data_1x2p_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 1x2p _Structure_validation_residue.Date_analyzed 2016-10-07 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . 0.467 ' HA3' ' CD1' ' A' ' 33' ' ' LEU . . . . . . . . 0 CA--C 1.53 0.982 0 N-CA-C 110.998 -0.841 . . . . 0.0 110.998 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -117.59 116.93 28.07 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.477 0.751 . . . . 0.0 110.354 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -83.54 124.14 30.45 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.492 1.12 . . . . 0.0 110.283 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 8.9 m-85 -133.9 167.86 19.82 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.446 1.091 . . . . 0.0 110.984 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 2.5 t -123.51 138.13 54.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.465 1.103 . . . . 0.0 109.317 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . 0.478 ' HB2' ' CD1' ' A' ' 26' ' ' PHE . . . -72.44 118.89 15.9 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.452 1.095 . . . . 0.0 109.346 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 3.5 pt -70.92 -7.31 8.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.489 1.118 . . . . 0.0 109.275 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -173.69 141.22 0.83 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.491 1.119 . . . . 0.0 109.279 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 8.9 p-10 -57.34 135.22 56.5 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.444 1.09 . . . . 0.0 109.287 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . 0.444 ' OH ' ' NE2' ' A' ' 23' ' ' GLN . 44.9 t80 -125.65 161.03 28.17 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.494 1.121 . . . . 0.0 110.954 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -134.44 111.99 10.58 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.463 1.102 . . . . 0.0 109.283 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . 0.405 ' CB ' ' HB2' ' A' ' 23' ' ' GLN . . . -52.95 127.01 22.29 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.519 1.137 . . . . 0.0 109.309 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -86.58 -22.1 26.46 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.466 1.104 . . . . 0.0 110.419 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -119.54 175.58 5.78 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.486 1.116 . . . . 0.0 109.311 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -90.76 18.01 7.0 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.476 1.11 . . . . 0.0 110.268 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 73.2 p -125.01 14.34 8.47 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.474 1.109 . . . . 0.0 110.399 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . 0.444 ' NE2' ' OH ' ' A' ' 16' ' ' TYR . 75.1 mt-30 -119.29 160.48 22.14 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.446 1.091 . . . . 0.0 110.352 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.407 HD11 ' N ' ' A' ' 47' ' ' ARG . 30.8 mt -106.98 139.42 41.41 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.517 1.136 . . . . 0.0 109.321 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' SER . . . . . 0.404 ' O ' ' NH1' ' A' ' 47' ' ' ARG . 5.3 m -110.27 129.56 55.71 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.492 1.12 . . . . 0.0 109.995 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . 0.523 ' CD2' HD11 ' A' ' 32' ' ' ILE . 3.1 p90 -141.0 175.57 9.51 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.524 1.14 . . . . 0.0 111.018 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -117.66 143.1 46.49 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.507 1.13 . . . . 0.0 109.346 179.938 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 8.1 ttt180 -41.15 122.32 1.78 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.475 1.11 . . . . 0.0 110.312 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 105.79 -31.5 8.36 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.45 1.094 . . . . 0.0 110.989 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 7.7 mt-10 -47.52 133.32 13.16 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.506 0.768 . . . . 0.0 110.307 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 14.7 mmtp -77.16 99.11 5.29 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.492 1.12 . . . . 0.0 109.287 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . 0.523 HD11 ' CD2' ' A' ' 26' ' ' PHE . 5.1 mm -92.42 133.84 32.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.483 1.114 . . . . 0.0 109.329 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.467 ' CD1' ' HA3' ' A' ' 7' ' ' GLY . 0.1 OUTLIER -95.68 117.9 31.36 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.459 1.099 . . . . 0.0 109.331 179.984 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.547 ' CD1' ' CD1' ' A' ' 54' ' ' ILE . 37.0 mm -92.19 77.58 1.26 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.499 1.124 . . . . 0.0 109.347 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.468 ' CD2' ' HB2' ' A' ' 46' ' ' GLU . 7.8 mp -46.02 -67.54 0.27 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.471 1.107 . . . . 0.0 109.333 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -129.52 156.37 44.27 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.529 1.143 . . . . 0.0 110.313 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . 0.42 ' O ' ' N ' ' A' ' 39' ' ' THR . 68.5 mt-30 -95.19 -52.91 3.99 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.439 1.087 . . . . 0.0 110.309 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 53.5 m 67.53 -67.67 0.17 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.443 1.089 . . . . 0.0 110.404 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' THR . . . . . 0.42 ' N ' ' O ' ' A' ' 37' ' ' GLN . 1.1 p -120.23 162.38 19.48 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.531 1.144 . . . . 0.0 110.401 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -88.45 7.39 33.03 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.424 1.078 . . . . 0.0 109.331 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -121.95 -42.28 2.4 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.492 1.12 . . . . 0.0 109.312 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 78.0 m95 -115.95 127.95 55.37 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.542 1.151 . . . . 0.0 107.999 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 45.3 m0 -113.71 157.6 21.99 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.534 1.146 . . . . 0.0 107.993 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' TRP . . . . . 0.485 ' CE3' ' CE2' ' A' ' 53' ' ' TYR . 41.5 t-105 -104.79 108.75 20.4 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.52 1.138 . . . . 0.0 108.021 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -105.02 174.72 21.68 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.512 1.133 . . . . 0.0 110.979 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . 0.468 ' HB2' ' CD2' ' A' ' 35' ' ' LEU . 30.6 tt0 -142.6 120.56 12.05 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.488 0.757 . . . . 0.0 110.266 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . 0.407 ' N ' HD11 ' A' ' 24' ' ' LEU . 5.8 mmm-85 -91.62 -173.06 3.43 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.479 1.112 . . . . 0.0 110.282 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -63.7 103.4 0.55 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 0.0 109.337 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 62.49 9.37 24.27 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.498 1.124 . . . . 0.0 111.002 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 1.2 m -114.45 162.97 15.98 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 108.296 -1.001 . . . . 0.0 108.296 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 11.8 p -148.55 112.87 5.27 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.522 1.139 . . . . 0.0 108.291 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -148.08 -178.7 23.47 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.477 1.11 . . . . 0.0 110.972 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' TYR . . . . . 0.485 ' CE2' ' CE3' ' A' ' 44' ' ' TRP . 4.2 m-85 -98.15 149.22 22.76 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.502 0.766 . . . . 0.0 111.012 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . 0.547 ' CD1' ' CD1' ' A' ' 34' ' ' ILE . 4.7 pt -131.6 150.05 75.22 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.529 1.143 . . . . 0.0 109.27 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.09 169.21 23.08 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.475 1.776 . . . . 0.0 111.012 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -113.33 85.63 2.23 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.535 1.147 . . . . 0.0 109.257 -179.925 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER 172.57 -39.23 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.503 1.127 . . . . 0.0 109.321 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 7.0 m80 -69.86 -25.58 63.79 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.543 1.152 . . . . 0.0 109.6 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 15.8 m . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.458 1.099 . . . . 0.0 109.286 179.992 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . 0.47 ' HA3' ' CD1' ' A' ' 33' ' ' LEU . . . . . . . . 0 CA--C 1.53 1.015 0 N-CA-C 110.983 -0.847 . . . . 0.0 110.983 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -114.52 111.94 22.17 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.52 0.776 . . . . 0.0 110.299 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . 0.413 ' HG2' ' CD2' ' A' ' 33' ' ' LEU . 0.0 OUTLIER -76.75 128.09 33.99 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.472 1.107 . . . . 0.0 110.328 -179.998 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 7.0 m-85 -137.64 164.18 29.43 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.529 1.143 . . . . 0.0 110.938 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 2.2 t -123.08 139.97 48.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.487 1.117 . . . . 0.0 109.291 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -71.68 118.37 14.44 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.448 1.093 . . . . 0.0 109.31 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 2.9 pt -67.25 -19.96 26.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.482 1.114 . . . . 0.0 109.231 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -162.12 146.02 12.16 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.479 1.112 . . . . 0.0 109.328 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 2.5 p-10 -55.88 140.54 42.31 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.51 1.131 . . . . 0.0 109.283 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 33.9 t80 -132.13 159.67 38.26 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.537 1.148 . . . . 0.0 110.979 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -136.77 115.34 11.96 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.505 1.128 . . . . 0.0 109.296 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -52.94 130.52 33.78 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.52 1.138 . . . . 0.0 109.311 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -93.17 -17.89 23.2 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.511 1.132 . . . . 0.0 110.376 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 90.2 m-20 -127.85 174.95 8.71 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.492 1.12 . . . . 0.0 109.33 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 30.9 tt0 -85.75 12.0 9.88 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.434 1.084 . . . . 0.0 110.252 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 68.3 p -124.17 46.44 2.27 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.525 1.141 . . . . 0.0 110.397 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 51.7 mt-30 -155.56 157.44 36.84 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.44 1.087 . . . . 0.0 110.301 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 81.6 mt -103.9 146.11 29.14 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.546 1.154 . . . . 0.0 109.323 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 12.5 p -114.52 131.37 56.67 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 0.0 109.966 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . 0.528 ' CD2' HD11 ' A' ' 32' ' ' ILE . 2.2 p90 -141.29 -179.0 5.87 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.479 1.112 . . . . 0.0 111.021 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -126.64 144.94 50.75 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.482 1.114 . . . . 0.0 109.306 179.949 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 8.6 ttt180 -39.39 123.57 1.46 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.481 1.113 . . . . 0.0 110.263 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 104.31 -32.66 7.29 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.487 1.117 . . . . 0.0 111.035 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 4.9 mt-10 -46.17 131.55 10.16 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.509 0.77 . . . . 0.0 110.304 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 11.4 mmtp -76.78 102.96 6.48 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.501 1.126 . . . . 0.0 109.308 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . 0.528 HD11 ' CD2' ' A' ' 26' ' ' PHE . 5.0 mm -97.9 137.46 25.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.472 1.107 . . . . 0.0 109.357 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.47 ' CD1' ' HA3' ' A' ' 7' ' ' GLY . 0.2 OUTLIER -99.89 133.64 43.96 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.457 1.098 . . . . 0.0 109.232 -179.934 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.551 ' CD1' ' CD1' ' A' ' 54' ' ' ILE . 14.3 mm -106.28 79.75 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.487 1.117 . . . . 0.0 109.314 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.461 ' CD2' ' HB2' ' A' ' 46' ' ' GLU . 5.8 mp -48.13 -67.13 0.3 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.466 1.104 . . . . 0.0 109.274 -179.946 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -135.47 172.22 13.33 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.493 1.12 . . . . 0.0 110.274 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . 0.438 ' O ' ' N ' ' A' ' 39' ' ' THR . 73.4 mt-30 -99.76 -38.18 8.79 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.531 1.144 . . . . 0.0 110.296 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 2.7 m 68.97 -62.17 0.4 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.508 1.13 . . . . 0.0 110.403 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' THR . . . . . 0.438 ' N ' ' O ' ' A' ' 37' ' ' GLN . 1.3 p -122.58 -93.19 0.52 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.514 1.134 . . . . 0.0 110.361 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . 0.436 ' O ' ' NE1' ' A' ' 43' ' ' TRP . . . -169.99 -55.57 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.482 1.113 . . . . 0.0 109.315 -179.939 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -73.75 -34.54 64.78 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.531 1.144 . . . . 0.0 109.31 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 93.6 m95 -108.65 127.01 53.59 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.551 1.157 . . . . 0.0 107.996 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' TRP . . . . . 0.436 ' NE1' ' O ' ' A' ' 40' ' ' ALA . 45.3 m0 -114.82 152.66 31.8 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 107.97 -1.122 . . . . 0.0 107.97 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' TRP . . . . . 0.517 ' CE3' ' CE2' ' A' ' 53' ' ' TYR . 64.6 t-105 -100.23 104.91 16.44 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.504 1.128 . . . . 0.0 107.988 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -100.75 -172.67 29.2 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.526 1.141 . . . . 0.0 110.987 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . 0.461 ' HB2' ' CD2' ' A' ' 35' ' ' LEU . 19.1 tt0 -153.81 120.56 5.6 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.516 0.774 . . . . 0.0 110.312 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 2.5 mmm180 -92.24 -175.93 4.2 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.461 1.1 . . . . 0.0 110.307 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -59.42 103.59 0.2 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.481 1.113 . . . . 0.0 109.262 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 62.91 8.31 21.47 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.494 1.122 . . . . 0.0 110.947 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -114.79 161.53 18.07 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 108.259 -1.015 . . . . 0.0 108.259 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 11.5 m -148.74 112.81 5.19 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.526 1.141 . . . . 0.0 108.259 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -148.33 -176.92 22.2 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.483 1.115 . . . . 0.0 111.017 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' TYR . . . . . 0.517 ' CE2' ' CE3' ' A' ' 44' ' ' TRP . 2.4 m-85 -95.19 150.97 19.63 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.573 0.808 . . . . 0.0 110.944 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . 0.551 ' CD1' ' CD1' ' A' ' 34' ' ' ILE . 3.8 pt -133.34 151.94 78.45 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.496 1.122 . . . . 0.0 109.307 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 170.63 19.98 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.514 1.797 . . . . 0.0 110.971 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -114.56 86.69 2.48 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.513 1.133 . . . . 0.0 109.291 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER 164.72 -41.18 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.438 1.086 . . . . 0.0 109.316 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 24.0 m-70 -65.02 -27.57 68.9 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.471 1.107 . . . . 0.0 109.629 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 16.1 m . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.512 1.132 . . . . 0.0 109.297 179.997 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . 0.462 ' HA3' ' CD1' ' A' ' 33' ' ' LEU . . . . . . . . 0 CA--C 1.53 0.994 0 N-CA-C 110.996 -0.842 . . . . 0.0 110.996 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -120.25 122.23 40.44 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.486 0.757 . . . . 0.0 110.282 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -83.35 122.6 28.69 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.534 1.146 . . . . 0.0 110.275 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 9.5 m-85 -131.93 167.5 19.51 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.507 1.129 . . . . 0.0 111.021 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 2.4 t -124.35 138.27 54.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.525 1.141 . . . . 0.0 109.302 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -72.53 118.82 15.92 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.438 1.086 . . . . 0.0 109.335 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 2.7 pt -70.19 -14.91 18.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.442 1.089 . . . . 0.0 109.304 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -165.29 139.37 4.8 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.488 1.118 . . . . 0.0 109.319 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 3.2 p-10 -55.4 140.71 39.0 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.488 1.118 . . . . 0.0 109.314 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 22.6 t80 -132.41 157.62 44.07 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.471 1.107 . . . . 0.0 111.013 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -132.15 114.03 14.01 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.542 1.151 . . . . 0.0 109.285 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -53.03 119.77 5.08 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.557 1.161 . . . . 0.0 109.33 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 43.6 p -80.7 -15.71 55.81 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.491 1.119 . . . . 0.0 110.393 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -128.58 178.68 6.14 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.522 1.139 . . . . 0.0 109.288 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 19.8 pt-20 -94.22 17.39 12.79 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.547 1.154 . . . . 0.0 110.314 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 60.5 p -125.08 27.1 6.78 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.124 . . . . 0.0 110.368 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 85.7 mt-30 -134.46 169.2 17.61 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.522 1.139 . . . . 0.0 110.275 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 25.0 mt -112.87 139.33 48.6 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.487 1.117 . . . . 0.0 109.329 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 13.5 m -110.28 130.33 55.57 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.469 1.105 . . . . 0.0 109.995 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . 0.469 ' CB ' HD11 ' A' ' 32' ' ' ILE . 3.3 p90 -141.13 173.65 11.28 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.522 1.139 . . . . 0.0 111.017 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -117.51 142.13 47.53 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.532 1.145 . . . . 0.0 109.273 -179.95 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 6.4 ttt-85 -38.88 123.15 1.25 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.505 1.128 . . . . 0.0 110.285 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 103.72 -33.4 6.61 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.525 1.141 . . . . 0.0 111.0 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 5.3 mt-10 -43.88 132.48 5.24 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.445 0.732 . . . . 0.0 110.336 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 4.4 mptt -77.02 99.94 5.47 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.539 1.149 . . . . 0.0 109.289 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . 0.469 HD11 ' CB ' ' A' ' 26' ' ' PHE . 5.7 mm -94.03 134.76 30.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.492 1.12 . . . . 0.0 109.345 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.462 ' CD1' ' HA3' ' A' ' 7' ' ' GLY . 0.1 OUTLIER -97.41 117.92 32.72 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.522 1.139 . . . . 0.0 109.277 -179.971 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.523 ' CD1' ' CD1' ' A' ' 54' ' ' ILE . 22.7 mm -91.9 78.49 1.39 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.454 1.096 . . . . 0.0 109.277 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.457 ' CD1' ' HB3' ' A' ' 46' ' ' GLU . 6.9 mp -45.71 -68.32 0.21 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.503 1.127 . . . . 0.0 109.31 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 5.0 mtt180 -130.04 158.77 38.69 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.47 1.106 . . . . 0.0 110.329 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . 0.44 ' O ' ' N ' ' A' ' 39' ' ' THR . 4.2 mt-30 -92.6 -50.47 5.58 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.518 1.136 . . . . 0.0 110.268 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 28.6 m 67.78 -66.72 0.2 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.517 1.135 . . . . 0.0 110.364 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' THR . . . . . 0.44 ' N ' ' O ' ' A' ' 37' ' ' GLN . 2.2 p -127.24 162.73 25.51 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.454 1.096 . . . . 0.0 110.385 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -88.32 10.44 19.77 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.496 1.123 . . . . 0.0 109.309 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -121.53 -42.07 2.46 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.531 1.145 . . . . 0.0 109.325 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 87.0 m95 -121.25 132.55 54.88 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.514 1.134 . . . . 0.0 107.98 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' TRP . . . . . 0.474 ' CD1' ' HB1' ' A' ' 56' ' ' ALA . 45.6 m0 -113.95 160.55 18.7 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 107.977 -1.12 . . . . 0.0 107.977 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 41.9 t-105 -107.7 109.21 20.75 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.509 1.13 . . . . 0.0 108.037 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -107.54 169.71 14.9 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.472 1.108 . . . . 0.0 111.03 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . 0.457 ' HB3' ' CD1' ' A' ' 35' ' ' LEU . 27.3 tt0 -135.85 120.65 18.49 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.475 0.75 . . . . 0.0 110.322 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 7.3 mmm180 -90.99 -172.92 3.5 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.529 1.143 . . . . 0.0 110.292 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -63.39 103.52 0.52 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.479 1.112 . . . . 0.0 109.316 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 62.41 9.16 22.71 Favored Glycine 0 CA--C 1.529 0.949 0 O-C-N 124.502 1.126 . . . . 0.0 111.042 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -114.54 163.03 15.95 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 108.281 -1.007 . . . . 0.0 108.281 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 15.8 p -148.51 111.6 4.89 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.507 1.129 . . . . 0.0 108.255 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -148.57 -176.97 22.43 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.467 1.104 . . . . 0.0 111.038 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 5.2 m-85 -95.11 162.83 13.55 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.503 0.767 . . . . 0.0 110.984 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . 0.523 ' CD1' ' CD1' ' A' ' 34' ' ' ILE . 4.4 pt -146.76 150.34 39.24 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.522 1.139 . . . . 0.0 109.32 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 155.69 42.83 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.523 1.802 . . . . 