.65 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.528 1.142 . . . . 0.0 110.282 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 2.2 mttt -74.45 -39.7 62.38 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.51 1.131 . . . . 0.0 109.295 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' TRP . . . . . . . . . . . . . 2.4 t90 -53.35 -52.44 59.2 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.499 1.124 . . . . 0.0 107.97 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' TYR . . . . . 0.811 ' HA ' HD12 ' A' ' 84' ' ' LEU . 0.5 OUTLIER -62.92 -36.08 82.21 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.548 1.155 . . . . 0.0 111.031 179.996 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -63.46 -15.48 57.85 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.552 1.158 . . . . 0.0 109.3 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -102.98 -5.7 46.81 Favored Glycine 0 CA--C 1.531 1.063 0 O-C-N 124.549 1.156 . . . . 0.0 111.01 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.811 HD12 ' HA ' ' A' ' 81' ' ' TYR . 46.2 mt -87.91 165.72 15.05 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.551 0.795 . . . . 0.0 109.365 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -91.58 -166.53 1.58 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.515 1.135 . . . . 0.0 109.305 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 86' ' ' TYR . . . . . 0.401 ' N ' ' HD3' ' A' ' 87' ' ' PRO . 14.9 m-30 51.02 64.3 8.39 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.557 1.161 . . . . 0.0 110.918 179.939 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 87' ' ' PRO . . . . . 0.401 ' HD3' ' N ' ' A' ' 86' ' ' TYR . 18.4 Cg_endo -75.06 46.45 1.55 Allowed 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.534 1.808 . . . . 0.0 110.966 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -141.93 12.56 2.04 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.451 1.094 . . . . 0.0 109.334 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 0.937 HD12 ' HD2' ' A' ' 90' ' ' PRO . 0.1 OUTLIER -99.1 135.73 20.73 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.535 1.147 . . . . 0.0 109.288 -179.939 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 90' ' ' PRO . . . . . 0.937 ' HD2' HD12 ' A' ' 89' ' ' LEU . 18.1 Cg_endo -75.1 126.86 10.18 Favored 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.41 1.742 . . . . 0.0 110.929 -179.94 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . 0.411 ' O ' ' HA ' ' A' ' 11' ' ' THR . 13.9 t -141.69 118.39 7.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.52 1.138 . . . . 0.0 109.302 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . 0.494 HG21 HD12 ' A' ' 61' ' ' ILE . 44.8 t -111.58 137.82 42.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.557 1.16 . . . . 0.0 109.317 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . 0.527 HG22 ' CE1' ' A' ' 77' ' ' PHE . 5.7 p -117.53 119.17 34.21 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.5 1.125 . . . . 0.0 110.406 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . 0.4 ' OD2' HD12 ' A' ' 99' ' ' ILE . 62.7 t0 -114.77 111.02 20.6 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.481 1.113 . . . . 0.0 109.286 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 5.6 m120 -60.94 115.94 4.09 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.602 1.189 . . . . 0.0 109.237 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 87.0 -18.44 35.78 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.423 1.077 . . . . 0.0 110.954 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 97' ' ' GLY . . . . . 0.415 ' O ' ' N ' ' A' ' 101' ' ' GLN . . . 64.44 71.61 0.83 Allowed Glycine 0 CA--C 1.53 1.004 0 N-CA-C 110.955 -0.858 . . . . 0.0 110.955 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 1.4 m -62.04 -51.87 66.26 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.49 0.759 . . . . 0.0 110.353 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 99' ' ' ILE . . . . . 0.4 HD12 ' OD2' ' A' ' 94' ' ' ASP . 2.7 mp -64.43 -33.39 62.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.463 1.102 . . . . 0.0 109.316 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -74.29 -34.11 63.43 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.424 1.077 . . . . 0.0 109.32 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 101' ' ' GLN . . . . . 0.415 ' N ' ' O ' ' A' ' 97' ' ' GLY . 0.0 OUTLIER -80.1 -40.19 28.03 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.5 1.125 . . . . 0.0 110.345 179.947 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -60.59 -31.3 70.46 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.511 1.132 . . . . 0.0 110.008 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . 0.618 HD13 HD12 ' A' ' 123' ' ' ILE . 20.3 mt -98.66 -11.42 22.05 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.552 1.158 . . . . 0.0 109.309 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 51.1 t30 62.93 58.02 1.57 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.51 1.131 . . . . 0.0 109.297 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 105' ' ' ILE . . . . . 0.552 HG12 HD11 ' A' ' 123' ' ' ILE . 4.5 mt -100.04 104.9 16.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.482 1.114 . . . . 0.0 109.37 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -121.6 24.2 9.91 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.483 1.115 . . . . 0.0 109.966 -179.881 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 2.0 p -135.4 132.61 52.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.422 1.076 . . . . 0.0 109.273 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 108' ' ' TYR . . . . . 0.561 ' CE1' ' HB3' ' A' ' 31' ' ' PHE . 20.7 m-85 -130.61 152.31 80.2 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.505 1.128 . . . . 0.0 111.052 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 109' ' ' PRO . . . . . 0.53 ' C ' ' HA ' ' A' ' 108' ' ' TYR . 18.4 Cg_endo -74.98 161.25 95.23 Favored 'Cis proline' 0 C--N 1.359 1.112 0 C-N-CA 120.978 -2.509 . . . . 0.0 110.957 0.002 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 110' ' ' SER . . . . . 0.402 ' O ' ' HA ' ' A' ' 30' ' ' LYS . 1.0 OUTLIER -133.88 158.05 44.4 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.459 1.099 . . . . 0.0 110.037 180.0 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 111' ' ' TRP . . . . . 0.565 ' CE3' ' HB2' ' A' ' 30' ' ' LYS . 94.5 m95 -132.43 140.6 48.5 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.572 1.17 . . . . 0.0 108.055 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 112' ' ' ALA . . . . . 0.784 ' O ' HD12 ' A' ' 28' ' ' LEU . . . -126.21 135.46 51.64 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.531 1.145 . . . . 0.0 109.251 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 113' ' ' LEU . . . . . 0.769 HD21 ' HB2' ' A' ' 143' ' ' ASP . 20.0 tp -109.18 130.45 55.49 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.545 1.153 . . . . 0.0 109.324 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 114' ' ' ILE . . . . . 0.66 HD13 ' HA ' ' A' ' 120' ' ' VAL . 7.4 mm -122.63 113.97 40.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.453 1.096 . . . . 0.0 109.309 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 115' ' ' GLY . . . . . 0.432 ' N ' ' O ' ' A' ' 119' ' ' ASP . . . -41.82 164.35 0.02 OUTLIER Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.518 1.136 . . . . 0.0 111.02 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -67.5 -26.59 66.42 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.526 0.78 . . . . 0.0 109.34 179.949 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -71.68 -9.63 58.56 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.467 1.104 . . . . 0.0 109.254 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . 86.52 35.83 10.14 Favored Glycine 0 CA--C 1.529 0.945 0 O-C-N 124.539 1.149 . . . . 0.0 110.994 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 119' ' ' ASP . . . . . 0.432 ' O ' ' N ' ' A' ' 115' ' ' GLY . 1.9 p30 -127.65 148.26 50.38 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.547 0.792 . . . . 0.0 109.385 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 120' ' ' VAL . . . . . 0.66 ' HA ' HD13 ' A' ' 114' ' ' ILE . 92.7 t -50.08 118.98 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 O-C-N 124.444 1.09 . . . . 0.0 109.239 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 121' ' ' GLN . . . . . 0.736 ' HG2' HD23 ' A' ' 113' ' ' LEU . 0.7 OUTLIER -93.14 -62.26 1.41 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.567 1.167 . . . . 0.0 110.372 179.866 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -158.33 158.27 34.02 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.457 1.098 . . . . 0.0 110.323 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 123' ' ' ILE . . . . . 0.618 HD12 HD13 ' A' ' 103' ' ' LEU . 5.3 tt -110.65 134.37 53.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.507 1.129 . . . . 0.0 109.262 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 79.6 t -123.91 115.93 46.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.484 1.115 . . . . 0.0 109.259 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 21.8 mtmt -107.05 114.73 28.98 Favored 'General case' 0 C--N 1.327 -0.412 0 O-C-N 124.541 1.151 . . . . 0.0 109.318 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . 141.56 -154.07 24.48 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.539 1.149 . . . . 0.0 110.939 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -123.39 144.36 49.53 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.527 0.78 . . . . 0.0 109.987 -179.945 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 128' ' ' ILE . . . . . . . . . . . . . 12.7 pt -129.18 162.2 37.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.463 1.102 . . . . 0.0 109.278 -179.933 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 129' ' ' ASN . . . . . 0.448 ' OD1' ' HB3' ' A' ' 131' ' ' ALA . 2.2 p30 -110.29 168.42 9.46 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.484 1.115 . . . . 