0.0 110.979 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . 0.474 ' HB1' ' CD1' ' A' ' 43' ' ' TRP . . . -100.77 80.14 2.14 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.499 1.124 . . . . 0.0 109.272 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 50.6 t-20 177.38 -41.53 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.57 1.169 . . . . 0.0 109.289 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 4.7 m-70 -65.43 -27.38 68.48 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.554 1.159 . . . . 0.0 109.604 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 17.9 m . . . . . 0 C--N 1.325 -0.495 0 O-C-N 124.472 1.108 . . . . 0.0 109.3 179.989 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . 0.474 ' HA3' ' CD1' ' A' ' 33' ' ' LEU . . . . . . . . 0 CA--C 1.53 1.001 0 N-CA-C 111.007 -0.837 . . . . 0.0 111.007 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -111.6 106.71 15.63 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.504 0.767 . . . . 0.0 110.264 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -74.51 130.47 39.66 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.489 1.118 . . . . 0.0 110.322 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 7.3 m-85 -138.85 166.47 24.36 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.456 1.098 . . . . 0.0 111.012 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 2.2 t -124.07 140.64 46.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.493 1.121 . . . . 0.0 109.323 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -71.8 118.09 14.21 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.478 1.111 . . . . 0.0 109.317 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 2.3 pt -68.45 -13.72 17.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.482 1.114 . . . . 0.0 109.303 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -164.38 155.99 15.94 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.538 1.149 . . . . 0.0 109.332 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 1.6 p-10 -58.37 148.76 26.71 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.521 1.138 . . . . 0.0 109.333 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . 0.441 ' OH ' ' NE2' ' A' ' 23' ' ' GLN . 48.8 t80 -133.9 158.35 43.67 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.53 1.144 . . . . 0.0 110.994 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -144.09 104.09 4.09 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.48 1.113 . . . . 0.0 109.356 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -53.88 131.98 40.98 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.535 1.147 . . . . 0.0 109.32 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -95.58 -8.31 35.37 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.455 1.097 . . . . 0.0 110.403 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 17.2 m-20 -133.72 173.06 11.93 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.514 1.134 . . . . 0.0 109.295 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 7.2 pt-20 -93.24 17.92 10.36 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.468 1.105 . . . . 0.0 110.327 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 80.5 p -121.43 13.72 11.05 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.516 1.135 . . . . 0.0 110.4 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . 0.441 ' NE2' ' OH ' ' A' ' 16' ' ' TYR . 65.9 mt-30 -121.7 173.42 7.46 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.5 1.125 . . . . 0.0 110.264 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 17.2 mt -114.13 140.54 48.43 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.454 1.096 . . . . 0.0 109.272 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 16.3 p -109.83 130.69 55.49 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.488 1.117 . . . . 0.0 110.001 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . 0.464 ' CB ' HD13 ' A' ' 32' ' ' ILE . 2.6 p90 -142.92 178.5 7.63 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.504 1.127 . . . . 0.0 110.97 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -125.67 145.79 50.01 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.555 1.159 . . . . 0.0 109.295 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 12.0 ttt-85 -43.91 112.15 0.37 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.466 1.104 . . . . 0.0 110.319 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 117.97 -32.75 5.18 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.507 1.129 . . . . 0.0 111.005 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -49.46 136.19 16.74 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.497 0.763 . . . . 0.0 110.312 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -79.74 102.44 9.02 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.511 1.132 . . . . 0.0 109.328 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . 0.464 HD13 ' CB ' ' A' ' 26' ' ' PHE . 4.5 mm -95.74 124.74 48.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.497 1.123 . . . . 0.0 109.3 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.474 ' CD1' ' HA3' ' A' ' 7' ' ' GLY . 0.1 OUTLIER -87.99 117.86 27.14 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.489 1.118 . . . . 0.0 109.287 -179.974 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.51 ' CD1' ' CD1' ' A' ' 54' ' ' ILE . 19.1 mm -92.51 78.91 1.37 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.5 1.125 . . . . 0.0 109.292 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.466 ' CD2' ' HB2' ' A' ' 46' ' ' GLU . 7.3 mp -46.39 -67.79 0.25 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.558 1.161 . . . . 0.0 109.249 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 2.1 mtt-85 -135.41 173.0 12.2 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.508 1.13 . . . . 0.0 110.307 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . 0.508 ' HG2' ' CG ' ' A' ' 43' ' ' TRP . 7.7 mt-30 -133.87 73.02 1.48 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.451 1.094 . . . . 0.0 110.307 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 81.9 m -38.33 -32.9 0.08 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.511 1.132 . . . . 0.0 110.409 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' THR . . . . . 0.402 ' N ' ' O ' ' A' ' 37' ' ' GLN . 2.2 p -147.12 178.68 8.19 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.513 1.133 . . . . 0.0 110.395 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -91.43 6.82 43.97 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.487 1.117 . . . . 0.0 109.281 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -121.16 -41.99 2.5 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.541 1.151 . . . . 0.0 109.3 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 82.1 m95 -113.12 126.15 55.14 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.476 1.11 . . . . 0.0 108.006 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' TRP . . . . . 0.508 ' CG ' ' HG2' ' A' ' 37' ' ' GLN . 47.5 m0 -113.75 153.52 28.88 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.546 1.154 . . . . 0.0 107.994 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 44.3 t-105 -101.86 105.03 15.8 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 107.988 -1.116 . . . . 0.0 107.988 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -100.62 175.56 26.76 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.518 1.137 . . . . 0.0 111.022 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . 0.466 ' HB2' ' CD2' ' A' ' 35' ' ' LEU . 22.6 tt0 -144.64 120.64 10.7 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.543 0.79 . . . . 0.0 110.29 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 1.3 mmm180 -90.97 -172.88 3.49 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.522 1.139 . . . . 0.0 110.356 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -63.44 103.82 0.56 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.468 1.105 . . . . 0.0 109.284 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 62.59 9.52 25.77 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.55 1.156 . . . . 0.0 111.038 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 1.3 m -114.26 163.35 15.38 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 108.29 -1.004 . . . . 0.0 108.29 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 15.8 p -148.5 112.57 5.19 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.487 1.117 . . . . 0.0 108.323 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -148.32 -177.08 22.32 Favored Glycine 0 CA--C 1.529 0.936 0 O-C-N 124.502 1.126 . . . . 0.0 111.014 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 2.3 m-85 -98.93 159.23 15.1 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.445 0.732 . . . . 0.0 111.022 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . 0.51 ' CD1' ' CD1' ' A' ' 34' ' ' ILE . 4.5 pt -143.74 150.71 51.23 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.529 1.143 . . . . 0.0 109.297 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 172.65 15.95 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.499 1.789 . . . . 0.0 111.022 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -117.91 87.93 2.81 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.572 1.17 . . . . 0.0 109.31 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 2.3 t30 169.6 -36.05 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.479 1.112 . . . . 0.0 109.285 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 2.9 m-70 -73.49 -24.41 60.18 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.477 1.11 . . . . 0.0 109.631 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 9.4 m . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.549 1.155 . . . . 0.0 109.334 179.963 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . 0.472 ' HA3' ' CD1' ' A' ' 33' ' ' LEU . . . . . . . . 0 CA--C 1.53 1.02 0 N-CA-C 110.949 -0.86 . . . . 0.0 110.949 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -122.39 123.69 41.93 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.506 0.768 . . . . 0.0 110.261 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -84.23 98.02 9.73 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.523 1.139 . . . . 0.0 110.297 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 9.7 m-85 -99.02 158.24 15.79 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.478 1.111 . . . . 0.0 110.988 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 2.3 t -115.11 135.83 53.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.519 1.137 . . . . 0.0 109.275 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -71.63 118.43 14.45 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.481 1.113 . . . . 0.0 109.263 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 3.1 pt -70.97 -15.15 18.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.509 1.131 . . . . 0.0 109.309 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -159.51 156.39 28.11 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.436 1.085 . . . . 0.0 109.323 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 2.8 p30 -71.83 141.76 49.63 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.515 1.134 . . . . 0.0 109.278 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 74.7 t80 -128.71 172.13 11.54 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.501 1.126 . . . . 0.0 110.948 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -140.43 144.15 35.98 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.5 1.125 . . . . 0.0 109.29 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -89.78 112.41 23.7 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.535 1.147 . . . . 0.0 109.334 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 14.9 p -112.64 5.95 18.04 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.512 1.132 . . . . 0.0 110.371 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -125.0 178.77 5.34 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.504 1.127 . . . . 0.0 109.287 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 10.7 tt0 -88.82 -17.11 30.4 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.536 1.147 . . . . 0.0 110.249 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 40.4 p -123.08 58.55 1.1 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.526 1.141 . . . . 0.0 110.407 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 82.5 mt-30 -144.62 156.01 43.91 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.537 1.148 . . . . 0.0 110.311 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 28.0 mt -117.62 143.72 45.87 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.559 1.162 . . . . 0.0 109.254 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 13.1 p -112.59 132.03 55.33 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.463 1.102 . . . . 0.0 109.971 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . 0.466 ' CB ' HD11 ' A' ' 32' ' ' ILE . 3.5 p90 -144.16 176.8 9.05 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.504 1.128 . . . . 0.0 111.015 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -119.51 144.78 46.83 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.554 1.159 . . . . 0.0 109.308 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 5.7 ttt180 -43.23 110.83 0.21 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.519 1.137 . . . . 0.0 110.281 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 119.66 -36.81 3.34 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.529 1.143 . . . . 0.0 110.993 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -42.24 132.33 3.4 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.556 0.798 . . . . 0.0 110.294 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 12.5 mmtp -77.1 100.85 5.86 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.493 1.121 . . . . 0.0 109.289 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . 0.466 HD11 ' CB ' ' A' ' 26' ' ' PHE . 4.7 mm -94.18 133.93 33.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.481 1.113 . . . . 0.0 109.292 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.472 ' CD1' ' HA3' ' A' ' 7' ' ' GLY . 0.1 OUTLIER -96.45 125.27 40.83 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.484 1.115 . . . . 0.0 109.279 179.989 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.539 ' CD1' ' CD1' ' A' ' 54' ' ' ILE . 42.0 mm -101.94 92.53 2.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.501 1.126 . . . . 0.0 109.329 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.467 HD22 ' CB ' ' A' ' 46' ' ' GLU . 0.3 OUTLIER -65.3 -65.13 0.71 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.513 1.133 . . . . 0.0 109.282 -179.94 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 49.9 mtt85 -129.24 174.74 9.31 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.485 1.115 . . . . 0.0 110.275 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . 0.5 ' HG2' ' CG ' ' A' ' 43' ' ' TRP . 58.3 mt-30 -142.94 74.73 1.45 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.457 1.098 . . . . 0.0 110.309 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' THR . . . . . 0.4 ' C ' ' O ' ' A' ' 37' ' ' GLN . 54.2 m -38.45 -43.71 0.86 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.447 1.092 . . . . 0.0 110.418 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 5.7 p -134.61 173.86 11.2 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.485 1.116 . . . . 0.0 110.366 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -86.48 8.22 22.77 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.518 1.136 . . . . 0.0 109.295 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -122.24 -42.31 2.37 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.529 1.143 . . . . 0.0 109.294 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 95.3 m95 -110.14 124.92 52.41 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.525 1.141 . . . . 0.0 108.017 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' TRP . . . . . 0.5 ' CG ' ' HG2' ' A' ' 37' ' ' GLN . 46.0 m0 -114.63 158.72 21.35 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.491 1.119 . . . . 0.0 108.021 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' TRP . . . . . 0.412 ' CE3' ' CD2' ' A' ' 53' ' ' TYR . 68.9 t-105 -108.25 119.85 40.69 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.552 1.158 . . . . 0.0 108.009 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -117.71 -173.92 16.48 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.462 1.102 . . . . 0.0 111.024 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . 0.467 ' CB ' HD22 ' A' ' 35' ' ' LEU . 28.4 tt0 -146.58 120.66 9.44 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.5 0.765 . . . . 0.0 110.254 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -91.68 -173.82 3.66 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.462 1.101 . . . . 0.0 110.281 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -61.77 103.32 0.33 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.474 1.109 . . . . 0.0 109.277 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 62.39 8.28 18.35 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.529 1.143 . . . . 0.0 111.0 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 1.3 m -115.06 163.44 15.61 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 108.283 -1.006 . . . . 0.0 108.283 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 12.7 p -148.59 111.77 4.92 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.513 1.133 . . . . 0.0 108.283 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -148.59 -177.07 22.53 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.502 1.126 . . . . 0.0 111.018 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' TYR . . . . . 0.412 ' CD2' ' CE3' ' A' ' 44' ' ' TRP . 2.9 m-85 -91.17 173.97 7.65 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.488 0.758 . . . . 0.0 110.983 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . 0.539 ' CD1' ' CD1' ' A' ' 34' ' ' ILE . 3.1 pt -157.27 152.47 21.68 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.454 1.096 . . . . 0.0 109.285 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 158.21 42.31 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.524 1.802 . . . . 0.0 110.993 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -106.27 83.63 1.91 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.454 1.096 . . . . 0.0 109.309 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 168.75 -44.43 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.5 1.125 . . . . 0.0 109.331 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 1.2 m80 -63.27 -16.96 61.89 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.525 1.141 . . . . 0.0 109.648 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 15.4 m . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.537 1.148 . . . . 0.0 109.282 179.963 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . 0.452 ' HA3' ' CD1' ' A' ' 33' ' ' LEU . . . . . . . . 0 CA--C 1.529 0.964 0 N-CA-C 111.021 -0.832 . . . . 0.0 111.021 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -105.98 122.29 45.83 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.492 0.76 . . . . 0.0 110.294 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -86.46 123.3 31.53 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.466 1.104 . . . . 0.0 110.255 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 10.3 m-85 -135.63 167.78 20.49 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.494 1.121 . . . . 0.0 111.044 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . 0.423 ' CG1' ' HA2' ' A' ' 29' ' ' GLY . 2.5 t -125.46 141.33 45.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.502 1.126 . . . . 0.0 109.29 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . 0.55 ' HB1' ' CD1' ' A' ' 26' ' ' PHE . . . -72.75 117.99 15.13 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.532 1.145 . . . . 0.0 109.337 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . 0.429 ' N ' ' O ' ' A' ' 58' ' ' HIS . 3.2 pt -66.59 -13.65 16.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.491 1.12 . . . . 0.0 109.331 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -166.09 153.14 9.75 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.124 . . . . 0.0 109.326 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 3.5 p-10 -64.99 144.76 57.08 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.468 1.105 . . . . 0.0 109.295 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . 0.485 ' CG ' ' N ' ' A' ' 17' ' ' ALA . 32.1 t80 -132.51 166.5 21.92 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.507 1.13 . . . . 0.0 111.001 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . 0.485 ' N ' ' CG ' ' A' ' 16' ' ' TYR . . . -139.37 111.85 7.68 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.471 1.107 . . . . 0.0 109.314 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . 0.473 ' HA ' ' CE2' ' A' ' 16' ' ' TYR . . . -54.89 123.83 14.72 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.517 1.136 . . . . 0.0 109.289 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -87.77 -8.75 55.56 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.515 1.134 . . . . 0.0 110.416 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -134.2 171.67 13.93 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.51 1.131 . . . . 0.0 109.33 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -90.43 18.03 6.65 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.498 1.124 . . . . 0.0 110.307 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 69.1 p -122.09 -1.25 9.31 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.546 1.153 . . . . 0.0 110.401 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . 0.405 ' NE2' ' OH ' ' A' ' 16' ' ' TYR . 60.4 mt-30 -105.9 162.1 13.87 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.461 1.101 . . . . 0.0 110.288 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 21.7 mt -104.04 146.85 28.12 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.494 1.122 . . . . 0.0 109.315 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 14.6 p -119.25 129.55 54.98 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.533 1.145 . . . . 0.0 109.965 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . 0.55 ' CD1' ' HB1' ' A' ' 12' ' ' ALA . 5.7 p90 -140.89 -179.24 5.95 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.511 1.132 . . . . 0.0 111.001 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -124.44 142.83 51.01 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.549 1.156 . . . . 0.0 109.333 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 1.5 ttt-85 -40.15 126.62 2.16 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.551 1.157 . . . . 0.0 110.339 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . 0.423 ' HA2' ' CG1' ' A' ' 11' ' ' VAL . . . 101.4 -24.99 29.75 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.498 1.124 . . . . 0.0 110.991 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 4.4 mt-10 -53.83 132.53 41.76 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.49 0.759 . . . . 0.0 110.305 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -77.24 97.82 4.94 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.49 1.119 . . . . 0.0 109.336 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . 0.467 HD13 ' CB ' ' A' ' 26' ' ' PHE . 4.4 mm -92.34 138.42 19.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.482 1.114 . . . . 0.0 109.287 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.452 ' CD1' ' HA3' ' A' ' 7' ' ' GLY . 0.1 OUTLIER -100.93 117.96 36.02 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.448 1.093 . . . . 0.0 109.258 -179.954 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.57 ' CD1' ' CD1' ' A' ' 54' ' ' ILE . 31.0 mm -92.32 78.86 1.39 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.517 1.136 . . . . 0.0 109.309 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.451 ' CD1' ' HB3' ' A' ' 46' ' ' GLU . 7.8 mp -45.39 -67.83 0.25 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.456 1.098 . . . . 0.0 109.267 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 42.5 mtt180 -134.41 172.32 13.06 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.538 1.149 . . . . 0.0 110.294 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . 0.402 ' O ' ' C ' ' A' ' 38' ' ' THR . 97.1 mt-30 -131.56 66.5 1.54 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.529 1.143 . . . . 0.0 110.29 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' THR . . . . . 0.402 ' C ' ' O ' ' A' ' 37' ' ' GLN . 1.8 m -38.28 -39.93 0.48 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.404 1.065 . . . . 0.0 110.432 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 69.8 p -135.89 177.98 7.4 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.499 1.125 . . . . 0.0 110.382 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -93.11 -3.59 53.82 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.547 1.154 . . . . 0.0 109.342 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 31.8 m-20 -114.28 -35.99 4.81 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.524 1.14 . . . . 0.0 109.287 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 83.6 m95 -113.11 125.82 54.78 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 107.999 -1.111 . . . . 0.0 107.999 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' TRP . . . . . 0.438 ' CE3' HG21 ' A' ' 34' ' ' ILE . 44.3 m0 -113.9 148.67 36.37 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.501 1.126 . . . . 0.0 108.023 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 47.8 t-105 -99.91 105.38 17.09 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.512 1.133 . . . . 0.0 108.018 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -102.11 176.01 25.41 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.447 1.092 . . . . 0.0 110.99 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . 0.451 ' HB3' ' CD1' ' A' ' 35' ' ' LEU . 28.3 tt0 -144.11 120.77 11.14 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.508 0.77 . . . . 0.0 110.287 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -90.91 -172.69 3.43 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.486 1.116 . . . . 0.0 110.312 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -63.74 103.44 0.56 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.539 1.149 . . . . 0.0 109.262 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 62.32 9.39 23.27 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.496 1.123 . . . . 0.0 110.991 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 1.3 m -114.59 163.17 15.78 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 108.304 -0.998 . . . . 0.0 108.304 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 8.2 p -148.5 112.86 5.28 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.473 1.108 . . . . 0.0 108.321 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -148.05 177.03 26.58 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.55 1.156 . . . . 0.0 110.967 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 2.7 m-85 -92.61 148.57 21.97 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.5 0.765 . . . . 0.0 110.97 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . 0.57 ' CD1' ' CD1' ' A' ' 34' ' ' ILE . 14.7 pt -131.48 152.29 80.22 Favored Pre-proline 0 C--N 1.324 -0.518 0 O-C-N 124.507 1.129 . . . . 0.0 109.289 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 168.44 24.83 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.455 1.766 . . . . 0.0 111.015 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -115.27 87.13 2.59 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.47 1.106 . . . . 0.0 109.298 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER 167.7 -35.84 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.455 1.097 . . . . 0.0 109.331 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' HIS . . . . . 0.429 ' O ' ' N ' ' A' ' 13' ' ' ILE . 12.3 m80 -72.77 -19.21 61.4 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.467 1.104 . . . . 0.0 109.596 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 16.3 m . . . . . 0 C--N 1.325 -0.46 0 O-C-N 124.491 1.119 . . . . 0.0 109.304 179.999 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . 0.476 ' HA3' ' CD1' ' A' ' 33' ' ' LEU . . . . . . . . 0 CA--C 1.53 1.003 0 N-CA-C 111.016 -0.834 . . . . 0.0 111.016 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . 0.468 ' CB ' ' HB ' ' A' ' 34' ' ' ILE . 0.0 OUTLIER -129.17 102.98 6.71 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.526 0.78 . . . . 0.0 110.262 -179.953 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -69.04 121.51 16.82 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.472 1.107 . . . . 0.0 110.305 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 8.0 m-85 -133.53 171.53 13.96 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.509 1.131 . . . . 0.0 110.989 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 2.1 t -126.71 137.65 57.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.44 1.087 . . . . 0.0 109.27 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -71.47 127.95 34.24 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.49 1.119 . . . . 0.0 109.259 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . 0.437 ' CG1' ' O ' ' A' ' 58' ' ' HIS . 3.2 pt -83.6 2.85 3.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.482 1.114 . . . . 0.0 109.308 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -170.99 161.88 7.05 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.441 1.088 . . . . 0.0 109.287 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . 0.422 ' OD1' ' N ' ' A' ' 15' ' ' ASP . 0.1 OUTLIER -84.59 110.45 18.73 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.485 1.116 . . . . 0.0 109.3 179.986 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . 0.422 ' HB3' ' CE1' ' A' ' 26' ' ' PHE . 8.1 t80 -106.15 146.39 30.28 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.469 1.106 . . . . 0.0 110.982 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . 0.409 ' N ' ' CD1' ' A' ' 16' ' ' TYR . . . -129.48 102.64 6.48 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.493 1.121 . . . . 0.0 109.286 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -53.38 145.55 14.12 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.515 1.134 . . . . 0.0 109.332 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -97.19 -38.28 9.77 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.496 1.123 . . . . 0.0 110.424 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -104.5 -175.57 2.83 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.496 1.123 . . . . 0.0 109.288 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 6.8 pt-20 -96.14 18.28 13.91 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.478 1.112 . . . . 0.0 110.289 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 28.4 p -108.29 -0.24 20.91 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.488 1.117 . . . . 0.0 110.361 -179.935 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 43.4 mt-30 -130.56 154.46 47.81 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.444 1.09 . . . . 0.0 110.284 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 85.9 mt -101.23 155.84 17.78 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.515 1.134 . . . . 0.0 109.289 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' SER . . . . . 0.403 ' O ' ' NH1' ' A' ' 47' ' ' ARG . 54.8 p -116.86 133.87 55.48 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.542 1.151 . . . . 0.0 110.043 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . 0.556 ' CD2' HD13 ' A' ' 32' ' ' ILE . 2.4 p90 -145.58 173.98 11.57 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.497 1.123 . . . . 0.0 111.004 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -117.34 145.89 43.74 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.491 1.12 . . . . 0.0 109.313 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 72.2 ttt180 -43.8 110.55 0.21 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.531 1.144 . . . . 0.0 110.305 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 120.05 -35.77 3.68 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.492 1.12 . . . . 0.0 110.989 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -44.01 131.61 5.72 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.505 0.768 . . . . 0.0 110.319 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 1.5 mptt -76.12 100.88 5.13 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.523 1.14 . . . . 0.0 109.299 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . 0.556 HD13 ' CD2' ' A' ' 26' ' ' PHE . 5.3 mm -94.33 126.48 46.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.506 1.129 . . . . 0.0 109.271 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.476 ' CD1' ' HA3' ' A' ' 7' ' ' GLY . 0.2 OUTLIER -88.18 117.81 27.33 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.467 1.105 . . . . 0.0 109.321 179.998 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.573 ' CD1' ' CD1' ' A' ' 54' ' ' ILE . 26.5 mm -92.35 82.01 1.73 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.491 1.119 . . . . 0.0 109.295 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.446 ' CD1' ' HB3' ' A' ' 46' ' ' GLU . 8.2 mp -48.05 -69.24 0.13 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.451 1.095 . . . . 0.0 109.294 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 3.9 ttt180 -135.92 172.24 13.3 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.499 1.124 . . . . 0.0 110.276 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . 0.52 ' HG2' ' CD2' ' A' ' 43' ' ' TRP . 12.0 mt-30 -128.91 71.5 1.42 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.51 1.131 . . . . 0.0 110.331 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' THR . . . . . 0.402 ' C ' ' O ' ' A' ' 37' ' ' GLN . 6.8 m -38.48 -33.01 0.09 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.483 1.115 . . . . 0.0 110.4 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 68.6 p -148.82 -176.36 5.3 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.492 1.12 . . . . 0.0 110.413 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -98.8 8.84 44.52 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.517 1.136 . . . . 0.0 109.283 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -119.32 -40.51 2.8 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.511 1.132 . . . . 0.0 109.277 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 81.3 m95 -120.77 129.25 53.52 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 108.009 -1.108 . . . . 0.0 108.009 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' TRP . . . . . 0.52 ' CD2' ' HG2' ' A' ' 37' ' ' GLN . 47.0 m0 -112.53 153.42 27.51 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 107.973 -1.121 . . . . 0.0 107.973 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' TRP . . . . . 0.475 ' CE3' ' CD2' ' A' ' 53' ' ' TYR . 68.2 t-105 -99.99 105.18 16.84 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.517 1.136 . . . . 0.0 108.02 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -102.29 171.03 21.01 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.459 1.1 . . . . 0.0 110.982 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . 0.446 ' HB3' ' CD1' ' A' ' 35' ' ' LEU . 20.3 tt0 -139.5 120.65 14.74 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.512 0.772 . . . . 0.0 110.264 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . 0.403 ' NH1' ' O ' ' A' ' 25' ' ' SER . 8.9 mmm-85 -91.16 -175.34 4.26 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.51 1.131 . . . . 0.0 110.296 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -60.84 103.84 0.3 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.481 1.113 . . . . 0.0 109.23 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 62.92 8.0 19.75 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.473 1.108 . . . . 0.0 111.009 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -114.8 162.34 17.0 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 108.335 -0.987 . . . . 0.0 108.335 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 7.6 m -148.77 112.86 5.19 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.515 1.134 . . . . 0.0 108.332 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -148.42 179.15 25.5 Favored Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.505 1.128 . . . . 0.0 111.022 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' TYR . . . . . 0.475 ' CD2' ' CE3' ' A' ' 44' ' ' TRP . 1.4 m-85 -93.83 154.1 17.92 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.469 0.747 . . . . 0.0 110.995 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . 0.573 ' CD1' ' CD1' ' A' ' 34' ' ' ILE . 3.7 pt -137.01 151.18 71.6 Favored Pre-proline 0 C--N 1.326 -0.438 0 O-C-N 124.473 1.108 . . . . 0.0 109.296 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 167.88 26.07 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.483 1.781 . . . . 0.0 111.007 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -112.52 85.62 2.2 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.13 . . . . 0.0 109.309 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 1.5 t-20 168.83 -35.45 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.492 1.12 . . . . 0.0 109.278 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' HIS . . . . . 0.437 ' O ' ' CG1' ' A' ' 13' ' ' ILE . 3.1 m170 -72.62 -28.12 62.57 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.471 1.107 . . . . 0.0 109.586 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 21.4 m . . . . . 0 C--N 1.324 -0.51 0 O-C-N 124.54 1.15 . . . . 0.0 109.321 179.952 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . 0.445 ' HA3' ' CD1' ' A' ' 33' ' ' LEU . . . . . . . . 0 CA--C 1.53 1.002 0 N-CA-C 111.04 -0.824 . . . . 0.0 111.04 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -125.56 113.53 17.55 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.529 0.781 . . . . 0.0 110.29 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -78.04 108.64 11.47 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.512 1.133 . . . . 0.0 110.315 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 6.5 m-85 -111.99 166.85 10.87 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.518 1.136 . . . . 0.0 110.973 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 2.1 t -123.98 137.11 58.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.491 1.119 . . . . 0.0 109.295 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . 0.432 ' HB2' ' CD1' ' A' ' 26' ' ' PHE . . . -71.8 118.01 14.11 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.49 1.119 . . . . 0.0 109.291 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 2.4 pt -72.95 -11.16 14.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.469 1.106 . . . . 0.0 109.333 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -169.37 137.98 1.94 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.52 1.138 . . . . 0.0 109.259 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 1.6 p30 -54.71 142.62 27.91 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.502 1.126 . . . . 0.0 109.282 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 51.4 t80 -131.43 155.1 47.92 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.494 1.121 . . . . 0.0 110.991 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -127.53 113.15 15.76 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.538 1.149 . . . . 0.0 109.318 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . 0.421 ' CB ' ' HB2' ' A' ' 23' ' ' GLN . . . -52.95 129.0 29.08 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.485 1.115 . . . . 0.0 109.275 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -85.51 -27.74 25.43 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.477 1.111 . . . . 0.0 110.414 179.939 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 21.0 m-20 -113.69 -176.03 2.81 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.5 1.125 . . . . 0.0 109.301 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -98.31 18.03 17.35 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.485 1.116 . . . . 0.0 110.328 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 39.5 p -127.46 16.6 7.06 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.461 1.101 . . . . 0.0 110.423 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . 0.421 ' HB2' ' CB ' ' A' ' 18' ' ' ALA . 96.3 mt-30 -115.53 163.99 14.95 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.47 1.106 . . . . 0.0 110.276 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 19.6 mt -110.09 140.14 44.47 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.524 1.14 . . . . 0.0 109.263 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 14.7 m -115.36 130.52 56.92 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.513 1.133 . . . . 0.0 109.969 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . 0.469 ' CB ' HD12 ' A' ' 32' ' ' ILE . 3.3 p90 -140.07 175.16 9.82 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.511 1.132 . . . . 0.0 111.007 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -115.49 143.84 44.73 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.447 1.092 . . . . 0.0 109.328 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 3.9 ttt-85 -42.18 113.7 0.47 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.512 1.133 . . . . 0.0 110.322 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 117.42 -36.71 3.59 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.512 1.132 . . . . 0.0 110.946 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -43.72 132.71 4.94 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.509 0.77 . . . . 0.0 110.304 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 1.8 mptt -77.7 103.77 7.83 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.482 1.114 . . . . 0.0 109.316 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . 0.469 HD12 ' CB ' ' A' ' 26' ' ' PHE . 4.9 mm -96.47 129.2 46.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.505 1.128 . . . . 0.0 109.326 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.445 ' CD1' ' HA3' ' A' ' 7' ' ' GLY . 0.1 OUTLIER -91.24 120.78 32.44 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.518 1.136 . . . . 0.0 109.316 -179.985 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.525 ' CD1' ' CD1' ' A' ' 54' ' ' ILE . 10.1 mm -98.07 100.88 11.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 0.0 109.331 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.454 HD21 ' CB ' ' A' ' 46' ' ' GLU . 2.8 mm? -69.02 -68.42 0.4 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.483 1.115 . . . . 0.0 109.326 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -124.59 170.59 10.78 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.497 1.123 . . . . 0.0 110.344 179.948 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . 0.45 ' O ' ' N ' ' A' ' 39' ' ' THR . 59.6 mt-30 -100.86 -23.09 14.64 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.465 1.103 . . . . 0.0 110.24 -179.946 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 92.1 m 65.02 -74.3 0.05 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.501 1.125 . . . . 0.0 110.401 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' THR . . . . . 0.491 ' O ' ' CB ' ' A' ' 40' ' ' ALA . 9.4 p -123.8 -65.33 1.08 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.515 1.134 . . . . 0.0 110.408 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . 0.491 ' CB ' ' O ' ' A' ' 39' ' ' THR . . . 163.85 -31.89 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.529 1.143 . . . . 0.0 109.305 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -93.6 -25.85 17.35 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.509 1.131 . . . . 0.0 109.297 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 90.5 m95 -122.43 123.77 42.09 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.499 1.124 . . . . 0.0 107.968 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 44.1 m0 -112.52 153.31 27.66 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.533 1.146 . . . . 0.0 107.986 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' TRP . . . . . 0.508 ' CE3' ' CD2' ' A' ' 53' ' ' TYR . 56.4 t-105 -104.0 108.34 19.64 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 107.985 -1.117 . . . . 0.0 107.985 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -107.59 -179.36 22.27 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.475 1.11 . . . . 0.0 111.014 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . 0.454 ' CB ' HD21 ' A' ' 35' ' ' LEU . 28.8 tt0 -142.94 120.68 11.88 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.5 0.765 . . . . 0.0 110.339 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -92.77 179.9 5.34 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.52 1.138 . . . . 0.0 110.299 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -56.49 103.46 0.11 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.488 1.118 . . . . 0.0 109.287 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 62.73 7.67 16.96 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.541 1.151 . . . . 0.0 111.009 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' CYS . . . . . 0.402 ' C ' ' SG ' ' A' ' 51' ' ' CYS . 1.2 m -115.15 158.63 21.96 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 108.321 -0.992 . . . . 0.0 108.321 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' CYS . . . . . 0.402 ' SG ' ' C ' ' A' ' 50' ' ' CYS . 7.4 m -148.73 111.4 4.78 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.551 1.157 . . . . 0.0 108.266 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -148.87 -176.8 22.52 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.436 1.085 . . . . 0.0 110.995 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' TYR . . . . . 0.508 ' CD2' ' CE3' ' A' ' 44' ' ' TRP . 1.5 m-85 -92.49 151.71 20.05 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.507 0.769 . . . . 0.0 111.005 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . 0.525 ' CD1' ' CD1' ' A' ' 34' ' ' ILE . 3.6 pt -135.11 148.57 67.18 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.509 1.13 . . . . 0.0 109.314 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 160.47 40.0 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.453 1.765 . . . . 0.0 111.001 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -108.28 83.16 1.74 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.566 1.166 . . . . 0.0 109.331 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 25.5 t-20 177.19 -40.35 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.537 1.148 . . . . 0.0 109.317 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 40.8 m80 -70.55 -20.4 62.8 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.449 1.093 . . . . 0.0 109.634 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 10.9 m . . . . . 0 C--N 1.325 -0.46 0 O-C-N 124.536 1.148 . . . . 0.0 109.268 -179.985 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.028 0 N-CA-C 110.966 -0.854 . . . . 0.0 110.966 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -120.35 109.2 15.07 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.515 0.773 . . . . 0.0 110.338 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -73.4 120.47 19.05 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.52 1.137 . . . . 0.0 110.315 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 5.7 m-85 -131.12 160.87 33.47 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.543 1.152 . . . . 0.0 111.011 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 2.1 t -117.74 142.03 33.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.533 1.145 . . . . 0.0 109.269 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -74.93 118.21 17.64 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.529 1.143 . . . . 0.0 109.278 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . 0.435 ' CG1' ' O ' ' A' ' 58' ' ' HIS . 2.5 pt -76.02 -3.69 5.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.493 1.121 . . . . 0.0 109.308 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -171.16 138.31 1.23 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.542 1.152 . . . . 0.0 109.256 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 6.4 p-10 -60.73 140.45 57.53 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.445 1.09 . . . . 0.0 109.309 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . 0.434 ' OH ' ' NE2' ' A' ' 23' ' ' GLN . 53.7 t80 -130.88 161.36 32.02 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.543 1.152 . . . . 0.0 111.009 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -133.33 115.61 15.11 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.474 1.109 . . . . 0.0 109.314 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -53.94 115.76 2.19 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.462 1.101 . . . . 0.0 109.29 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 72.0 p -82.67 -10.11 59.07 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.492 1.12 . . . . 0.0 110.425 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -138.25 173.97 11.05 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.474 1.109 . . . . 0.0 109.33 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 13.5 pt-20 -88.47 17.25 5.49 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.545 1.153 . . . . 0.0 110.243 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 21.0 p -123.15 13.41 9.67 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.454 1.097 . . . . 0.0 110.441 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . 0.434 ' NE2' ' OH ' ' A' ' 16' ' ' TYR . 65.3 mt-30 -125.06 157.08 37.12 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.479 1.112 . . . . 0.0 110.28 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 12.7 mt -100.1 146.13 27.15 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.514 1.133 . . . . 0.0 109.347 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 79.7 p -111.94 137.81 49.42 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.512 1.132 . . . . 0.0 109.969 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . 0.573 ' CD2' HD11 ' A' ' 32' ' ' ILE . 11.0 p90 -154.39 -178.9 7.46 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.501 1.125 . . . . 0.0 111.029 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -127.69 142.86 51.22 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.533 1.145 . . . . 0.0 109.339 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 8.8 ttt85 -39.16 115.33 0.48 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.531 1.144 . . . . 0.0 110.32 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 114.65 -40.41 2.48 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.525 1.141 . . . . 0.0 111.01 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -39.04 134.38 1.05 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.509 0.77 . . . . 0.0 110.313 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . 0.453 ' O ' ' NH2' ' A' ' 47' ' ' ARG . 0.3 OUTLIER -74.81 100.34 4.01 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.549 1.156 . . . . 0.0 109.302 -179.998 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . 0.573 HD11 ' CD2' ' A' ' 26' ' ' PHE . 4.4 mm -95.45 123.95 47.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.53 1.144 . . . . 0.0 109.262 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -89.5 117.66 28.57 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.484 1.115 . . . . 0.0 109.321 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.546 ' CD1' ' CD1' ' A' ' 54' ' ' ILE . 33.3 mm -91.16 77.63 1.35 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.472 1.107 . . . . 0.0 109.279 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.461 ' CD2' ' HB2' ' A' ' 46' ' ' GLU . 7.0 mp -46.1 -67.61 0.27 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.426 1.079 . . . . 0.0 109.345 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 5.6 ttt180 -128.38 163.01 25.77 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.496 1.122 . . . . 0.0 110.313 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . 0.445 ' O ' ' N ' ' A' ' 39' ' ' THR . 6.6 mt-30 -99.08 -50.83 4.03 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.513 1.133 . . . . 0.0 110.302 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 21.0 m 66.61 -69.79 0.12 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.497 1.123 . . . . 0.0 110.409 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' THR . . . . . 0.445 ' N ' ' O ' ' A' ' 37' ' ' GLN . 14.4 p -123.22 160.58 26.28 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.53 1.144 . . . . 0.0 110.406 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -86.51 10.49 15.15 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.562 1.164 . . . . 0.0 109.308 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 3.6 t0 -121.73 -42.22 2.43 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.464 1.102 . . . . 0.0 109.262 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 78.8 m95 -120.52 130.26 54.17 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.474 1.109 . . . . 0.0 108.028 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' TRP . . . . . 0.406 ' CD1' ' HB2' ' A' ' 56' ' ' ALA . 45.4 m0 -113.15 160.12 18.55 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.484 1.115 . . . . 0.0 108.015 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 41.0 t-105 -106.79 107.92 19.17 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.498 1.123 . . . . 0.0 107.975 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -105.02 174.78 21.73 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.478 1.111 . . . . 0.0 110.993 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . 0.461 ' HB2' ' CD2' ' A' ' 35' ' ' LEU . 20.1 tt0 -146.62 120.22 9.14 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.464 0.744 . . . . 0.0 110.256 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . 0.453 ' NH2' ' O ' ' A' ' 31' ' ' LYS . 