0.0 109.358 179.887 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 130' ' ' GLU . . . . . 0.502 ' N ' ' CZ2' ' A' ' 49' ' ' TRP . 20.1 tt0 -57.59 -22.93 48.03 Favored 'General case' 0 C--N 1.327 -0.406 0 O-C-N 124.473 1.108 . . . . 0.0 110.353 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 131' ' ' ALA . . . . . 0.448 ' HB3' ' OD1' ' A' ' 129' ' ' ASN . . . -68.87 -54.16 17.22 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.545 1.153 . . . . 0.0 109.284 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 132' ' ' GLN . . . . . 0.502 ' O ' ' HB3' ' A' ' 135' ' ' ALA . 4.6 mt-30 -50.67 -48.62 58.36 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.485 1.115 . . . . 0.0 110.288 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -50.2 -52.66 33.87 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.476 1.11 . . . . 0.0 109.324 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 134' ' ' LEU . . . . . 0.426 HD13 ' HD2' ' A' ' 54' ' ' LYS . 3.6 mt -53.89 -41.03 67.14 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.471 1.107 . . . . 0.0 109.364 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 135' ' ' ALA . . . . . 0.502 ' HB3' ' O ' ' A' ' 132' ' ' GLN . . . -57.78 -23.44 52.31 Favored 'General case' 0 C--N 1.327 -0.398 0 O-C-N 124.52 1.137 . . . . 0.0 109.32 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 136' ' ' LEU . . . . . 0.458 ' HA ' ' HB1' ' A' ' 142' ' ' ALA . 22.1 mt -74.58 -42.58 58.47 Favored 'General case' 0 C--N 1.327 -0.397 0 O-C-N 124.44 1.087 . . . . 0.0 109.225 -179.926 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 137' ' ' ILE . . . . . . . . . . . . . 2.9 mt -82.92 -19.02 10.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.525 1.141 . . . . 0.0 109.291 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 138' ' ' ARG . . . . . 0.408 ' N ' ' O ' ' A' ' 134' ' ' LEU . 0.0 OUTLIER -79.74 -47.76 14.75 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.5 1.125 . . . . 0.0 110.321 179.99 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 139' ' ' ASP . . . . . 0.476 ' HB3' ' HB3' ' A' ' 142' ' ' ALA . 2.4 t70 -90.74 137.65 26.87 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.466 1.104 . . . . 0.0 109.29 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 -28.29 9.38 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.548 1.815 . . . . 0.0 111.067 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 141' ' ' ASN . . . . . . . . . . . . . 73.0 m-20 -81.53 -12.48 58.8 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.631 1.207 . . . . 0.0 109.223 -179.935 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 142' ' ' ALA . . . . . 0.476 ' HB3' ' HB3' ' A' ' 139' ' ' ASP . . . -96.6 65.25 2.22 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.5 1.125 . . . . 0.0 109.332 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 143' ' ' ASP . . . . . 0.769 ' HB2' HD21 ' A' ' 113' ' ' LEU . 30.5 t70 60.99 149.52 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.482 1.114 . . . . 0.0 109.322 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.325 -0.495 0 O-C-N 124.536 1.148 . . . . 0.0 109.291 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.329 0 CA-C-O 120.582 0.23 . . . . 0.0 110.997 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . 0.568 ' O ' HG23 ' A' ' 2' ' ' VAL . 31.5 m -132.21 67.03 78.58 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.369 1.043 . . . . 0.0 109.294 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 -48.75 0.17 Allowed 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.399 1.736 . . . . 0.0 111.027 179.942 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . 0.485 ' O ' ' CB ' ' A' ' 8' ' ' THR . 5.4 p80 -51.28 -35.36 37.15 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.435 1.084 . . . . 0.0 109.576 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.621 ' O ' HD23 ' A' ' 9' ' ' LEU . 3.1 m -68.29 -49.04 63.22 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.525 1.141 . . . . 0.0 110.408 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 4.3 tp -63.81 -41.2 97.93 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.509 1.13 . . . . 0.0 109.228 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 5.5 m -75.38 -22.67 57.31 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.445 1.09 . . . . 0.0 109.977 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . 0.485 ' CB ' ' O ' ' A' ' 4' ' ' HIS . 1.0 OUTLIER -70.93 -21.78 62.31 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.464 1.103 . . . . 0.0 110.398 -179.955 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.69 HD11 ' CB ' ' A' ' 94' ' ' ASP . 3.9 mm? -55.06 138.32 44.38 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.561 1.163 . . . . 0.0 109.22 -179.912 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.418 ' HA ' ' O ' ' A' ' 15' ' ' ARG . 0.1 OUTLIER -122.54 142.55 50.49 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.48 1.113 . . . . 0.0 109.249 179.975 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . 0.779 HG22 HG22 ' A' ' 92' ' ' VAL . 76.6 p -84.57 168.26 15.54 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.406 1.066 . . . . 0.0 110.465 179.939 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -56.49 -18.76 12.53 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.521 1.138 . . . . 0.0 109.276 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -91.92 13.35 18.8 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.399 1.062 . . . . 0.0 109.314 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 58.83 27.87 16.68 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.533 1.146 . . . . 0.0 109.234 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . 0.418 ' O ' ' HA ' ' A' ' 10' ' ' LYS . 0.3 OUTLIER -98.25 155.85 36.47 Favored Pre-proline 0 C--N 1.326 -0.444 0 O-C-N 124.543 1.152 . . . . 0.0 110.304 179.92 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . 0.899 ' O ' HG22 ' A' ' 19' ' ' VAL . 18.1 Cg_endo -75.09 127.22 10.45 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.554 1.818 . . . . 0.0 111.005 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -47.55 -28.01 2.07 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 0.0 109.262 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -55.75 -18.95 9.47 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.554 1.159 . . . . 0.0 110.004 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.899 HG22 ' O ' ' A' ' 16' ' ' PRO . 3.6 m -48.33 -45.24 13.54 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.396 1.06 . . . . 0.0 109.269 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 11.8 m-85 -112.53 24.32 12.62 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.577 1.173 . . . . 0.0 110.958 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.521 ' HG ' HG21 ' A' ' 27' ' ' THR . 0.2 OUTLIER -134.64 102.66 5.36 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.434 1.084 . . . . 0.0 109.318 179.996 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . 0.511 ' CB ' ' O ' ' A' ' 21' ' ' LEU . 0.1 OUTLIER 163.39 -171.64 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.512 1.133 . . . . 0.0 109.309 179.946 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 66.88 25.73 9.44 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.437 1.086 . . . . 0.0 109.353 -179.936 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 43.16 36.54 1.01 Allowed 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.466 1.104 . . . . 0.0 109.302 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 1.9 mttt -105.96 162.19 20.47 Favored Pre-proline 0 C--N 1.324 -0.519 0 O-C-N 124.471 1.107 . . . . 0.0 109.244 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 145.49 31.43 Favored 'Trans proline' 0 C--N 1.361 1.205 0 O-C-N 124.378 1.725 . . . . 0.0 110.979 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . 0.521 HG21 ' HG ' ' A' ' 21' ' ' LEU . 20.3 m -117.18 142.47 46.99 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.456 1.098 . . . . 0.0 110.364 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.497 HD12 ' HA ' ' A' ' 113' ' ' LEU . 10.9 tp -124.34 127.69 47.98 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.506 1.128 . . . . 0.0 109.366 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.622 HD12 HD13 ' A' ' 114' ' ' ILE . 2.0 mt -108.94 149.83 11.97 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.543 1.152 . . . . 0.0 109.304 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.448 ' HG3' ' CZ2' ' A' ' 111' ' ' TRP . 2.6 tmtt? -138.77 110.73 7.24 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.456 1.097 . . . . 0.0 109.265 -179.955 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . 0.572 ' HB3' ' CE1' ' A' ' 108' ' ' TYR . 55.3 m-85 -82.49 126.01 31.75 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.465 1.103 . . . . 0.0 110.982 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' TRP . . . . . 0.53 ' CE3' HD21 ' A' ' 43' ' ' LEU . 5.1 p-90 -130.21 167.48 18.35 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.564 1.165 . . . . 0.0 107.917 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . 0.634 ' HB1' ' NE1' ' A' ' 35' ' ' TRP . . . -136.49 126.77 26.47 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.467 1.104 . . . . 0.0 109.254 179.945 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -54.46 -27.39 37.14 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.464 1.102 . . . . 0.0 110.061 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' TRP . . . . . 0.634 ' NE1' ' HB1' ' A' ' 33' ' ' ALA . 21.9 p-90 -77.37 -23.8 50.73 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 107.979 -1.119 . . . . 0.0 107.979 179.943 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . 0.415 ' N ' ' O ' ' A' ' 33' ' ' ALA . 42.8 t -75.5 115.03 41.82 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.483 1.115 . . . . 0.0 108.336 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -33.62 4.45 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.519 1.799 . . . . 0.0 111.01 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -65.49 -35.08 79.84 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.511 1.132 . . . . 