0.0 OUTLIER -93.65 -176.09 3.96 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.526 1.141 . . . . 0.0 110.303 179.945 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -57.85 103.17 0.12 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.464 1.103 . . . . 0.0 109.24 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 62.4 9.2 22.81 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.486 1.116 . . . . 0.0 110.98 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 1.1 m -114.45 157.35 23.02 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 108.289 -1.004 . . . . 0.0 108.289 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 8.2 p -148.46 112.2 5.09 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.481 1.113 . . . . 0.0 108.267 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -148.14 178.96 25.38 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.551 1.157 . . . . 0.0 111.013 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 2.7 m-85 -91.86 148.91 21.87 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.55 0.794 . . . . 0.0 111.033 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . 0.546 ' CD1' ' CD1' ' A' ' 34' ' ' ILE . 5.1 pt -134.42 151.41 76.13 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.52 1.138 . . . . 0.0 109.324 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 167.32 27.31 Favored 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.499 1.789 . . . . 0.0 111.033 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . 0.406 ' HB2' ' CD1' ' A' ' 43' ' ' TRP . . . -111.3 84.48 1.95 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.503 1.127 . . . . 0.0 109.286 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 1.8 t-20 170.68 -35.39 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.511 1.132 . . . . 0.0 109.295 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' HIS . . . . . 0.435 ' O ' ' CG1' ' A' ' 13' ' ' ILE . 13.9 m80 -69.28 -28.47 66.32 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.478 1.111 . . . . 0.0 109.623 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 13.3 m . . . . . 0 C--N 1.325 -0.498 0 O-C-N 124.516 1.135 . . . . 0.0 109.332 179.967 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.997 0 N-CA-C 110.979 -0.849 . . . . 0.0 110.979 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 8.9 mt-10 -121.41 135.13 55.1 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.529 0.782 . . . . 0.0 110.286 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -90.89 117.82 29.79 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.461 1.1 . . . . 0.0 110.319 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 14.6 m-85 -115.89 163.39 15.95 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.537 1.148 . . . . 0.0 111.013 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 2.3 t -124.09 136.45 60.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.498 1.124 . . . . 0.0 109.267 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -70.96 117.9 13.04 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.486 1.116 . . . . 0.0 109.292 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . 0.407 ' N ' ' O ' ' A' ' 58' ' ' HIS . 2.9 pt -66.14 -17.27 22.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.458 1.098 . . . . 0.0 109.319 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -163.81 156.82 18.21 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.472 1.107 . . . . 0.0 109.308 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 2.9 p-10 -62.37 143.79 56.57 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.406 1.066 . . . . 0.0 109.316 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . 0.557 ' HB2' ' CD2' ' A' ' 58' ' ' HIS . 11.2 t80 -133.17 152.49 51.94 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.533 1.145 . . . . 0.0 110.974 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -129.9 114.45 15.89 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.491 1.119 . . . . 0.0 109.284 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -53.12 130.94 35.83 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.515 1.134 . . . . 0.0 109.289 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -84.45 -36.5 22.29 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.45 1.094 . . . . 0.0 110.388 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 5.3 t0 -108.43 -172.65 2.1 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.566 1.166 . . . . 0.0 109.265 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -99.82 17.66 20.21 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.48 1.112 . . . . 0.0 110.293 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 40.9 p -127.79 28.95 5.53 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.459 1.1 . . . . 0.0 110.382 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 81.5 mt-30 -126.52 163.45 23.36 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.477 1.11 . . . . 0.0 110.309 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 21.7 mt -105.91 136.33 45.75 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.49 1.119 . . . . 0.0 109.348 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 9.8 p -109.36 133.22 53.33 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.507 1.129 . . . . 0.0 109.983 -179.933 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . 0.529 ' CE1' ' HB3' ' A' ' 16' ' ' TYR . 2.0 p90 -143.53 -178.96 6.14 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.459 1.099 . . . . 0.0 110.988 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.402 ' O ' ' C ' ' A' ' 28' ' ' ARG . 0.1 OUTLIER -127.44 143.9 51.13 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.506 1.129 . . . . 0.0 109.289 179.973 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . 0.402 ' C ' ' O ' ' A' ' 27' ' ' LEU . 5.3 ttt180 -39.01 122.9 1.25 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.477 1.111 . . . . 0.0 110.275 -179.942 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 104.63 -32.0 7.99 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.498 1.124 . . . . 0.0 111.035 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 4.8 mt-10 -45.93 129.96 9.63 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.512 0.772 . . . . 0.0 110.317 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 19.3 mmtt -76.51 102.32 6.0 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.494 1.121 . . . . 0.0 109.297 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . 0.462 HD13 ' CB ' ' A' ' 26' ' ' PHE . 4.9 mm -94.95 158.07 2.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.541 1.151 . . . . 0.0 109.274 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.419 HD13 ' N ' ' A' ' 34' ' ' ILE . 0.1 OUTLIER -117.88 134.0 55.37 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.47 1.106 . . . . 0.0 109.341 179.972 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.592 ' CD1' ' CD1' ' A' ' 54' ' ' ILE . 30.2 mm -112.41 94.9 3.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.572 1.17 . . . . 0.0 109.293 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.454 HD23 ' CB ' ' A' ' 46' ' ' GLU . 2.3 mm? -70.54 -63.04 1.17 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.486 1.116 . . . . 0.0 109.317 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -131.55 155.27 47.76 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.461 1.101 . . . . 0.0 110.308 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . 0.442 ' O ' ' N ' ' A' ' 39' ' ' THR . 38.7 mt-30 -89.71 -16.45 30.35 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.473 1.108 . . . . 0.0 110.307 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 90.5 m 62.67 -78.91 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.491 1.119 . . . . 0.0 110.411 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' THR . . . . . 0.442 ' N ' ' O ' ' A' ' 37' ' ' GLN . 22.9 p -116.86 -64.22 1.34 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.524 1.14 . . . . 0.0 110.459 179.945 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . 0.421 ' O ' ' NE1' ' A' ' 43' ' ' TRP . . . 169.08 -39.88 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.487 1.117 . . . . 0.0 109.302 179.941 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -87.39 -39.05 15.62 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.493 1.121 . . . . 0.0 109.329 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 94.0 m95 -106.17 123.52 48.16 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.539 1.149 . . . . 0.0 108.003 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' TRP . . . . . 0.421 ' NE1' ' O ' ' A' ' 40' ' ' ALA . 43.8 m0 -112.24 154.76 25.11 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.505 1.128 . . . . 0.0 108.024 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' TRP . . . . . 0.539 ' CE3' ' CE2' ' A' ' 53' ' ' TYR . 56.1 t-105 -104.9 106.11 16.46 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 107.98 -1.119 . . . . 0.0 107.98 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -105.64 -171.97 23.73 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.438 1.086 . . . . 0.0 111.033 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . 0.454 ' CB ' HD23 ' A' ' 35' ' ' LEU . 34.2 tt0 -147.8 121.3 9.11 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.479 0.752 . . . . 0.0 110.312 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 3.1 mmm180 -91.3 -177.14 4.77 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.484 1.115 . . . . 0.0 110.334 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -59.46 103.79 0.22 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.501 1.126 . . . . 0.0 109.267 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 62.94 7.14 14.87 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.503 1.127 . . . . 0.0 110.989 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 1.1 m -115.23 162.06 17.59 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 108.297 -1.001 . . . . 0.0 108.297 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 11.6 m -148.59 111.18 4.74 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.546 1.154 . . . . 0.0 108.294 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -148.92 -176.9 22.64 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.488 1.117 . . . . 0.0 110.999 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' TYR . . . . . 0.539 ' CE2' ' CE3' ' A' ' 44' ' ' TRP . 4.2 m-85 -90.19 160.53 16.18 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.518 0.775 . . . . 0.0 111.019 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . 0.592 ' CD1' ' CD1' ' A' ' 34' ' ' ILE . 2.6 pt -144.75 147.6 36.24 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.479 1.112 . . . . 0.0 109.257 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.06 163.63 34.83 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.529 1.804 . . . . 0.0 111.002 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -110.19 84.03 1.86 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.514 1.134 . . . . 0.0 109.304 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 38.5 t-20 177.32 -38.56 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.449 1.093 . . . . 0.0 109.31 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' HIS . . . . . 0.557 ' CD2' ' HB2' ' A' ' 16' ' ' TYR . 39.2 m80 -70.98 -28.1 64.2 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.529 1.143 . . . . 0.0 109.618 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 15.7 m . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.51 1.131 . . . . 0.0 109.304 179.972 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . 0.476 ' HA3' ' CD1' ' A' ' 33' ' ' LEU . . . . . . . . 0 CA--C 1.53 0.983 0 N-CA-C 111.006 -0.837 . . . . 0.0 111.006 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -123.81 121.2 34.79 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.503 0.767 . . . . 0.0 110.302 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . 0.465 ' HG3' ' CD2' ' A' ' 33' ' ' LEU . 0.1 OUTLIER -78.98 104.17 9.44 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.513 1.133 . . . . 0.0 110.288 -179.997 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 11.0 m-85 -106.88 160.39 15.55 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.519 1.137 . . . . 0.0 110.969 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 2.2 t -121.21 136.55 57.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.496 1.122 . . . . 0.0 109.265 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -70.91 117.95 13.07 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.472 1.107 . . . . 0.0 109.361 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 3.5 pt -67.33 -18.38 23.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.482 1.114 . . . . 0.0 109.323 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -162.57 152.3 15.96 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.498 1.124 . . . . 0.0 109.311 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 4.8 p-10 -59.37 141.35 54.76 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.513 1.133 . . . . 0.0 109.295 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . 0.447 ' HB3' ' CE1' ' A' ' 26' ' ' PHE . 82.9 t80 -131.56 153.3 50.0 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.472 1.107 . . . . 0.0 110.977 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -128.35 112.5 14.5 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.472 1.108 . . . . 0.0 109.28 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -53.17 120.18 5.63 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.471 1.107 . . . . 0.0 109.302 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -76.7 -27.05 55.36 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.535 1.147 . . . . 0.0 110.394 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 5.3 t0 -116.76 173.21 6.76 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.525 1.141 . . . . 0.0 109.277 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -90.79 17.57 7.55 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.532 1.145 . . . . 0.0 110.321 179.94 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 81.3 p -121.96 6.76 9.81 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.452 1.095 . . . . 0.0 110.413 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 24.3 mt-30 -108.19 170.56 7.93 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.479 1.112 . . . . 0.0 110.331 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 20.5 mt -110.85 142.98 42.15 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.453 1.095 . . . . 0.0 109.292 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 8.5 p -113.66 129.03 56.64 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.509 1.131 . . . . 0.0 110.026 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . 0.46 ' CB ' HD12 ' A' ' 32' ' ' ILE . 2.1 p90 -138.73 -178.96 5.54 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.456 1.097 . . . . 0.0 111.007 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -126.23 142.19 51.62 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.558 1.162 . . . . 0.0 109.317 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 9.2 ttt180 -38.89 118.1 0.73 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.435 1.084 . . . . 0.0 110.308 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 109.0 -31.17 7.93 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.483 1.114 . . . . 0.0 110.988 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -47.24 130.72 13.1 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.536 0.786 . . . . 0.0 110.26 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 45.0 mmtt -76.99 103.21 6.79 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.522 1.139 . . . . 0.0 109.317 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . 0.46 HD12 ' CB ' ' A' ' 26' ' ' PHE . 4.7 mm -95.59 144.64 9.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.535 1.147 . . . . 0.0 109.331 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.476 ' CD1' ' HA3' ' A' ' 7' ' ' GLY . 0.2 OUTLIER -107.13 125.17 50.72 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.515 1.134 . . . . 0.0 109.308 -179.969 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.546 ' CD1' ' CD1' ' A' ' 54' ' ' ILE . 35.0 mm -101.65 100.7 10.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.522 1.139 . . . . 0.0 109.306 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.5 ' CD2' ' C ' ' A' ' 45' ' ' GLY . 0.4 OUTLIER -71.18 -67.5 0.51 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.472 1.108 . . . . 0.0 109.278 -179.997 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 12.7 mmt85 -127.1 168.46 14.59 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.453 1.096 . . . . 0.0 110.325 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . 0.436 ' O ' ' N ' ' A' ' 39' ' ' THR . 57.7 mt-30 -100.13 -31.29 11.48 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.461 1.1 . . . . 0.0 110.302 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 10.0 m 67.9 -66.77 0.21 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.526 1.141 . . . . 0.0 110.405 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' THR . . . . . 0.436 ' N ' ' O ' ' A' ' 37' ' ' GLN . 3.3 p -123.41 -80.05 0.62 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.43 1.081 . . . . 0.0 110.345 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . 0.411 ' O ' ' NE1' ' A' ' 43' ' ' TRP . . . 176.87 -42.25 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.519 1.137 . . . . 0.0 109.3 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -82.72 -35.42 26.7 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.455 1.097 . . . . 0.0 109.317 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 93.2 m95 -113.73 124.81 53.18 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.485 1.115 . . . . 0.0 108.003 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' TRP . . . . . 0.411 ' NE1' ' O ' ' A' ' 40' ' ' ALA . 46.7 m0 -111.86 161.53 16.27 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 107.954 -1.128 . . . . 0.0 107.954 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' TRP . . . . . 0.439 ' CE3' ' CD2' ' A' ' 53' ' ' TYR . 68.9 t-105 -108.3 109.38 20.71 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.492 1.12 . . . . 0.0 108.003 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . 0.5 ' C ' ' CD2' ' A' ' 35' ' ' LEU . . . -105.36 -172.75 24.05 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.556 1.16 . . . . 0.0 111.004 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . 0.47 ' CB ' HD23 ' A' ' 35' ' ' LEU . 22.1 tt0 -152.02 120.65 6.49 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.464 0.743 . . . . 0.0 110.355 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -92.88 -173.7 3.38 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.473 1.108 . . . . 0.0 110.269 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -60.93 103.14 0.24 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.527 1.142 . . . . 0.0 109.298 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 62.3 9.08 21.48 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.485 1.116 . . . . 0.0 110.958 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -114.74 160.39 19.46 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 108.326 -0.99 . . . . 0.0 108.326 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 12.0 p -148.66 112.3 5.06 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.498 1.124 . . . . 0.0 108.296 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -148.37 -177.65 22.84 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.509 1.13 . . . . 0.0 111.018 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' TYR . . . . . 0.439 ' CD2' ' CE3' ' A' ' 44' ' ' TRP . 10.8 m-85 -94.53 151.05 19.65 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.559 0.799 . . . . 0.0 111.014 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . 0.546 ' CD1' ' CD1' ' A' ' 34' ' ' ILE . 2.6 pt -132.61 150.9 77.1 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.49 1.119 . . . . 0.0 109.289 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.94 175.77 10.78 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.477 1.777 . . . . 0.0 111.016 179.937 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -121.94 86.27 2.55 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.543 1.152 . . . . 0.0 109.291 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 4.6 t-20 169.38 -36.56 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.495 1.122 . . . . 0.0 109.308 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 80.0 m-70 -71.73 -25.03 61.89 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.541 1.151 . . . . 0.0 109.552 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 11.0 m . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.486 1.116 . . . . 0.0 109.309 -179.995 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . 0.462 ' HA3' ' CD1' ' A' ' 33' ' ' LEU . . . . . . . . 0 CA--C 1.53 0.975 0 N-CA-C 110.974 -0.85 . . . . 0.0 110.974 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 24.0 mt-10 -116.42 125.92 52.7 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.514 0.773 . . . . 0.0 110.253 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . 0.483 ' OE1' ' CG ' ' A' ' 31' ' ' LYS . 0.0 OUTLIER -83.64 109.64 17.61 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.499 1.124 . . . . 0.0 110.28 179.972 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 11.4 m-85 -112.87 156.71 22.46 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.482 1.114 . . . . 0.0 111.021 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 2.1 t -116.71 140.05 40.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.522 1.139 . . . . 0.0 109.345 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . 0.503 ' HB3' ' CD1' ' A' ' 26' ' ' PHE . . . -71.87 118.11 14.32 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.518 1.136 . . . . 0.0 109.293 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 3.0 pt -71.21 -13.59 17.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.543 1.152 . . . . 0.0 109.272 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -168.7 141.93 2.95 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.485 1.115 . . . . 0.0 109.279 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 1.9 p-10 -59.15 143.75 47.89 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.521 1.138 . . . . 0.0 109.275 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 30.6 t80 -133.56 161.79 33.66 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.492 1.12 . . . . 0.0 110.999 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -131.59 107.98 9.21 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.485 1.116 . . . . 0.0 109.311 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -53.01 123.03 10.54 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.55 1.156 . . . . 0.0 109.306 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -82.51 -22.7 34.95 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.534 1.146 . . . . 0.0 110.432 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -120.04 -177.63 3.46 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.502 1.127 . . . . 0.0 109.315 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 7.5 pt-20 -98.06 17.8 17.57 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.51 1.131 . . . . 0.0 110.298 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 81.2 p -118.1 -5.12 10.96 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.492 1.12 . . . . 0.0 110.381 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 37.4 mt-30 -103.61 159.77 15.32 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.486 1.116 . . . . 0.0 110.279 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 18.2 mt -106.83 144.01 34.09 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.534 1.146 . . . . 0.0 109.28 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' SER . . . . . 0.431 ' O ' ' NE ' ' A' ' 47' ' ' ARG . 13.3 p -112.71 133.08 54.9 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.456 1.097 . . . . 0.0 109.993 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . 0.503 ' CD1' ' HB3' ' A' ' 12' ' ' ALA . 2.2 p90 -143.76 176.59 9.13 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.493 1.12 . . . . 0.0 110.999 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -119.92 142.63 48.55 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.518 1.136 . . . . 0.0 109.289 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 4.9 ttt-85 -41.16 112.3 0.29 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.444 1.09 . . . . 0.0 110.295 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 118.05 -37.76 3.15 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.521 1.138 . . . . 0.0 110.964 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -40.72 131.81 2.31 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.502 0.766 . . . . 0.0 110.322 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . 0.483 ' CG ' ' OE1' ' A' ' 9' ' ' GLU . 0.4 OUTLIER -77.35 102.92 7.0 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.499 1.125 . . . . 0.0 109.25 -179.962 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . 0.464 HD13 ' CB ' ' A' ' 26' ' ' PHE . 4.7 mm -96.0 149.18 4.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.488 1.118 . . . . 0.0 109.262 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.462 ' CD1' ' HA3' ' A' ' 7' ' ' GLY . 0.1 OUTLIER -114.24 124.86 53.08 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.474 1.108 . . . . 0.0 109.339 179.977 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.523 ' CD1' ' CD1' ' A' ' 54' ' ' ILE . 15.1 mm -99.88 102.4 13.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.558 1.161 . . . . 0.0 109.282 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.461 HD23 ' CB ' ' A' ' 46' ' ' GLU . 3.0 mm? -71.64 -68.23 0.47 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.127 . . . . 0.0 109.282 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 14.9 mtp180 -123.2 168.78 12.0 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.524 1.14 . . . . 0.0 110.319 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . 0.418 ' O ' ' N ' ' A' ' 39' ' ' THR . 40.0 mt-30 -97.37 -28.56 13.97 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.506 1.129 . . . . 0.0 110.277 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 28.7 m 67.25 -68.57 0.15 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.495 1.122 . . . . 0.0 110.362 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' THR . . . . . 0.418 ' N ' ' O ' ' A' ' 37' ' ' GLN . 51.2 p -130.21 -78.66 0.54 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.528 1.143 . . . . 0.0 110.368 -179.959 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . 0.429 ' O ' ' CB ' ' A' ' 56' ' ' ALA . . . 176.49 -37.37 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.509 1.131 . . . . 0.0 109.263 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 22.7 m-20 -91.34 -18.01 24.97 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.475 1.11 . . . . 0.0 109.282 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 94.3 m95 -130.78 123.04 28.29 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.502 1.126 . . . . 0.0 108.012 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' TRP . . . . . 0.424 ' CE2' ' HB3' ' A' ' 56' ' ' ALA . 45.6 m0 -112.38 163.65 14.18 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.507 1.129 . . . . 0.0 107.974 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' TRP . . . . . 0.405 ' CE3' ' CD2' ' A' ' 53' ' ' TYR . 67.5 t-105 -112.66 115.0 27.87 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 107.969 -1.123 . . . . 0.0 107.969 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -113.19 -179.24 19.4 Favored Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.529 1.143 . . . . 0.0 110.982 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . 0.461 ' CB ' HD23 ' A' ' 35' ' ' LEU . 40.5 tt0 -140.56 120.73 13.82 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.509 0.77 . . . . 0.0 110.277 -179.959 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . 0.431 ' NE ' ' O ' ' A' ' 25' ' ' SER . 0.0 OUTLIER -92.14 -174.43 3.75 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.464 1.103 . . . . 0.0 110.282 -179.988 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -62.02 102.97 0.32 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.446 1.091 . . . . 0.0 109.278 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 62.42 8.16 17.9 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.53 1.144 . . . . 0.0 110.991 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 1.3 m -115.07 161.63 18.11 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 108.326 -0.991 . . . . 0.0 108.326 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 12.8 p -148.5 111.53 4.87 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.479 1.112 . . . . 0.0 108.317 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -148.58 -176.97 22.44 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.487 1.117 . . . . 0.0 111.009 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' TYR . . . . . 0.405 ' CD2' ' CE3' ' A' ' 44' ' ' TRP . 11.3 m-85 -91.1 162.5 14.65 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.536 0.786 . . . . 0.0 110.998 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . 0.523 ' CD1' ' CD1' ' A' ' 34' ' ' ILE . 4.0 pt -145.83 149.65 40.25 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.518 1.136 . . . . 0.0 109.306 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 155.69 42.99 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.524 1.802 . . . . 0.0 110.988 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . 0.429 ' CB ' ' O ' ' A' ' 40' ' ' ALA . . . -100.63 80.78 2.23 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.129 . . . . 0.0 109.303 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 2.4 t30 173.56 -47.61 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.497 1.123 . . . . 0.0 109.312 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 1.7 m-70 -58.18 -19.91 36.95 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.445 1.091 . . . . 0.0 109.597 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 7.7 m . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.426 1.079 . . . . 0.0 109.297 179.985 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . 0.435 ' HA3' ' CD1' ' A' ' 33' ' ' LEU . . . . . . . . 0 CA--C 1.53 0.969 0 N-CA-C 111.012 -0.835 . . . . 0.0 111.012 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -110.14 117.22 33.13 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.467 0.745 . . . . 0.0 110.316 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . 0.456 ' HG3' ' CD2' ' A' ' 33' ' ' LEU . 0.4 OUTLIER -80.28 133.47 35.97 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.442 1.089 . . . . 0.0 110.298 -179.966 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 7.3 m-85 -140.14 161.37 37.79 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.526 1.141 . . . . 0.0 111.034 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 2.0 t -120.27 139.15 48.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.52 1.138 . . . . 0.0 109.306 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -74.57 121.34 21.42 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.511 1.132 . . . . 0.0 109.261 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . 0.41 ' CG1' ' O ' ' A' ' 58' ' ' HIS . 3.1 pt -80.24 1.67 2.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.465 1.103 . . . . 0.0 109.296 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -171.99 155.73 3.87 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.45 1.094 . . . . 0.0 109.286 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 6.5 p-10 -75.3 135.23 40.92 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.515 1.135 . . . . 0.0 109.287 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . 0.44 ' OH ' ' NE2' ' A' ' 23' ' ' GLN . 61.2 t80 -126.6 163.57 23.15 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.513 1.133 . . . . 0.0 110.999 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . 0.407 ' N ' ' CG ' ' A' ' 16' ' ' TYR . . . -141.15 112.92 7.68 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.445 1.09 . . . . 0.0 109.334 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -53.05 133.22 38.71 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.548 1.155 . . . . 0.0 109.298 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 15.9 p -100.22 -16.79 17.63 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.559 1.162 . . . . 0.0 110.36 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -120.05 177.61 4.93 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.49 1.119 . . . . 0.0 109.269 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 9.0 pt-20 -93.55 17.19 12.04 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.435 1.084 . . . . 0.0 110.301 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 60.1 p -129.54 21.1 5.59 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.522 1.139 . . . . 0.0 110.416 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . 0.44 ' NE2' ' OH ' ' A' ' 16' ' ' TYR . 60.8 mt-30 -122.4 170.04 10.36 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.565 1.166 . . . . 0.0 110.334 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 43.5 mt -120.34 144.54 47.8 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.516 1.135 . . . . 0.0 109.294 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 6.6 m -112.19 136.63 51.36 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.529 1.143 . . . . 0.0 110.022 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . 0.473 ' CB ' HD12 ' A' ' 32' ' ' ILE . 1.9 p90 -148.12 176.89 9.84 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.499 1.125 . . . . 0.0 110.969 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -120.26 150.51 40.58 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.511 1.132 . . . . 0.0 109.308 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 65.8 ttt180 -46.94 108.72 0.15 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.496 1.123 . . . . 0.0 110.275 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 121.38 -39.8 2.28 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.461 1.1 . . . . 0.0 110.991 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -39.69 132.54 1.64 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.481 0.753 . . . . 0.0 110.335 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.91 104.04 8.23 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.474 1.109 . . . . 0.0 109.304 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . 0.473 HD12 ' CB ' ' A' ' 26' ' ' PHE . 4.6 mm -99.71 138.02 25.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.49 1.119 . . . . 0.0 109.293 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.456 ' CD2' ' HG3' ' A' ' 9' ' ' GLU . 0.2 OUTLIER -98.54 136.24 38.92 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.448 1.093 . . . . 0.0 109.3 -179.998 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.504 ' CD1' ' CD1' ' A' ' 54' ' ' ILE . 42.4 mm -109.05 79.03 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.489 1.118 . . . . 0.0 109.35 179.948 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 5.7 mp -46.63 -66.84 0.34 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.47 1.106 . . . . 0.0 109.276 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 4.7 mtp85 -137.87 179.0 6.69 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.458 1.099 . . . . 0.0 110.343 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 92.9 mt-30 -124.6 107.47 11.05 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.474 1.109 . . . . 0.0 110.324 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 6.4 m -41.96 -57.22 2.5 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.521 1.138 . . . . 0.0 110.379 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 81.6 p -144.29 -52.48 0.31 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.537 1.148 . . . . 0.0 110.418 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . 174.28 -35.43 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.547 1.154 . . . . 0.0 109.333 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -87.52 -42.13 12.98 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.555 1.159 . . . . 0.0 109.275 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 93.6 m95 -105.66 125.91 51.53 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.519 1.137 . . . . 0.0 108.027 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' TRP . . . . . 0.411 ' CE3' HG23 ' A' ' 34' ' ' ILE . 47.2 m0 -114.23 152.64 30.97 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.519 1.137 . . . . 0.0 108.008 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' TRP . . . . . 0.405 ' HZ3' ' CE2' ' A' ' 53' ' ' TYR . 71.2 t-105 -99.89 105.04 16.73 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.55 1.156 . . . . 0.0 108.006 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . 0.406 ' HA3' ' CD1' ' A' ' 54' ' ' ILE . . . -100.96 -177.5 29.27 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.513 1.133 . . . . 0.0 110.97 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 22.3 tt0 -150.81 120.44 6.98 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.498 0.763 . . . . 0.0 110.326 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -92.69 -174.14 3.55 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.51 1.131 . . . . 0.0 110.31 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -60.14 103.45 0.23 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.553 1.158 . . . . 0.0 109.289 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 62.91 7.64 17.64 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.472 1.107 . . . . 0.0 110.974 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' CYS . . . . . 0.401 ' C ' ' SG ' ' A' ' 51' ' ' CYS . 1.0 OUTLIER -114.97 160.35 19.67 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 108.328 -0.99 . . . . 0.0 108.328 179.989 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' CYS . . . . . 0.401 ' SG ' ' C ' ' A' ' 50' ' ' CYS . 5.6 m -148.63 113.02 5.28 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.431 1.082 . . . . 0.0 108.313 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -148.23 -177.03 22.21 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.514 1.134 . . . . 0.0 110.955 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' TYR . . . . . 0.405 ' CE2' ' HZ3' ' A' ' 44' ' ' TRP . 26.6 m-85 -91.13 159.8 15.9 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.485 0.756 . . . . 0.0 111.051 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . 0.504 ' CD1' ' CD1' ' A' ' 34' ' ' ILE . 3.3 pt -146.61 147.44 30.37 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.456 1.097 . . . . 0.0 109.331 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 164.04 34.07 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.464 1.77 . . . . 0.0 110.977 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -110.62 84.51 1.94 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.528 1.143 . . . . 0.0 109.315 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 2.6 t30 174.91 -38.96 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.521 1.138 . . . . 0.0 109.293 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' HIS . . . . . 0.41 ' O ' ' CG1' ' A' ' 13' ' ' ILE . 1.8 m-70 -70.2 -32.4 70.29 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.502 1.127 . . . . 0.0 109.583 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 19.5 m . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.518 1.137 . . . . 0.0 109.287 -179.971 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . 0.465 ' HA3' ' CD1' ' A' ' 33' ' ' LEU . . . . . . . . 0 CA--C 1.53 1.022 0 N-CA-C 111.009 -0.836 . . . . 0.0 111.009 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -116.48 104.09 11.09 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.526 0.78 . . . . 0.0 110.35 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -74.68 123.2 24.46 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.495 1.122 . . . . 0.0 110.296 -179.953 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . 0.405 ' O ' ' N ' ' A' ' 32' ' ' ILE . 7.6 m-85 -132.86 158.12 43.32 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.478 1.111 . . . . 0.0 110.981 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 1.6 t -117.29 142.42 31.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.489 1.118 . . . . 0.0 109.318 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -72.28 118.7 15.49 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.518 1.136 . . . . 0.0 109.258 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . 0.413 ' N ' ' O ' ' A' ' 58' ' ' HIS . 1.5 pt -61.9 -14.5 11.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.547 1.154 . . . . 0.0 109.314 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . 0.472 ' HA ' ' CG ' ' A' ' 28' ' ' ARG . . . -166.39 179.75 5.42 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.469 1.105 . . . . 0.0 109.295 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 1.3 p30 -87.0 129.49 34.86 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.456 1.098 . . . . 0.0 109.331 179.936 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . 0.501 ' CG ' ' N ' ' A' ' 17' ' ' ALA . 77.9 t80 -122.13 170.83 9.48 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.481 1.113 . . . . 0.0 111.004 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . 0.501 ' N ' ' CG ' ' A' ' 16' ' ' TYR . . . -139.31 146.63 40.55 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.438 1.086 . . . . 0.0 109.295 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -89.69 121.83 32.23 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.504 1.128 . . . . 0.0 109.31 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 15.2 p -115.75 7.3 14.61 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.487 1.117 . . . . 0.0 110.411 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -123.04 -178.65 4.02 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.548 1.155 . . . . 0.0 109.273 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -103.76 14.99 29.82 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.524 1.14 . . . . 0.0 110.271 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 22.6 p -147.41 38.54 0.95 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.526 1.141 . . . . 0.0 110.405 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 86.0 mt-30 -131.42 164.88 24.75 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.469 1.105 . . . . 0.0 110.326 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 49.7 mt -117.84 142.93 46.76 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.486 1.116 . . . . 0.0 109.326 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 12.2 p -109.54 128.97 55.58 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.52 1.137 . . . . 0.0 109.981 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . 0.463 ' CE1' ' HB3' ' A' ' 16' ' ' TYR . 1.8 p90 -138.69 178.77 6.91 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.532 1.145 . . . . 0.0 110.99 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -123.21 145.12 48.91 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.484 1.115 . . . . 0.0 109.3 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . 0.472 ' CG ' ' HA ' ' A' ' 14' ' ' ALA . 5.2 ttt85 -43.81 107.74 0.09 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.458 1.099 . . . . 0.0 110.324 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 123.25 -35.98 3.19 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.518 1.136 . . . . 0.0 110.982 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -43.97 132.87 5.24 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.48 0.753 . . . . 0.0 110.307 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.06 103.98 11.24 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.514 1.134 . . . . 0.0 109.315 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . 0.405 ' N ' ' O ' ' A' ' 10' ' ' PHE . 4.3 mm -94.75 128.73 45.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.487 1.117 . . . . 0.0 109.271 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.465 ' CD1' ' HA3' ' A' ' 7' ' ' GLY . 0.2 OUTLIER -90.25 117.91 29.36 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.517 1.136 . . . . 0.0 109.303 179.954 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.458 ' CD1' HD13 ' A' ' 54' ' ' ILE . 13.3 mm -93.37 105.5 16.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.522 1.139 . . . . 0.0 109.293 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.476 HD21 ' CB ' ' A' ' 46' ' ' GLU . 2.5 mm? -79.13 -65.22 1.03 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.459 1.1 . . . . 0.0 109.323 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 7.1 ttt180 -126.81 141.45 51.82 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.486 1.117 . . . . 0.0 110.311 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . 0.44 ' O ' ' N ' ' A' ' 39' ' ' THR . 80.4 mt-30 -79.67 -15.58 57.31 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.448 1.093 . . . . 0.0 110.329 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 72.3 m 63.89 -76.78 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.523 1.139 . . . . 0.0 110.382 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' THR . . . . . 0.44 ' N ' ' O ' ' A' ' 37' ' ' GLN . 72.6 p -123.77 -69.56 0.81 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.506 1.128 . . . . 0.0 110.393 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . 170.4 -33.53 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.461 1.101 . . . . 0.0 109.31 -179.935 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 1.5 t0 -88.54 -28.19 20.93 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.509 1.131 . . . . 0.0 109.256 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' TRP . . . . . 0.402 ' O ' ' O ' ' A' ' 37' ' ' GLN . 88.7 m95 -124.95 128.23 48.27 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.507 1.129 . . . . 0.0 107.981 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' TRP . . . . . 0.405 ' O ' ' N ' ' A' ' 54' ' ' ILE . 46.9 m0 -112.87 156.64 22.58 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 108.007 -1.109 . . . . 0.0 108.007 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' TRP . . . . . 0.433 ' CE3' ' CD2' ' A' ' 53' ' ' TYR . 63.7 t-105 -109.22 117.29 33.74 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.501 1.126 . . . . 0.0 107.983 -179.95 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -115.24 -178.25 18.66 Favored Glycine 0 CA--C 1.529 0.935 0 O-C-N 124.48 1.113 . . . . 0.0 111.034 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . 0.476 ' CB ' HD21 ' A' ' 35' ' ' LEU . 45.5 tt0 -141.16 120.65 13.21 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.46 0.741 . . . . 0.0 110.28 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -92.3 -173.69 3.49 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.464 1.102 . . . . 0.0 110.293 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -62.99 103.03 0.41 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.479 1.112 . . . . 0.0 109.281 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 62.28 8.47 18.61 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.483 1.114 . . . . 0.0 111.041 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 1.1 m -115.03 161.3 18.53 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 108.314 -0.995 . . . . 0.0 108.314 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 12.5 p -148.53 111.59 4.88 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.488 1.117 . . . . 0.0 108.32 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -148.59 -176.9 22.39 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.507 1.129 . . . . 0.0 110.992 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' TYR . . . . . 0.433 ' CD2' ' CE3' ' A' ' 44' ' ' TRP . 4.1 m-85 -91.53 173.96 7.62 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.49 0.759 . . . . 0.0 111.018 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . 0.458 HD13 ' CD1' ' A' ' 34' ' ' ILE . 7.4 pt -156.76 148.04 16.79 Favored Pre-proline 0 C--N 1.324 -0.515 0 O-C-N 124.463 1.102 . . . . 0.0 109.324 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.01 155.19 42.87 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.473 1.775 . . . . 0.0 110.97 -179.948 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -99.38 78.32 2.19 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.532 1.145 . . . . 0.0 109.326 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 44.2 t-20 177.38 -41.86 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.505 1.128 . . . . 0.0 109.28 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' HIS . . . . . 0.413 ' O ' ' N ' ' A' ' 13' ' ' ILE . 3.3 m80 -64.23 -19.84 65.64 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.564 1.165 . . . . 0.0 109.614 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 10.0 m . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.517 1.136 . . . . 0.0 109.29 -179.98 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . 0.484 ' HA3' ' CD1' ' A' ' 33' ' ' LEU . . . . . . . . 0 CA--C 1.53 0.971 0 N-CA-C 111.022 -0.831 . . . . 0.0 111.022 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -123.43 107.18 11.31 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.485 0.756 . . . . 0.0 110.3 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . 0.455 ' HG3' ' CD2' ' A' ' 33' ' ' LEU . 0.3 OUTLIER -72.35 122.34 21.01 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.491 1.119 . . . . 0.0 110.279 179.973 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 5.6 m-85 -128.6 169.94 13.82 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.467 1.104 . . . . 0.0 110.999 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . 0.467 ' CG2' ' HE2' ' A' ' 31' ' ' LYS . 1.9 t -127.2 137.47 57.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.494 1.121 . . . . 0.0 109.295 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -71.09 118.34 13.74 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.5 1.125 . . . . 0.0 109.266 -179.946 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . 0.422 ' CG1' ' O ' ' A' ' 58' ' ' HIS . 2.6 pt -71.27 -12.7 16.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.512 1.132 . . . . 0.0 109.313 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -169.74 145.59 3.08 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.516 1.135 . . . . 0.0 109.303 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 2.5 p-10 -55.63 141.27 38.32 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.542 1.151 . . . . 0.0 109.285 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . 0.402 ' HB2' ' CD2' ' A' ' 58' ' ' HIS . 43.2 t80 -129.94 158.4 39.63 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.472 1.107 . . . . 0.0 111.016 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -132.19 114.5 14.55 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.505 1.128 . . . . 0.0 109.281 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -53.89 127.22 25.28 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.457 1.098 . . . . 0.0 109.32 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -83.14 -19.34 36.85 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.458 1.099 . . . . 0.0 110.368 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -126.95 178.86 5.71 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.462 1.101 . . . . 0.0 109.34 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 4.8 pt-20 -92.36 15.76 13.19 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.492 1.12 . . . . 0.0 110.302 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 70.5 p -121.81 10.36 10.24 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.506 1.129 . . . . 0.0 110.381 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . 0.427 ' NE2' ' CH2' ' A' ' 42' ' ' TRP . 70.6 mt-30 -111.85 160.92 16.91 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.516 1.135 . . . . 0.0 110.3 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 32.2 mt -104.75 142.41 34.76 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.526 1.141 . . . . 0.0 109.311 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 13.1 p -114.58 133.94 55.43 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.561 1.163 . . . . 0.0 110.021 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . 0.555 ' CD2' HD13 ' A' ' 32' ' ' ILE . 2.9 p90 -144.26 -178.92 6.2 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.526 1.141 . . . . 0.0 110.962 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -123.66 143.96 49.93 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.494 1.121 . . . . 0.0 109.296 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 7.6 ttt180 -42.15 114.7 0.58 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.509 1.13 . . . . 0.0 110.266 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 116.54 -32.21 5.64 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.47 1.106 . . . . 0.0 111.009 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -48.97 133.15 18.41 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.48 0.753 . . . . 0.0 110.303 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . 0.467 ' HE2' ' CG2' ' A' ' 11' ' ' VAL . 9.6 mmtp -76.91 98.61 4.95 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.505 1.128 . . . . 0.0 109.28 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . 0.555 HD13 ' CD2' ' A' ' 26' ' ' PHE . 5.8 mm -91.89 130.82 40.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.464 1.103 . . . . 0.0 109.296 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.484 ' CD1' ' HA3' ' A' ' 7' ' ' GLY . 0.2 OUTLIER -92.63 127.34 38.09 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.517 1.136 . . . . 0.0 109.321 -179.998 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.587 ' CD1' ' CD1' ' A' ' 54' ' ' ILE . 41.9 mm -100.72 80.35 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.448 1.093 . . . . 