0.0 109.269 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . 0.444 ' O ' ' N ' ' A' ' 43' ' ' LEU . 47.2 m -69.11 -48.31 62.87 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.59 1.181 . . . . 0.0 108.269 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 73.8 mt -51.46 -47.88 62.98 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.533 1.146 . . . . 0.0 109.385 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.1 p -68.52 -25.23 64.84 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.536 1.148 . . . . 0.0 110.013 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -82.56 -26.5 32.35 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.493 1.121 . . . . 0.0 110.238 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.641 ' O ' HD11 ' A' ' 89' ' ' LEU . 48.9 mt -44.08 -52.89 6.83 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.454 1.096 . . . . 0.0 109.364 179.899 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -57.87 -48.63 80.97 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.425 1.078 . . . . 0.0 110.967 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . 0.424 ' CD ' ' CZ2' ' A' ' 49' ' ' TRP . 36.4 tt0 -61.75 -31.22 71.39 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.454 0.738 . . . . 0.0 110.28 -179.944 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 28.0 m -69.43 -34.6 74.68 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.469 1.106 . . . . 0.0 110.384 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -68.25 -41.84 80.56 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.122 . . . . 0.0 110.279 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 7.1 tttm -68.9 -35.37 76.77 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.464 1.103 . . . . 0.0 109.391 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' TRP . . . . . 0.424 ' CZ2' ' CD ' ' A' ' 45' ' ' GLN . 44.2 m0 -72.19 -31.98 66.39 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.464 1.102 . . . . 0.0 108.086 179.849 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -76.75 -9.4 58.65 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.485 1.115 . . . . 0.0 109.29 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 2.1 mm-40 -104.91 -14.59 15.42 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.48 1.112 . . . . 0.0 110.211 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . 0.426 ' OD1' ' N ' ' A' ' 54' ' ' LYS . 24.1 t0 -65.18 128.59 36.43 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.482 1.114 . . . . 0.0 109.383 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -54.4 -47.87 72.23 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.458 1.099 . . . . 0.0 109.346 -179.918 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . 0.426 ' N ' ' OD1' ' A' ' 52' ' ' ASP . 3.3 mmmt -48.94 -38.42 22.84 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.467 1.105 . . . . 0.0 109.341 179.947 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . 0.996 ' CE1' HD12 ' A' ' 60' ' ' LEU . 1.1 m-85 -76.53 -30.41 57.12 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.484 1.115 . . . . 0.0 111.061 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 1.4 t -46.53 -40.0 11.87 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.455 1.097 . . . . 0.0 109.983 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 70.0 m -39.43 -60.23 0.97 Allowed 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.427 1.079 . . . . 0.0 109.97 -179.95 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -102.87 165.6 10.95 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.535 1.147 . . . . 0.0 109.364 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 67.8 m-20 -89.13 130.85 35.5 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.452 1.095 . . . . 0.0 109.281 179.936 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.996 HD12 ' CE1' ' A' ' 55' ' ' PHE . 3.5 tt -119.69 126.04 50.14 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.461 1.101 . . . . 0.0 109.333 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.74 ' N ' HD23 ' A' ' 60' ' ' LEU . 9.4 pt -152.77 160.25 3.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.528 1.142 . . . . 0.0 109.404 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . 0.507 ' HB ' ' CD1' ' A' ' 32' ' ' TRP . 30.4 p -109.61 153.55 24.03 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.493 1.121 . . . . 0.0 110.376 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . 0.45 ' HB ' ' CG2' ' A' ' 29' ' ' ILE . 1.2 t -125.13 144.73 34.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.554 1.159 . . . . 0.0 109.294 -179.953 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . 0.591 ' CB ' ' CZ ' ' A' ' 77' ' ' PHE . . . -134.53 138.22 44.48 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.562 1.164 . . . . 0.0 109.317 -179.933 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . 0.405 ' CB ' ' HB3' ' A' ' 68' ' ' PHE . 1.8 m -110.89 107.83 57.8 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.478 1.111 . . . . 0.0 109.976 -179.909 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . 0.457 ' HA ' ' O ' ' A' ' 72' ' ' LYS . 18.1 Cg_endo -74.95 134.03 17.39 Favored 'Trans proline' 0 C--N 1.358 1.074 0 O-C-N 124.529 1.805 . . . . 0.0 111.014 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 69.31 5.84 50.99 Favored Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.509 1.131 . . . . 0.0 110.941 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . 0.711 ' CE2' HD23 ' A' ' 69' ' ' LEU . 73.1 t80 -127.94 135.01 49.36 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.55 0.794 . . . . 0.0 110.975 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.711 HD23 ' CE2' ' A' ' 68' ' ' PHE . 0.2 OUTLIER 74.79 25.76 1.44 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.374 1.046 . . . . 0.0 109.288 179.995 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 28.5 m170 63.26 22.41 13.32 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.438 1.086 . . . . 0.0 109.547 179.908 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . 0.411 ' OE2' ' CD1' ' A' ' 35' ' ' TRP . 0.2 OUTLIER -86.83 149.6 24.72 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.461 1.101 . . . . 0.0 110.303 -179.99 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . 0.457 ' O ' ' HA ' ' A' ' 66' ' ' PRO . 3.2 mmpt? -39.78 153.97 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.482 1.114 . . . . 0.0 109.314 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 5.1 tttt -83.04 152.79 25.23 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.46 1.1 . . . . 0.0 109.304 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -48.54 152.32 0.96 Allowed 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.531 1.145 . . . . 0.0 109.35 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 79.83 -51.8 4.1 Favored Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.543 1.152 . . . . 0.0 110.98 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -71.52 -29.19 64.5 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.483 0.755 . . . . 0.0 109.301 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' PHE . . . . . 0.596 ' CE1' ' CG2' ' A' ' 93' ' ' THR . 16.8 t80 -77.66 -57.05 4.02 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.525 1.141 . . . . 0.0 110.957 -179.948 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 16.2 pt20 -51.0 -27.99 8.96 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.485 1.116 . . . . 0.0 110.294 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 3.4 mtmt -74.89 -39.46 61.47 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.556 1.16 . . . . 0.0 109.294 -179.919 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' TRP . . . . . . . . . . . . . 2.5 t90 -53.71 -50.81 65.09 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.554 1.159 . . . . 0.0 107.947 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' TYR . . . . . 0.478 ' CD1' ' C ' ' A' ' 81' ' ' TYR . 0.6 OUTLIER -61.99 -33.15 73.8 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.504 1.127 . . . . 0.0 110.947 -179.878 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -67.11 -15.43 63.71 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.488 1.117 . . . . 0.0 109.245 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -107.79 15.9 37.18 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.497 1.123 . . . . 0.0 111.084 179.924 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 73.3 mt -114.68 165.07 13.19 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.476 0.75 . . . . 0.0 109.243 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 16.4 t30 -86.99 -164.18 1.03 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.443 1.089 . . . . 0.0 109.289 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 86' ' ' TYR . . . . . 0.575 ' CB ' HD12 ' A' ' 89' ' ' LEU . 1.6 m-85 56.86 79.93 0.31 Allowed Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.492 1.12 . . . . 0.0 111.023 -179.955 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -3.32 13.75 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.45 1.763 . . . . 0.0 110.946 -179.921 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -105.36 15.26 27.54 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.459 1.099 . . . . 0.0 109.273 -179.907 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 0.724 HD23 ' HD2' ' A' ' 90' ' ' PRO . 0.3 OUTLIER -91.21 120.57 68.45 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.562 1.164 . . . . 0.0 109.335 179.988 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 90' ' ' PRO . . . . . 0.724 ' HD2' HD23 ' A' ' 89' ' ' LEU . 18.4 Cg_endo -74.95 127.0 10.37 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.484 1.781 . . . . 0.0 111.007 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . 0.425 ' O ' ' HB ' ' A' ' 11' ' ' THR . 38.2 t -140.32 125.06 19.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.513 1.133 . . . . 0.0 109.297 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . 0.779 HG22 HG22 ' A' ' 11' ' ' THR . 30.4 t -123.16 134.98 64.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.467 1.105 . . . . 0.0 109.3 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . 0.596 ' CG2' ' CE1' ' A' ' 77' ' ' PHE . 2.0 p -112.69 117.54 32.52 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.463 1.102 . . . . 0.0 110.468 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . 0.69 ' CB ' HD11 ' A' ' 9' ' ' LEU . 62.3 t0 -115.0 111.52 21.26 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.561 1.163 . . . . 0.0 109.312 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 11.8 t-20 -58.91 118.8 6.18 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.429 1.081 . . . . 0.0 109.331 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 86.7 -16.56 45.32 Favored Glycine 0 CA--C 1.529 0.93 0 O-C-N 124.484 1.115 . . . . 0.0 111.081 -179.947 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 67.12 58.96 7.37 Favored Glycine 0 CA--C 1.53 1.026 0 N-CA-C 110.991 -0.844 . . . . 0.0 110.991 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 98' ' ' THR . . . . . 0.432 ' O ' ' CB ' ' A' ' 102' ' ' SER . 15.6 m -53.05 -32.09 45.03 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.491 0.76 . . . . 0.0 110.351 -179.951 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 99' ' ' ILE . . . . . 0.753 ' N ' HD13 ' A' ' 99' ' ' ILE . 1.1 mm -73.55 -36.45 47.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.616 1.198 . . . . 0.0 109.258 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . 0.404 ' O ' ' N ' ' A' ' 105' ' ' ILE . . . -77.05 -40.21 47.15 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.571 1.169 . . . . 0.0 109.297 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 2.6 tt0 -73.36 -32.55 64.58 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.485 1.116 . . . . 0.0 110.226 -179.94 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . 0.432 ' CB ' ' O ' ' A' ' 98' ' ' THR . 30.6 t -68.04 -34.6 76.78 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.435 1.085 . . . . 0.0 109.956 -179.95 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . 1.049 HD21 HG11 ' A' ' 120' ' ' VAL . 15.2 mt -109.37 13.39 24.21 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.545 1.153 . . . . 0.0 109.265 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 12.3 t30 40.92 73.12 0.13 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.453 1.096 . . . . 0.0 109.304 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 105' ' ' ILE . . . . . 0.954 HD11 HD11 ' A' ' 123' ' ' ILE . 61.6 mt -110.65 133.05 57.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.4 1.062 . . . . 0.0 109.371 179.919 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . 0.41 ' HA ' HD21 ' A' ' 69' ' ' LEU . 13.1 p -146.43 33.91 0.96 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.46 1.1 . . . . 0.0 110.011 -179.924 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 2.0 p -147.17 132.33 11.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.548 1.155 . . . . 0.0 109.357 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 108' ' ' TYR . . . . . 0.572 ' CE1' ' HB3' ' A' ' 31' ' ' PHE . 23.0 m-85 -131.03 152.73 81.19 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.499 1.124 . . . . 0.0 111.016 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 109' ' ' PRO . . . . . 0.523 ' C ' ' HA ' ' A' ' 108' ' ' TYR . 18.3 Cg_endo -75.09 157.98 99.18 Favored 'Cis proline' 0 C--N 1.359 1.115 0 C-N-CA 121.04 -2.483 . . . . 0.0 110.979 0.104 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 110' ' ' SER . . . . . 0.414 ' O ' ' HA ' ' A' ' 30' ' ' LYS . 0.4 OUTLIER -130.71 161.0 32.63 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.54 1.15 . . . . 0.0 110.055 -180.0 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 111' ' ' TRP . . . . . 0.448 ' CZ2' ' HG3' ' A' ' 30' ' ' LYS . 76.1 m95 -135.64 139.65 43.93 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 108.016 -1.105 . . . . 0.0 108.016 179.941 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 112' ' ' ALA . . . . . 0.498 ' HB3' ' HB ' ' A' ' 29' ' ' ILE . . . -131.19 132.23 44.56 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.379 1.049 . . . . 0.0 109.236 -179.947 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 113' ' ' LEU . . . . . 0.681 ' C ' HD12 ' A' ' 114' ' ' ILE . 16.6 tp -108.3 126.83 53.28 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.52 1.138 . . . . 0.0 109.285 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 114' ' ' ILE . . . . . 0.681 HD12 ' C ' ' A' ' 113' ' ' LEU . 1.7 mp -113.72 132.8 61.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.508 1.13 . . . . 0.0 109.278 179.941 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 115' ' ' GLY . . . . . 0.416 ' N ' ' HB2' ' A' ' 121' ' ' GLN . . . -52.41 169.67 0.62 Allowed Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.489 1.118 . . . . 0.0 111.016 179.961 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.18 -13.76 62.6 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.565 0.803 . . . . 0.0 109.309 -179.944 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -85.85 -17.57 35.25 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.511 1.132 . . . . 