0.0 109.306 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.458 ' CD2' ' HB2' ' A' ' 46' ' ' GLU . 5.1 mp -48.13 -67.27 0.29 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.523 1.14 . . . . 0.0 109.297 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 7.5 mmm180 -137.28 174.5 10.54 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.454 1.096 . . . . 0.0 110.325 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . 0.407 ' O ' ' C ' ' A' ' 38' ' ' THR . 15.6 mt-30 -128.44 65.79 1.4 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.562 1.164 . . . . 0.0 110.316 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' THR . . . . . 0.407 ' C ' ' O ' ' A' ' 37' ' ' GLN . 19.6 m -38.44 -40.03 0.52 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.464 1.102 . . . . 0.0 110.436 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 44.7 p -139.52 -178.41 5.38 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.5 1.125 . . . . 0.0 110.394 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -98.64 5.1 47.98 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.536 1.148 . . . . 0.0 109.271 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -118.27 -40.17 2.97 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.511 1.132 . . . . 0.0 109.298 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' TRP . . . . . 0.427 ' CH2' ' NE2' ' A' ' 23' ' ' GLN . 93.5 m95 -120.05 126.76 51.57 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.537 1.148 . . . . 0.0 107.962 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 45.9 m0 -110.74 153.79 24.8 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.55 1.156 . . . . 0.0 108.008 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' TRP . . . . . 0.401 ' HZ3' ' CD2' ' A' ' 53' ' ' TYR . 72.6 t-105 -100.06 105.7 17.38 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.502 1.126 . . . . 0.0 108.01 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -102.83 -165.38 26.04 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.46 1.1 . . . . 0.0 111.009 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . 0.458 ' HB2' ' CD2' ' A' ' 35' ' ' LEU . 19.9 tt0 -162.31 120.71 2.21 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.53 0.782 . . . . 0.0 110.258 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 2.4 mmm180 -92.91 -173.86 3.42 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.484 1.115 . . . . 0.0 110.252 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -60.38 103.5 0.24 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.55 1.156 . . . . 0.0 109.284 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 62.9 7.83 18.7 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.538 1.148 . . . . 0.0 111.055 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' CYS . . . . . 0.411 ' C ' ' SG ' ' A' ' 51' ' ' CYS . 1.2 m -114.86 158.42 21.96 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 108.328 -0.99 . . . . 0.0 108.328 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' CYS . . . . . 0.411 ' SG ' ' C ' ' A' ' 50' ' ' CYS . 4.0 m -148.37 112.8 5.29 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.474 1.109 . . . . 0.0 108.354 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -148.42 -177.95 23.13 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.486 1.116 . . . . 0.0 110.964 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' TYR . . . . . 0.401 ' CD2' ' HZ3' ' A' ' 44' ' ' TRP . 2.5 m-85 -91.68 143.51 26.47 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.462 0.743 . . . . 0.0 111.016 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . 0.587 ' CD1' ' CD1' ' A' ' 34' ' ' ILE . 3.5 pt -126.17 150.56 70.07 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.475 1.11 . . . . 0.0 109.321 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.07 165.48 31.12 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.545 1.813 . . . . 0.0 110.943 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -113.45 81.01 1.44 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.515 1.134 . . . . 0.0 109.331 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 3.1 t30 176.66 -40.45 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.514 1.134 . . . . 0.0 109.326 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' HIS . . . . . 0.422 ' O ' ' CG1' ' A' ' 13' ' ' ILE . 54.2 m80 -68.15 -23.19 64.85 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.506 1.129 . . . . 0.0 109.608 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 13.8 m . . . . . 0 C--N 1.325 -0.493 0 O-C-N 124.529 1.143 . . . . 0.0 109.286 -179.969 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . 0.47 ' HA3' ' CD1' ' A' ' 33' ' ' LEU . . . . . . . . 0 CA--C 1.53 0.981 0 N-CA-C 111.041 -0.824 . . . . 0.0 111.041 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -114.24 127.42 55.87 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.508 0.769 . . . . 0.0 110.288 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -89.47 107.66 19.2 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.521 1.138 . . . . 0.0 110.321 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 12.0 m-85 -106.88 160.44 15.51 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.508 1.13 . . . . 0.0 111.01 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . 0.461 ' CG2' ' HE2' ' A' ' 31' ' ' LYS . 2.3 t -115.09 134.6 57.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.52 1.138 . . . . 0.0 109.278 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -71.67 117.93 13.86 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.535 1.147 . . . . 0.0 109.249 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . 0.421 ' N ' ' O ' ' A' ' 58' ' ' HIS . 2.4 pt -60.26 -16.25 11.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.494 1.121 . . . . 0.0 109.259 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -172.57 156.58 3.66 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.469 1.106 . . . . 0.0 109.295 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -61.27 147.9 42.92 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.505 1.128 . . . . 0.0 109.296 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . 0.571 ' CD1' ' NE2' ' A' ' 58' ' ' HIS . 27.5 t80 -133.38 153.25 51.76 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.465 1.103 . . . . 0.0 111.015 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -126.22 109.71 12.62 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.455 1.097 . . . . 0.0 109.309 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -61.16 124.44 20.55 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.472 1.107 . . . . 0.0 109.261 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 71.7 p -85.45 -22.8 28.12 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.49 1.119 . . . . 0.0 110.429 179.945 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -118.39 -178.04 3.43 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.555 1.159 . . . . 0.0 109.326 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -97.54 16.47 20.26 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.482 1.113 . . . . 0.0 110.297 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 81.0 p -116.82 -5.68 11.53 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 0.0 110.422 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 78.0 mt-30 -102.72 154.16 19.44 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.466 1.104 . . . . 0.0 110.31 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 18.2 mt -104.16 137.15 42.51 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.5 1.125 . . . . 0.0 109.292 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 13.1 p -105.12 137.44 42.88 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 0.0 109.98 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . 0.45 ' CB ' HD12 ' A' ' 32' ' ' ILE . 1.4 p90 -147.54 174.24 11.92 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.527 1.142 . . . . 0.0 110.997 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -114.44 144.16 43.77 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.503 1.127 . . . . 0.0 109.292 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 6.9 ttp180 -42.32 119.58 1.42 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.452 1.095 . . . . 0.0 110.311 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 107.88 -33.64 6.16 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.521 1.138 . . . . 0.0 111.033 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 4.9 mt-10 -42.55 131.36 3.87 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.491 0.759 . . . . 0.0 110.284 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . 0.461 ' HE2' ' CG2' ' A' ' 11' ' ' VAL . 0.0 OUTLIER -78.54 104.29 9.05 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.541 1.151 . . . . 0.0 109.267 -179.988 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . 0.45 HD12 ' CB ' ' A' ' 26' ' ' PHE . 5.0 mm -95.46 134.57 32.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.527 1.142 . . . . 0.0 109.297 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.47 ' CD1' ' HA3' ' A' ' 7' ' ' GLY . 0.1 OUTLIER -92.43 130.63 38.05 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.484 1.115 . . . . 0.0 109.323 179.963 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.601 ' CD1' ' CD1' ' A' ' 54' ' ' ILE . 18.2 mm -107.42 96.59 4.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.56 1.163 . . . . 0.0 109.273 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.485 ' CD2' ' C ' ' A' ' 45' ' ' GLY . 0.9 OUTLIER -69.31 -65.32 0.73 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.444 1.09 . . . . 0.0 109.299 179.998 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -133.22 -177.54 4.57 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.522 1.139 . . . . 0.0 110.292 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . 0.401 ' O ' ' C ' ' A' ' 38' ' ' THR . 78.4 mt-30 -131.02 105.49 7.77 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.473 1.108 . . . . 0.0 110.306 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' THR . . . . . 0.401 ' C ' ' O ' ' A' ' 37' ' ' GLN . 18.9 m -38.59 -66.26 0.29 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.533 1.145 . . . . 0.0 110.43 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 60.6 p -134.05 -51.82 0.84 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.507 1.129 . . . . 0.0 110.442 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . 174.69 -35.56 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.454 1.096 . . . . 0.0 109.33 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -90.44 -33.99 15.78 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.543 1.152 . . . . 0.0 109.296 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 97.3 m95 -108.51 123.55 49.07 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 107.949 -1.13 . . . . 0.0 107.949 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' TRP . . . . . 0.414 ' CE2' ' HB2' ' A' ' 56' ' ' ALA . 46.4 m0 -114.13 150.86 33.48 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.496 1.122 . . . . 0.0 108.012 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' TRP . . . . . 0.403 ' HZ3' ' CE2' ' A' ' 53' ' ' TYR . 73.0 t-105 -100.2 105.83 17.46 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.47 1.106 . . . . 0.0 108.041 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . 0.485 ' C ' ' CD2' ' A' ' 35' ' ' LEU . . . -102.44 -165.14 26.41 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.479 1.112 . . . . 0.0 110.943 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 4.4 tt0 -156.95 120.64 4.22 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.472 0.748 . . . . 0.0 110.258 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . 0.457 ' CZ ' ' HA ' ' A' ' 47' ' ' ARG . 0.9 OUTLIER -90.89 -173.11 3.58 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.514 1.133 . . . . 0.0 110.288 179.976 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -60.83 102.3 0.19 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.538 1.149 . . . . 0.0 109.327 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 61.94 9.74 22.46 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.512 1.133 . . . . 0.0 110.956 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 1.3 m -115.02 164.5 14.07 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 108.314 -0.995 . . . . 0.0 108.314 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 7.5 m -148.91 112.28 4.98 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.531 1.145 . . . . 0.0 108.304 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -148.52 -176.84 22.28 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.472 1.107 . . . . 0.0 110.976 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' TYR . . . . . 0.403 ' CE2' ' HZ3' ' A' ' 44' ' ' TRP . 30.3 m-85 -87.44 169.68 12.02 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.506 0.768 . . . . 0.0 111.005 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . 0.601 ' CD1' ' CD1' ' A' ' 34' ' ' ILE . 3.6 pt -158.11 147.39 14.84 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.487 1.117 . . . . 0.0 109.314 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' PRO . . . . . 0.565 ' HG2' ' CD2' ' A' ' 58' ' ' HIS . 18.3 Cg_endo -75.01 162.09 37.66 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.491 1.784 . . . . 0.0 111.009 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . 0.414 ' HB2' ' CE2' ' A' ' 43' ' ' TRP . . . -101.47 23.24 11.37 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.498 1.124 . . . . 0.0 109.347 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 53.2 m-80 -122.48 -45.84 2.18 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.508 1.13 . . . . 0.0 109.319 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' HIS . . . . . 0.571 ' NE2' ' CD1' ' A' ' 16' ' ' TYR . 4.4 m-70 -55.25 -26.15 37.97 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.515 1.134 . . . . 0.0 109.567 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 13.8 m . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.511 1.132 . . . . 0.0 109.348 179.956 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . 0.476 ' HA3' ' CD1' ' A' ' 33' ' ' LEU . . . . . . . . 0 CA--C 1.53 0.972 0 N-CA-C 111.041 -0.823 . . . . 0.0 111.041 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -122.19 105.86 10.62 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.476 0.751 . . . . 0.0 110.314 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -69.05 122.57 18.98 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.471 1.107 . . . . 0.0 110.34 179.949 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 6.3 m-85 -132.51 165.37 24.49 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.471 1.107 . . . . 0.0 110.971 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . 0.461 ' CG2' ' HE2' ' A' ' 31' ' ' LYS . 2.3 t -121.32 137.25 55.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.508 1.13 . . . . 0.0 109.304 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -71.07 117.92 13.19 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.544 1.153 . . . . 0.0 109.302 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . 0.431 ' N ' ' O ' ' A' ' 58' ' ' HIS . 2.5 pt -61.17 -21.1 23.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 0.0 109.289 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -165.96 150.66 8.3 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.526 1.142 . . . . 0.0 109.3 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -56.18 146.72 22.47 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.54 1.15 . . . . 0.0 109.288 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . 0.681 ' HH ' ' NE2' ' A' ' 23' ' ' GLN . 27.1 t80 -133.86 155.76 49.28 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.518 1.136 . . . . 0.0 110.953 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -129.54 110.54 11.93 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.507 1.129 . . . . 0.0 109.288 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -52.97 120.26 5.63 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.537 1.148 . . . . 0.0 109.353 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -79.36 -22.41 44.45 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.468 1.105 . . . . 0.0 110.412 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -122.22 -178.57 3.91 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.508 1.13 . . . . 0.0 109.32 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 2.1 pt-20 -97.54 18.0 16.42 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.537 1.148 . . . . 0.0 110.301 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 66.9 p -127.34 34.79 4.65 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.49 1.119 . . . . 0.0 110.387 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . 0.681 ' NE2' ' HH ' ' A' ' 16' ' ' TYR . 59.6 mt-30 -137.83 166.93 22.81 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.544 1.153 . . . . 0.0 110.233 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 14.0 mt -106.93 132.58 52.72 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.454 1.096 . . . . 0.0 109.303 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 12.5 p -104.7 129.1 52.94 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.531 1.144 . . . . 0.0 109.998 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . 0.563 ' CD2' HD13 ' A' ' 32' ' ' ILE . 3.2 p90 -139.69 -179.0 5.67 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.5 1.125 . . . . 0.0 111.033 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.4 ' O ' ' C ' ' A' ' 28' ' ' ARG . 0.1 OUTLIER -125.21 144.26 50.54 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.495 1.122 . . . . 0.0 109.3 -179.989 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . 0.4 ' C ' ' O ' ' A' ' 27' ' ' LEU . 3.5 ttp85 -38.76 118.4 0.75 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.504 1.127 . . . . 0.0 110.312 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . 0.425 ' HA2' ' CG1' ' A' ' 11' ' ' VAL . . . 107.7 -37.93 3.58 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.536 1.148 . . . . 0.0 110.953 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 4.6 mt-10 -38.67 129.64 1.45 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.494 0.761 . . . . 0.0 110.316 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . 0.461 ' HE2' ' CG2' ' A' ' 11' ' ' VAL . 26.0 mmtt -75.98 102.62 5.69 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.52 1.137 . . . . 0.0 109.297 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . 0.563 HD13 ' CD2' ' A' ' 26' ' ' PHE . 5.2 mm -94.98 127.16 47.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.557 1.161 . . . . 0.0 109.31 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.476 ' CD1' ' HA3' ' A' ' 7' ' ' GLY . 0.1 OUTLIER -88.59 117.87 27.85 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.467 1.105 . . . . 0.0 109.315 -179.99 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.563 ' CD1' ' CD1' ' A' ' 54' ' ' ILE . 43.0 mm -92.06 83.01 1.87 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.491 1.119 . . . . 0.0 109.309 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.46 ' CD2' ' HB2' ' A' ' 46' ' ' GLU . 5.5 mp -49.44 -68.61 0.16 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.546 1.154 . . . . 0.0 109.265 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 26.5 mtt180 -135.45 173.47 11.68 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.522 1.139 . . . . 0.0 110.314 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . 0.408 ' HG2' ' CE2' ' A' ' 43' ' ' TRP . 5.4 mp0 -131.36 68.42 1.49 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.522 1.139 . . . . 0.0 110.251 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' THR . . . . . 0.4 ' C ' ' O ' ' A' ' 37' ' ' GLN . 82.6 p -38.32 -44.5 0.9 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.5 1.125 . . . . 0.0 110.396 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 29.7 p -131.93 -177.69 4.55 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.533 1.146 . . . . 0.0 110.394 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -97.97 6.52 47.59 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.488 1.117 . . . . 0.0 109.267 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 7.5 m-20 -121.38 -42.06 2.47 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.451 1.094 . . . . 0.0 109.313 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 90.2 m95 -112.17 127.27 55.89 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 108.003 -1.11 . . . . 0.0 108.003 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' TRP . . . . . 0.408 ' CE2' ' HG2' ' A' ' 37' ' ' GLN . 45.0 m0 -113.98 151.86 31.74 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.532 1.145 . . . . 0.0 107.999 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' TRP . . . . . 0.4 ' HZ3' ' CD2' ' A' ' 53' ' ' TYR . 72.6 t-105 -99.91 104.79 16.45 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.499 1.124 . . . . 0.0 108.049 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -104.06 175.37 22.99 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.522 1.139 . . . . 0.0 110.955 -179.927 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . 0.46 ' HB2' ' CD2' ' A' ' 35' ' ' LEU . 21.5 tt0 -146.67 120.78 9.46 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.525 0.78 . . . . 0.0 110.332 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -94.59 -175.35 3.58 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.541 1.15 . . . . 0.0 110.302 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -57.96 103.25 0.13 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.458 1.099 . . . . 0.0 109.29 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 62.56 8.73 21.59 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.529 1.143 . . . . 0.0 111.005 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' CYS . . . . . 0.408 ' C ' ' SG ' ' A' ' 51' ' ' CYS . 1.2 m -114.71 155.0 27.46 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 108.293 -1.003 . . . . 0.0 108.293 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' CYS . . . . . 0.408 ' SG ' ' C ' ' A' ' 50' ' ' CYS . 3.7 m -148.24 111.95 5.07 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.499 1.124 . . . . 0.0 108.27 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -148.76 -176.91 22.53 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.488 1.117 . . . . 0.0 111.029 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' TYR . . . . . 0.4 ' CD2' ' HZ3' ' A' ' 44' ' ' TRP . 1.2 m-85 -94.15 143.99 25.89 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.539 0.787 . . . . 0.0 110.99 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . 0.563 ' CD1' ' CD1' ' A' ' 34' ' ' ILE . 4.7 pt -128.76 149.99 73.67 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.465 1.103 . . . . 0.0 109.29 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 166.64 28.78 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.5 1.79 . . . . 0.0 111.008 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -109.75 81.9 1.51 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.504 1.128 . . . . 0.0 109.328 180.0 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 27.6 t30 175.42 -41.48 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.453 1.096 . . . . 0.0 109.29 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' HIS . . . . . 0.431 ' O ' ' N ' ' A' ' 13' ' ' ILE . 12.5 m-70 -65.01 -22.68 67.03 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.527 1.142 . . . . 0.0 109.577 -179.922 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 14.5 m . . . . . 0 C--N 1.325 -0.464 0 O-C-N 124.541 1.151 . . . . 0.0 109.317 179.977 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . 0.465 ' HA3' ' CD1' ' A' ' 33' ' ' LEU . . . . . . . . 0 CA--C 1.53 0.995 0 N-CA-C 110.973 -0.851 . . . . 0.0 110.973 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 23.3 mt-10 -114.02 127.65 56.04 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.482 0.754 . . . . 0.0 110.28 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -87.66 109.35 19.61 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.477 1.111 . . . . 0.0 110.34 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 13.8 m-85 -110.7 161.18 16.01 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.506 1.129 . . . . 0.0 110.971 -179.95 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 2.3 t -119.49 136.49 56.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.471 1.107 . . . . 0.0 109.275 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -72.82 117.87 15.07 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.464 1.103 . . . . 0.0 109.29 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . 0.44 ' N ' ' O ' ' A' ' 58' ' ' HIS . 3.1 pt -61.17 -15.71 12.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.523 1.139 . . . . 0.0 109.276 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -170.13 152.18 4.16 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.514 1.134 . . . . 0.0 109.288 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -55.8 148.25 17.15 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.512 1.133 . . . . 0.0 109.273 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . 0.448 ' HB3' ' CE1' ' A' ' 26' ' ' PHE . 26.7 t80 -130.17 161.62 30.71 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.493 1.121 . . . . 0.0 111.07 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . 0.404 ' N ' ' CG ' ' A' ' 16' ' ' TYR . . . -135.76 107.65 7.1 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.532 1.145 . . . . 0.0 109.294 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -52.93 119.04 4.18 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.532 1.145 . . . . 0.0 109.304 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -78.01 -26.47 48.52 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.509 1.131 . . . . 0.0 110.407 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 1.3 t0 -118.32 -175.82 2.94 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.574 1.172 . . . . 0.0 109.302 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -100.22 17.97 19.95 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.527 1.142 . . . . 0.0 110.342 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 75.6 p -123.14 7.47 9.17 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.485 1.115 . . . . 0.0 110.389 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 64.8 mt-30 -108.26 166.83 10.46 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.476 1.11 . . . . 0.0 110.289 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.402 ' HB2' ' CG2' ' A' ' 54' ' ' ILE . 14.5 mt -111.74 126.94 55.59 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.531 1.144 . . . . 0.0 109.322 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 56.5 p -97.72 137.78 36.09 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.515 1.134 . . . . 0.0 110.023 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . 0.448 ' CE1' ' HB3' ' A' ' 16' ' ' TYR . 1.5 p90 -147.5 173.19 12.9 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.548 1.155 . . . . 0.0 111.032 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -116.75 143.3 45.83 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.5 1.125 . . . . 0.0 109.25 -179.95 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 4.1 ttp180 -40.1 120.12 1.13 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.464 1.103 . . . . 0.0 110.313 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 107.51 -31.65 7.87 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.465 1.103 . . . . 0.0 110.999 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 4.4 mt-10 -43.94 128.24 5.57 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.516 0.774 . . . . 0.0 110.283 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 10.2 mmtp -76.6 99.11 4.89 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.539 1.149 . . . . 0.0 109.352 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . 0.445 HD11 ' CB ' ' A' ' 26' ' ' PHE . 5.4 mm -90.65 146.22 6.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.461 1.101 . . . . 0.0 109.33 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.465 ' CD1' ' HA3' ' A' ' 7' ' ' GLY . 0.1 OUTLIER -108.36 127.07 53.56 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.473 1.108 . . . . 0.0 109.35 179.944 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.538 ' CD1' ' CD1' ' A' ' 54' ' ' ILE . 22.3 mm -103.31 104.67 16.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.517 1.136 . . . . 0.0 109.297 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.465 HD21 ' CB ' ' A' ' 46' ' ' GLU . 2.7 mm? -76.6 -66.63 0.79 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.547 1.154 . . . . 0.0 109.336 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 3.7 mtt-85 -127.24 166.38 17.87 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.515 1.134 . . . . 0.0 110.293 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . 0.438 ' O ' ' N ' ' A' ' 39' ' ' THR . 56.2 mt-30 -102.36 -31.65 10.39 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.457 1.098 . . . . 0.0 110.321 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 26.5 m 66.31 -70.52 0.1 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.508 1.13 . . . . 0.0 110.427 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' THR . . . . . 0.438 ' N ' ' O ' ' A' ' 37' ' ' GLN . 2.4 p -115.56 -80.58 0.6 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.449 1.093 . . . . 0.0 110.365 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . 0.428 ' O ' ' NE1' ' A' ' 43' ' ' TRP . . . 176.55 -45.57 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.505 1.128 . . . . 0.0 109.291 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -80.89 -32.27 34.91 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.516 1.135 . . . . 0.0 109.305 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' TRP . . . . . 0.407 ' O ' ' O ' ' A' ' 37' ' ' GLN . 88.2 m95 -112.68 123.36 50.12 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.479 1.112 . . . . 0.0 108.019 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' TRP . . . . . 0.428 ' NE1' ' O ' ' A' ' 40' ' ' ALA . 47.4 m0 -113.05 161.71 16.75 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.503 1.127 . . . . 0.0 108.024 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 67.0 t-105 -111.67 114.52 27.59 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 107.955 -1.128 . . . . 0.0 107.955 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -111.06 -169.81 19.12 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.515 1.134 . . . . 0.0 111.027 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . 0.465 ' CB ' HD21 ' A' ' 35' ' ' LEU . 43.2 tt0 -150.25 120.76 7.42 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.502 0.766 . . . . 0.0 110.351 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -92.36 -172.89 3.24 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.496 1.123 . . . . 0.0 110.326 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -63.15 102.79 0.41 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.451 1.094 . . . . 0.0 109.337 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 62.54 8.4 19.79 Favored Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.516 1.135 . . . . 0.0 111.03 -179.932 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 1.3 m -115.06 161.78 17.89 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 108.307 -0.998 . . . . 0.0 108.307 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 11.8 p -148.69 112.22 5.03 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.435 1.084 . . . . 0.0 108.288 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -148.47 -176.89 22.28 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.496 1.122 . . . . 0.0 111.039 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 14.5 m-85 -91.14 160.51 15.53 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.518 0.775 . . . . 0.0 110.999 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . 0.538 ' CD1' ' CD1' ' A' ' 34' ' ' ILE . 4.8 pt -143.55 146.63 36.24 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 0.0 109.302 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 164.26 33.72 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.481 1.78 . . . . 0.0 111.011 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -110.59 82.47 1.6 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.514 1.134 . . . . 0.0 109.29 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 47.5 t30 177.14 -39.31 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.491 1.119 . . . . 0.0 109.323 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' HIS . . . . . 0.44 ' O ' ' N ' ' A' ' 13' ' ' ILE . 9.9 m-70 -67.69 -26.06 65.99 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.504 1.127 . . . . 0.0 109.584 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 11.2 m . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.504 1.128 . . . . 0.0 109.307 179.981 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . 0.475 ' HA3' ' CD1' ' A' ' 33' ' ' LEU . . . . . . . . 0 CA--C 1.53 0.97 0 N-CA-C 111.019 -0.832 . . . . 0.0 111.019 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 -122.85 117.43 25.61 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.515 0.773 . . . . 0.0 110.328 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . 0.464 ' HG3' ' CD2' ' A' ' 33' ' ' LEU . 0.1 OUTLIER -76.84 108.19 9.69 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.513 1.133 . . . . 0.0 110.297 -179.997 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 10.3 m-85 -112.1 162.06 15.83 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.532 1.145 . . . . 0.0 111.033 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 2.4 t -122.53 138.14 53.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.523 1.139 . . . . 0.0 109.311 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -70.96 117.92 13.07 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.486 1.116 . . . . 0.0 109.33 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 3.0 pt -67.29 -14.14 17.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.472 1.108 . . . . 0.0 109.311 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -165.82 145.95 6.55 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.49 1.119 . . . . 0.0 109.314 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . 0.439 ' N ' ' OD1' ' A' ' 15' ' ' ASP . 0.1 OUTLIER -64.49 136.69 57.31 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.512 1.132 . . . . 0.0 109.296 -179.981 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 33.0 t80 -124.44 158.55 32.54 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.514 1.134 . . . . 0.0 111.023 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -125.11 112.8 16.92 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.515 1.135 . . . . 0.0 109.273 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -54.72 114.56 1.75 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.493 1.121 . . . . 0.0 109.337 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 16.3 p -102.48 5.19 39.38 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.128 . . . . 0.0 110.39 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 3.0 t0 -127.73 178.75 5.93 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.515 1.134 . . . . 0.0 109.265 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -100.77 5.75 43.67 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.503 1.127 . . . . 0.0 110.317 179.954 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 52.8 p -133.83 49.07 2.3 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.458 1.099 . . . . 0.0 110.423 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 91.2 mt-30 -145.1 167.27 23.13 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.49 1.119 . . . . 0.0 110.273 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 16.1 mt -114.77 144.48 43.41 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.438 1.087 . . . . 0.0 109.268 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 12.9 p -112.27 129.13 56.38 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.489 1.118 . . . . 0.0 110.011 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . 0.459 ' CB ' HD12 ' A' ' 32' ' ' ILE . 2.5 p90 -139.47 179.7 6.39 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.486 1.116 . . . . 0.0 111.041 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -124.15 144.96 49.6 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.516 1.135 . . . . 0.0 109.312 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . 0.438 ' CB ' ' OD1' ' A' ' 15' ' ' ASP . 3.5 ttt180 -43.65 113.17 0.47 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.514 1.134 . . . . 0.0 110.315 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 115.39 -29.11 7.48 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.525 1.14 . . . . 0.0 110.965 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -49.51 130.52 20.37 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.512 0.772 . . . . 0.0 110.295 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 9.3 mmtt -76.48 101.88 5.79 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.503 1.127 . . . . 0.0 109.328 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . 0.459 HD12 ' CB ' ' A' ' 26' ' ' PHE . 5.2 mm -93.25 140.36 16.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.504 1.128 . . . . 0.0 109.286 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.475 ' CD1' ' HA3' ' A' ' 7' ' ' GLY . 0.2 OUTLIER -105.33 121.54 44.09 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.464 1.102 . . . . 0.0 109.287 179.984 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.58 ' CD1' ' CD1' ' A' ' 54' ' ' ILE . 36.6 mm -98.24 105.5 17.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.421 1.076 . . . . 0.0 109.294 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.469 HD22 ' CB ' ' A' ' 46' ' ' GLU . 2.8 mm? -75.46 -68.42 0.56 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.486 1.116 . . . . 0.0 109.312 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 4.0 mmt180 -123.64 167.23 14.23 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.524 1.14 . . . . 0.0 110.303 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . 0.437 ' O ' ' N ' ' A' ' 39' ' ' THR . 87.8 mt-30 -99.96 -30.12 12.18 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.463 1.102 . . . . 0.0 110.312 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 4.9 m 67.64 -67.53 0.18 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.517 1.136 . . . . 0.0 110.364 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' THR . . . . . 0.437 ' N ' ' O ' ' A' ' 37' ' ' GLN . 27.5 p -124.8 -79.62 0.61 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.538 1.149 . . . . 0.0 110.387 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . 178.18 -37.16 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.431 1.082 . . . . 0.0 109.342 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . 0.434 ' O ' ' N ' ' A' ' 56' ' ' ALA . 9.3 m-20 -89.05 -37.39 15.17 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.531 1.145 . . . . 0.0 109.301 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 94.8 m95 -108.28 123.12 48.31 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.527 1.142 . . . . 0.0 107.998 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 44.5 m0 -112.93 161.93 16.43 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 107.988 -1.116 . . . . 0.0 107.988 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' TRP . . . . . 0.428 ' CZ3' ' CD2' ' A' ' 53' ' ' TYR . 68.2 t-105 -111.94 115.7 29.4 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.47 1.106 . . . . 0.0 108.025 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -112.47 -172.21 18.71 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.494 1.121 . . . . 0.0 110.954 -179.928 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . 0.469 ' CB ' HD22 ' A' ' 35' ' ' LEU . 46.2 tt0 -148.35 120.6 8.37 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.488 0.758 . . . . 0.0 110.331 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 4.3 mmm180 -92.59 -174.11 3.56 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.437 1.086 . . . . 0.0 110.343 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -62.07 103.04 0.33 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.513 1.133 . . . . 0.0 109.315 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 62.59 8.36 19.86 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.537 1.148 . . . . 0.0 110.988 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 1.2 m -114.85 162.18 17.24 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 108.306 -0.998 . . . . 0.0 108.306 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 12.8 p -148.51 111.8 4.95 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.534 1.146 . . . . 0.0 108.315 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -148.59 -176.86 22.35 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.499 1.125 . . . . 0.0 110.987 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' TYR . . . . . 0.428 ' CD2' ' CZ3' ' A' ' 44' ' ' TRP . 26.8 m-85 -90.93 174.07 7.63 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.506 0.768 . . . . 0.0 111.008 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . 0.58 ' CD1' ' CD1' ' A' ' 34' ' ' ILE . 3.7 pt -158.14 146.18 13.91 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.475 1.109 . . . . 0.0 109.321 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.05 159.71 40.86 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.507 1.793 . . . . 0.0 110.995 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . 0.434 ' N ' ' O ' ' A' ' 41' ' ' ASP . . . -103.44 81.47 1.93 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.512 1.133 . . . . 0.0 109.261 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 40.4 t-20 178.01 -45.3 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.537 1.148 . . . . 0.0 109.273 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 1.8 m-70 -61.66 -27.46 68.69 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.526 1.141 . . . . 0.0 109.625 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 18.1 m . . . . . 0 C--N 1.324 -0.515 0 O-C-N 124.516 1.135 . . . . 0.0 109.32 179.961 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . 0.471 ' HA3' ' CD1' ' A' ' 33' ' ' LEU . . . . . . . . 0 CA--C 1.53 1.002 0 N-CA-C 110.991 -0.844 . . . . 0.0 110.991 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 7.0 mt-10 -124.45 117.21 23.9 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.527 0.781 . . . . 0.0 110.327 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -80.67 115.02 19.96 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.517 1.136 . . . . 0.0 110.284 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 6.3 m-85 -119.04 159.35 24.07 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.451 1.094 . . . . 0.0 110.978 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 2.2 t -116.63 133.85 61.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.452 1.095 . . . . 0.0 109.296 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -70.97 117.73 12.84 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.459 1.1 . . . . 0.0 109.292 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 2.8 pt -61.38 -16.27 14.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.494 1.121 . . . . 0.0 109.289 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -167.83 158.51 10.87 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.533 1.146 . . . . 0.0 109.321 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 7.7 p-10 -63.39 140.2 58.85 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.544 1.153 . . . . 0.0 109.3 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . 0.539 ' HB3' ' CE1' ' A' ' 26' ' ' PHE . 26.4 t80 -130.73 149.78 52.22 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.513 1.133 . . . . 0.0 110.994 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -127.5 116.9 21.11 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.505 1.128 . . . . 0.0 109.256 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -53.53 124.48 15.06 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.476 1.11 . . . . 0.0 109.3 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -82.92 -25.95 31.92 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.53 1.144 . . . . 0.0 110.382 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -122.16 -179.47 4.18 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.511 1.132 . . . . 0.0 109.293 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -90.84 16.86 8.57 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.485 1.116 . . . . 0.0 110.31 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 79.6 p -125.86 28.64 6.1 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.516 1.135 . . . . 0.0 110.394 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 63.7 mt-30 -135.51 164.05 28.68 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.47 1.106 . . . . 0.0 110.303 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 16.8 mt -110.58 139.01 46.24 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.467 1.105 . . . . 0.0 109.287 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -108.77 128.81 55.21 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.485 1.116 . . . . 0.0 109.993 -179.953 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . 0.539 ' CE1' ' HB3' ' A' ' 16' ' ' TYR . 2.6 p90 -137.66 179.91 6.14 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.465 1.103 . . . . 0.0 111.018 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -120.98 142.78 49.46 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.549 1.156 . . . . 0.0 109.264 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 6.3 ttp180 -39.03 118.73 0.81 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.487 1.117 . . . . 0.0 110.297 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 108.34 -34.97 5.26 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.542 1.151 . . . . 0.0 110.984 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 -38.85 134.45 0.98 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.524 0.779 . . . . 0.0 110.277 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 7.1 mmtt -79.92 102.42 9.17 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.507 1.13 . . . . 0.0 109.279 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . 0.461 HD11 ' CB ' ' A' ' 26' ' ' PHE . 4.4 mm -94.09 135.82 27.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.461 1.1 . . . . 0.0 109.294 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.471 ' CD1' ' HA3' ' A' ' 7' ' ' GLY . 0.1 OUTLIER -102.39 117.84 35.6 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.499 1.124 . . . . 0.0 109.263 -179.958 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.457 ' CD1' ' CD1' ' A' ' 54' ' ' ILE . 15.7 mm -92.31 108.07 19.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.465 1.103 . . . . 0.0 109.289 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.473 HD23 ' CB ' ' A' ' 46' ' ' GLU . 2.6 mm? -78.69 -68.05 0.69 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.546 1.154 . . . . 0.0 109.297 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 28.0 mtt-85 -122.41 173.17 7.82 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.531 1.145 . . . . 0.0 110.286 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . 0.426 ' O ' ' N ' ' A' ' 39' ' ' THR . 55.8 mt-30 -104.75 -30.25 10.03 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.488 1.118 . . . . 0.0 110.312 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 7.8 m 67.41 -68.32 0.16 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.475 1.11 . . . . 0.0 110.37 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' THR . . . . . 0.426 ' N ' ' O ' ' A' ' 37' ' ' GLN . 33.5 p -126.12 -74.87 0.59 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.508 1.13 . . . . 0.0 110.428 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . 173.09 -34.78 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.434 1.084 . . . . 0.0 109.295 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -90.82 -34.52 15.26 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.518 1.136 . . . . 0.0 109.257 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' TRP . . . . . 0.4 ' O ' ' O ' ' A' ' 37' ' ' GLN . 95.6 m95 -111.94 122.95 49.17 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 107.98 -1.118 . . . . 0.0 107.98 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 44.8 m0 -113.71 157.16 22.55 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.548 1.155 . . . . 0.0 107.957 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' TRP . . . . . 0.406 ' CE3' ' CD2' ' A' ' 53' ' ' TYR . 68.2 t-105 -106.36 116.57 32.15 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 107.99 -1.115 . . . . 0.0 107.99 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -113.85 -176.49 19.2 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.468 1.105 . . . . 0.0 110.986 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . 0.473 ' CB ' HD23 ' A' ' 35' ' ' LEU . 31.1 tt0 -147.97 120.88 8.74 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.52 0.776 . . . . 0.0 110.306 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -95.72 -175.18 3.36 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.555 1.159 . . . . 0.0 110.291 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -58.26 103.09 0.13 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.466 1.103 . . . . 0.0 109.297 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 62.13 8.83 19.2 Favored Glycine 0 CA--C 1.529 0.945 0 O-C-N 124.486 1.117 . . . . 0.0 110.995 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 1.2 m -114.76 157.25 23.47 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 108.284 -1.006 . . . . 0.0 108.284 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 17.6 p -148.25 110.63 4.66 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.445 1.091 . . . . 0.0 108.268 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -148.95 -176.9 22.66 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.501 1.125 . . . . 0.0 111.032 179.93 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' TYR . . . . . 0.406 ' CD2' ' CE3' ' A' ' 44' ' ' TRP . 23.2 m-85 -90.67 171.8 9.11 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.51 0.77 . . . . 0.0 110.92 -179.944 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . 0.457 ' CD1' ' CD1' ' A' ' 34' ' ' ILE . 3.1 pt -156.28 149.4 18.52 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.507 1.13 . . . . 0.0 109.348 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 168.91 23.78 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.479 1.779 . . . . 0.0 111.002 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -112.77 85.49 2.18 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.506 1.129 . . . . 0.0 109.305 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER 167.41 -35.93 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.524 1.14 . . . . 0.0 109.333 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 5.0 m80 -70.63 -16.67 62.85 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.523 1.139 . . . . 0.0 109.566 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 9.3 m . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.526 1.141 . . . . 0.0 109.247 -179.958 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.039 0 N-CA-C 110.991 -0.844 . . . . 0.0 110.991 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 15.6 p -140.31 94.62 2.76 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.509 0.77 . . . . 0.0 109.987 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 26.9 p -100.87 142.52 32.22 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.462 1.101 . . . . 0.0 109.976 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -80.11 150.39 32.09 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.451 1.095 . . . . 0.0 110.985 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.0 m -129.11 85.86 2.37 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.505 0.767 . . . . 0.0 109.989 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 67.5 m 64.18 108.99 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.525 1.141 . . . . 0.0 110.004 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . 0.467 ' HA3' ' CD1' ' A' ' 33' ' ' LEU . . . -162.35 170.54 37.98 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.479 1.112 . . . . 0.0 110.998 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -117.59 116.93 28.07 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.477 0.751 . . . . 0.0 110.354 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -83.54 124.14 30.45 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.492 1.12 . . . . 0.0 110.283 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 8.9 m-85 -133.9 167.86 19.82 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.446 1.091 . . . . 0.0 110.984 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 2.5 t -123.51 138.13 54.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.465 1.103 . . . . 0.0 109.317 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . 0.478 ' HB2' ' CD1' ' A' ' 26' ' ' PHE . . . -72.44 118.89 15.9 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.452 1.095 . . . . 0.0 109.346 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 3.5 pt -70.92 -7.31 8.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.489 1.118 . . . . 0.0 109.275 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -173.69 141.22 0.83 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.491 1.119 . . . . 0.0 109.279 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 8.9 p-10 -57.34 135.22 56.5 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.444 1.09 . . . . 0.0 109.287 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . 0.444 ' OH ' ' NE2' ' A' ' 23' ' ' GLN . 44.9 t80 -125.65 161.03 28.17 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.494 1.121 . . . . 