0.0 109.28 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 118' ' ' GLY . . . . . 0.428 ' HA2' ' CG2' ' A' ' 114' ' ' ILE . . . 96.89 32.7 6.38 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.606 1.191 . . . . 0.0 110.982 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 119' ' ' ASP . . . . . 0.514 ' N ' HG23 ' A' ' 114' ' ' ILE . 0.9 OUTLIER -124.72 142.37 51.44 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.557 0.798 . . . . 0.0 109.367 179.922 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 120' ' ' VAL . . . . . 1.049 HG11 HD21 ' A' ' 103' ' ' LEU . 75.1 t -44.69 118.56 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.444 1.09 . . . . 0.0 109.353 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 121' ' ' GLN . . . . . 0.416 ' HB2' ' N ' ' A' ' 115' ' ' GLY . 3.0 tt0 -98.98 -57.54 2.15 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.534 1.147 . . . . 0.0 110.237 -179.912 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -147.83 140.68 24.81 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.533 1.146 . . . . 0.0 110.337 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 123' ' ' ILE . . . . . 0.954 HD11 HD11 ' A' ' 105' ' ' ILE . 0.9 OUTLIER -105.38 134.0 48.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.479 1.112 . . . . 0.0 109.261 -179.928 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 97.5 t -124.47 130.39 73.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.411 1.069 . . . . 0.0 109.275 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 28.6 mttt -117.17 119.4 35.11 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.535 1.147 . . . . 0.0 109.227 -179.945 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . 126.33 -171.77 18.07 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.484 1.115 . . . . 0.0 110.972 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 3.6 m -103.1 135.92 43.87 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.562 0.801 . . . . 0.0 110.045 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 128' ' ' ILE . . . . . . . . . . . . . 18.5 pt -114.96 162.83 12.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.463 1.102 . . . . 0.0 109.331 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 129' ' ' ASN . . . . . . . . . . . . . 3.0 p30 -108.16 168.62 9.17 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.57 1.168 . . . . 0.0 109.33 179.938 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 27.0 tt0 -49.82 -41.64 45.35 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.545 1.153 . . . . 0.0 110.254 -179.919 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -55.43 -53.46 56.04 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.528 1.143 . . . . 0.0 109.278 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -50.91 -45.5 60.31 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.449 1.093 . . . . 0.0 110.354 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -51.38 -45.71 62.53 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.567 1.167 . . . . 0.0 109.332 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 134' ' ' LEU . . . . . 0.402 ' CD2' ' HB3' ' A' ' 54' ' ' LYS . 25.5 mt -68.73 -52.68 28.03 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.447 1.092 . . . . 0.0 109.236 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -52.86 -23.54 7.25 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.539 1.149 . . . . 0.0 109.214 -179.914 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -76.4 -48.56 19.37 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.531 1.145 . . . . 0.0 109.278 -179.953 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 137' ' ' ILE . . . . . . . . . . . . . 5.8 mt -70.29 -23.4 24.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.417 1.073 . . . . 0.0 109.258 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -81.5 -47.51 13.04 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.491 1.119 . . . . 0.0 110.338 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 12.7 t0 -154.86 123.76 3.06 Favored Pre-proline 0 C--N 1.324 -0.526 0 O-C-N 124.58 1.175 . . . . 0.0 109.349 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 -13.7 21.4 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.517 1.798 . . . . 0.0 110.969 -179.941 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 141' ' ' ASN . . . . . . . . . . . . . 67.3 m-80 -78.69 -27.31 45.05 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.443 1.09 . . . . 0.0 109.337 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -56.19 107.71 0.39 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.459 1.1 . . . . 0.0 109.235 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 143' ' ' ASP . . . . . 0.452 ' O ' ' C ' ' A' ' 144' ' ' LEU . 2.0 t70 -108.9 155.27 21.02 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.52 1.137 . . . . 0.0 109.3 179.934 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 144' ' ' LEU . . . . . 0.452 ' C ' ' O ' ' A' ' 143' ' ' ASP . 4.0 pp . . . . . 0 C--N 1.324 -0.507 0 O-C-N 124.485 1.115 . . . . 0.0 109.275 179.996 . . . . . . . . 1 1 . 1 stop_ save_