0.0 110.954 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -134.44 111.99 10.58 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.463 1.102 . . . . 0.0 109.283 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . 0.405 ' CB ' ' HB2' ' A' ' 23' ' ' GLN . . . -52.95 127.01 22.29 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.519 1.137 . . . . 0.0 109.309 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -86.58 -22.1 26.46 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.466 1.104 . . . . 0.0 110.419 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -119.54 175.58 5.78 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.486 1.116 . . . . 0.0 109.311 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -90.76 18.01 7.0 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.476 1.11 . . . . 0.0 110.268 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 73.2 p -125.01 14.34 8.47 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.474 1.109 . . . . 0.0 110.399 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . 0.444 ' NE2' ' OH ' ' A' ' 16' ' ' TYR . 75.1 mt-30 -119.29 160.48 22.14 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.446 1.091 . . . . 0.0 110.352 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.407 HD11 ' N ' ' A' ' 47' ' ' ARG . 30.8 mt -106.98 139.42 41.41 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.517 1.136 . . . . 0.0 109.321 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' SER . . . . . 0.404 ' O ' ' NH1' ' A' ' 47' ' ' ARG . 5.3 m -110.27 129.56 55.71 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.492 1.12 . . . . 0.0 109.995 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . 0.523 ' CD2' HD11 ' A' ' 32' ' ' ILE . 3.1 p90 -141.0 175.57 9.51 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.524 1.14 . . . . 0.0 111.018 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -117.66 143.1 46.49 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.507 1.13 . . . . 0.0 109.346 179.938 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 8.1 ttt180 -41.15 122.32 1.78 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.475 1.11 . . . . 0.0 110.312 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 105.79 -31.5 8.36 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.45 1.094 . . . . 0.0 110.989 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 7.7 mt-10 -47.52 133.32 13.16 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.506 0.768 . . . . 0.0 110.307 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 14.7 mmtp -77.16 99.11 5.29 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.492 1.12 . . . . 0.0 109.287 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.523 HD11 ' CD2' ' A' ' 26' ' ' PHE . 5.1 mm -92.42 133.84 32.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.483 1.114 . . . . 0.0 109.329 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.467 ' CD1' ' HA3' ' A' ' 7' ' ' GLY . 0.1 OUTLIER -95.68 117.9 31.36 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.459 1.099 . . . . 0.0 109.331 179.984 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.547 ' CD1' ' CD1' ' A' ' 54' ' ' ILE . 37.0 mm -92.19 77.58 1.26 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.499 1.124 . . . . 0.0 109.347 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.468 ' CD2' ' HB2' ' A' ' 46' ' ' GLU . 7.8 mp -46.02 -67.54 0.27 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.471 1.107 . . . . 0.0 109.333 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -129.52 156.37 44.27 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.529 1.143 . . . . 0.0 110.313 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . 0.42 ' O ' ' N ' ' A' ' 39' ' ' THR . 68.5 mt-30 -95.19 -52.91 3.99 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.439 1.087 . . . . 0.0 110.309 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 53.5 m 67.53 -67.67 0.17 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.443 1.089 . . . . 0.0 110.404 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' THR . . . . . 0.42 ' N ' ' O ' ' A' ' 37' ' ' GLN . 1.1 p -120.23 162.38 19.48 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.531 1.144 . . . . 0.0 110.401 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -88.45 7.39 33.03 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.424 1.078 . . . . 0.0 109.331 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -121.95 -42.28 2.4 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.492 1.12 . . . . 0.0 109.312 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 78.0 m95 -115.95 127.95 55.37 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.542 1.151 . . . . 0.0 107.999 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 45.3 m0 -113.71 157.6 21.99 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.534 1.146 . . . . 0.0 107.993 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' TRP . . . . . 0.485 ' CE3' ' CE2' ' A' ' 53' ' ' TYR . 41.5 t-105 -104.79 108.75 20.4 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.52 1.138 . . . . 0.0 108.021 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -105.02 174.72 21.68 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.512 1.133 . . . . 0.0 110.979 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . 0.468 ' HB2' ' CD2' ' A' ' 35' ' ' LEU . 30.6 tt0 -142.6 120.56 12.05 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.488 0.757 . . . . 0.0 110.266 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . 0.407 ' N ' HD11 ' A' ' 24' ' ' LEU . 5.8 mmm-85 -91.62 -173.06 3.43 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.479 1.112 . . . . 0.0 110.282 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -63.7 103.4 0.55 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 0.0 109.337 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 62.49 9.37 24.27 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.498 1.124 . . . . 0.0 111.002 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 1.2 m -114.45 162.97 15.98 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 108.296 -1.001 . . . . 0.0 108.296 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 11.8 p -148.55 112.87 5.27 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.522 1.139 . . . . 0.0 108.291 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -148.08 -178.7 23.47 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.477 1.11 . . . . 0.0 110.972 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' TYR . . . . . 0.485 ' CE2' ' CE3' ' A' ' 44' ' ' TRP . 4.2 m-85 -98.15 149.22 22.76 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.502 0.766 . . . . 0.0 111.012 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . 0.547 ' CD1' ' CD1' ' A' ' 34' ' ' ILE . 4.7 pt -131.6 150.05 75.22 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.529 1.143 . . . . 0.0 109.27 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.09 169.21 23.08 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.475 1.776 . . . . 0.0 111.012 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -113.33 85.63 2.23 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.535 1.147 . . . . 0.0 109.257 -179.925 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER 172.57 -39.23 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.503 1.127 . . . . 0.0 109.321 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 7.0 m80 -69.86 -25.58 63.79 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.543 1.152 . . . . 0.0 109.6 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 15.8 m -113.05 149.77 15.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.458 1.099 . . . . 0.0 109.286 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 173.77 -155.59 22.25 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.469 1.106 . . . . 0.0 111.006 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 58.83 -179.56 0.08 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.514 0.773 . . . . 0.0 109.313 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 33.9 m80 -141.81 165.99 25.96 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.538 1.149 . . . . 0.0 109.561 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 40.1 t -97.18 147.65 23.87 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.501 1.125 . . . . 0.0 110.023 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 178.2 -145.52 6.99 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.528 1.142 . . . . 0.0 111.017 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 153.95 42.21 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.515 1.798 . . . . 0.0 111.033 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 83.7 p 50.71 87.28 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.512 1.132 . . . . 0.0 110.033 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 2.1 p -112.56 -0.41 15.2 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.484 1.115 . . . . 0.0 110.007 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.022 0 O-C-N 124.468 1.105 . . . . 0.0 110.969 -179.997 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.988 0 N-CA-C 111.013 -0.835 . . . . 0.0 111.013 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 9.7 m 60.13 153.55 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.475 0.75 . . . . 0.0 110.011 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 58.37 166.18 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.457 1.098 . . . . 0.0 110.002 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 122.52 -98.05 0.61 Allowed Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.44 1.088 . . . . 0.0 111.022 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 16.0 m -122.01 120.36 34.15 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.523 0.778 . . . . 0.0 110.039 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -144.42 -50.81 0.29 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.459 1.099 . . . . 0.0 110.025 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . 0.47 ' HA3' ' CD1' ' A' ' 33' ' ' LEU . . . 77.57 167.44 29.08 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.49 1.119 . . . . 0.0 110.983 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -114.52 111.94 22.17 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.52 0.776 . . . . 0.0 110.299 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . 0.413 ' HG2' ' CD2' ' A' ' 33' ' ' LEU . 0.0 OUTLIER -76.75 128.09 33.99 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.472 1.107 . . . . 0.0 110.328 -179.998 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 7.0 m-85 -137.64 164.18 29.43 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.529 1.143 . . . . 0.0 110.938 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 2.2 t -123.08 139.97 48.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.487 1.117 . . . . 0.0 109.291 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -71.68 118.37 14.44 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.448 1.093 . . . . 0.0 109.31 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 2.9 pt -67.25 -19.96 26.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.482 1.114 . . . . 0.0 109.231 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -162.12 146.02 12.16 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.479 1.112 . . . . 0.0 109.328 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 2.5 p-10 -55.88 140.54 42.31 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.51 1.131 . . . . 0.0 109.283 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 33.9 t80 -132.13 159.67 38.26 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.537 1.148 . . . . 0.0 110.979 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -136.77 115.34 11.96 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.505 1.128 . . . . 0.0 109.296 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -52.94 130.52 33.78 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.52 1.138 . . . . 0.0 109.311 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -93.17 -17.89 23.2 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.511 1.132 . . . . 0.0 110.376 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 90.2 m-20 -127.85 174.95 8.71 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.492 1.12 . . . . 0.0 109.33 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 30.9 tt0 -85.75 12.0 9.88 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.434 1.084 . . . . 0.0 110.252 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 68.3 p -124.17 46.44 2.27 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.525 1.141 . . . . 0.0 110.397 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 51.7 mt-30 -155.56 157.44 36.84 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.44 1.087 . . . . 0.0 110.301 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 81.6 mt -103.9 146.11 29.14 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.546 1.154 . . . . 0.0 109.323 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 12.5 p -114.52 131.37 56.67 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 0.0 109.966 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . 0.528 ' CD2' HD11 ' A' ' 32' ' ' ILE . 2.2 p90 -141.29 -179.0 5.87 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.479 1.112 . . . . 0.0 111.021 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -126.64 144.94 50.75 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.482 1.114 . . . . 0.0 109.306 179.949 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 8.6 ttt180 -39.39 123.57 1.46 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.481 1.113 . . . . 0.0 110.263 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 104.31 -32.66 7.29 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.487 1.117 . . . . 0.0 111.035 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 4.9 mt-10 -46.17 131.55 10.16 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.509 0.77 . . . . 0.0 110.304 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 11.4 mmtp -76.78 102.96 6.48 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.501 1.126 . . . . 0.0 109.308 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.528 HD11 ' CD2' ' A' ' 26' ' ' PHE . 5.0 mm -97.9 137.46 25.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.472 1.107 . . . . 0.0 109.357 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.47 ' CD1' ' HA3' ' A' ' 7' ' ' GLY . 0.2 OUTLIER -99.89 133.64 43.96 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.457 1.098 . . . . 0.0 109.232 -179.934 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.551 ' CD1' ' CD1' ' A' ' 54' ' ' ILE . 14.3 mm -106.28 79.75 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.487 1.117 . . . . 0.0 109.314 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.461 ' CD2' ' HB2' ' A' ' 46' ' ' GLU . 5.8 mp -48.13 -67.13 0.3 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.466 1.104 . . . . 0.0 109.274 -179.946 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -135.47 172.22 13.33 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.493 1.12 . . . . 0.0 110.274 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . 0.438 ' O ' ' N ' ' A' ' 39' ' ' THR . 73.4 mt-30 -99.76 -38.18 8.79 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.531 1.144 . . . . 0.0 110.296 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 2.7 m 68.97 -62.17 0.4 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.508 1.13 . . . . 0.0 110.403 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' THR . . . . . 0.438 ' N ' ' O ' ' A' ' 37' ' ' GLN . 1.3 p -122.58 -93.19 0.52 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.514 1.134 . . . . 0.0 110.361 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . 0.436 ' O ' ' NE1' ' A' ' 43' ' ' TRP . . . -169.99 -55.57 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.482 1.113 . . . . 0.0 109.315 -179.939 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -73.75 -34.54 64.78 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.531 1.144 . . . . 0.0 109.31 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 93.6 m95 -108.65 127.01 53.59 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.551 1.157 . . . . 0.0 107.996 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' TRP . . . . . 0.436 ' NE1' ' O ' ' A' ' 40' ' ' ALA . 45.3 m0 -114.82 152.66 31.8 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 107.97 -1.122 . . . . 0.0 107.97 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' TRP . . . . . 0.517 ' CE3' ' CE2' ' A' ' 53' ' ' TYR . 64.6 t-105 -100.23 104.91 16.44 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.504 1.128 . . . . 0.0 107.988 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -100.75 -172.67 29.2 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.526 1.141 . . . . 0.0 110.987 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . 0.461 ' HB2' ' CD2' ' A' ' 35' ' ' LEU . 19.1 tt0 -153.81 120.56 5.6 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.516 0.774 . . . . 0.0 110.312 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 2.5 mmm180 -92.24 -175.93 4.2 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.461 1.1 . . . . 0.0 110.307 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -59.42 103.59 0.2 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.481 1.113 . . . . 0.0 109.262 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 62.91 8.31 21.47 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.494 1.122 . . . . 0.0 110.947 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -114.79 161.53 18.07 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 108.259 -1.015 . . . . 0.0 108.259 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 11.5 m -148.74 112.81 5.19 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.526 1.141 . . . . 0.0 108.259 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -148.33 -176.92 22.2 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.483 1.115 . . . . 0.0 111.017 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' TYR . . . . . 0.517 ' CE2' ' CE3' ' A' ' 44' ' ' TRP . 2.4 m-85 -95.19 150.97 19.63 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.573 0.808 . . . . 0.0 110.944 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . 0.551 ' CD1' ' CD1' ' A' ' 34' ' ' ILE . 3.8 pt -133.34 151.94 78.45 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.496 1.122 . . . . 0.0 109.307 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 170.63 19.98 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.514 1.797 . . . . 0.0 110.971 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -114.56 86.69 2.48 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.513 1.133 . . . . 0.0 109.291 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER 164.72 -41.18 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.438 1.086 . . . . 0.0 109.316 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 24.0 m-70 -65.02 -27.57 68.9 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.471 1.107 . . . . 0.0 109.629 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 16.1 m -102.67 151.43 6.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.512 1.132 . . . . 0.0 109.297 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 165.21 136.99 2.1 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.476 1.11 . . . . 0.0 110.958 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -42.77 144.39 0.58 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.502 0.766 . . . . 0.0 109.348 179.941 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 6.3 t-80 -162.32 139.69 8.3 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.517 1.136 . . . . 0.0 109.601 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 4.6 t -76.22 137.48 40.02 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.515 1.134 . . . . 0.0 109.944 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -161.73 161.28 33.12 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.481 1.113 . . . . 0.0 111.018 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 -58.08 0.05 OUTLIER 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.488 1.783 . . . . 0.0 111.001 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 2.0 m 64.5 155.63 0.07 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.464 1.102 . . . . 0.0 110.0 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 64.54 137.36 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.51 1.131 . . . . 0.0 110.035 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.028 0 O-C-N 124.488 1.117 . . . . 0.0 110.996 179.972 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.054 0 N-CA-C 110.951 -0.86 . . . . 0.0 110.951 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 53.3 p -91.26 151.64 20.83 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.531 0.783 . . . . 0.0 109.978 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 9.4 t -98.0 121.51 40.0 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.514 1.134 . . . . 0.0 109.994 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 110.1 110.69 3.3 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.496 1.123 . . . . 0.0 110.97 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.9 t -112.92 145.5 40.64 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.538 0.787 . . . . 0.0 110.008 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.3 t -158.36 102.74 1.76 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.475 1.109 . . . . 0.0 110.001 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . 0.462 ' HA3' ' CD1' ' A' ' 33' ' ' LEU . . . 169.42 165.49 26.88 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.453 1.095 . . . . 0.0 110.996 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -120.25 122.23 40.44 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.486 0.757 . . . . 0.0 110.282 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -83.35 122.6 28.69 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.534 1.146 . . . . 0.0 110.275 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 9.5 m-85 -131.93 167.5 19.51 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.507 1.129 . . . . 0.0 111.021 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 2.4 t -124.35 138.27 54.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.525 1.141 . . . . 0.0 109.302 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -72.53 118.82 15.92 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.438 1.086 . . . . 0.0 109.335 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 2.7 pt -70.19 -14.91 18.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.442 1.089 . . . . 0.0 109.304 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -165.29 139.37 4.8 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.488 1.118 . . . . 0.0 109.319 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 3.2 p-10 -55.4 140.71 39.0 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.488 1.118 . . . . 0.0 109.314 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 22.6 t80 -132.41 157.62 44.07 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.471 1.107 . . . . 0.0 111.013 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -132.15 114.03 14.01 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.542 1.151 . . . . 0.0 109.285 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -53.03 119.77 5.08 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.557 1.161 . . . . 0.0 109.33 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 43.6 p -80.7 -15.71 55.81 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.491 1.119 . . . . 0.0 110.393 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -128.58 178.68 6.14 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.522 1.139 . . . . 0.0 109.288 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 19.8 pt-20 -94.22 17.39 12.79 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.547 1.154 . . . . 0.0 110.314 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 60.5 p -125.08 27.1 6.78 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.124 . . . . 0.0 110.368 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 85.7 mt-30 -134.46 169.2 17.61 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.522 1.139 . . . . 0.0 110.275 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 25.0 mt -112.87 139.33 48.6 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.487 1.117 . . . . 0.0 109.329 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 13.5 m -110.28 130.33 55.57 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.469 1.105 . . . . 0.0 109.995 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . 0.469 ' CB ' HD11 ' A' ' 32' ' ' ILE . 3.3 p90 -141.13 173.65 11.28 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.522 1.139 . . . . 0.0 111.017 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -117.51 142.13 47.53 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.532 1.145 . . . . 0.0 109.273 -179.95 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 6.4 ttt-85 -38.88 123.15 1.25 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.505 1.128 . . . . 0.0 110.285 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 103.72 -33.4 6.61 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.525 1.141 . . . . 0.0 111.0 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 5.3 mt-10 -43.88 132.48 5.24 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.445 0.732 . . . . 0.0 110.336 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 4.4 mptt -77.02 99.94 5.47 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.539 1.149 . . . . 0.0 109.289 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.469 HD11 ' CB ' ' A' ' 26' ' ' PHE . 5.7 mm -94.03 134.76 30.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.492 1.12 . . . . 0.0 109.345 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.462 ' CD1' ' HA3' ' A' ' 7' ' ' GLY . 0.1 OUTLIER -97.41 117.92 32.72 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.522 1.139 . . . . 0.0 109.277 -179.971 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.523 ' CD1' ' CD1' ' A' ' 54' ' ' ILE . 22.7 mm -91.9 78.49 1.39 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.454 1.096 . . . . 0.0 109.277 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.457 ' CD1' ' HB3' ' A' ' 46' ' ' GLU . 6.9 mp -45.71 -68.32 0.21 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.503 1.127 . . . . 0.0 109.31 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 5.0 mtt180 -130.04 158.77 38.69 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.47 1.106 . . . . 0.0 110.329 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . 0.44 ' O ' ' N ' ' A' ' 39' ' ' THR . 4.2 mt-30 -92.6 -50.47 5.58 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.518 1.136 . . . . 0.0 110.268 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 28.6 m 67.78 -66.72 0.2 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.517 1.135 . . . . 0.0 110.364 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' THR . . . . . 0.44 ' N ' ' O ' ' A' ' 37' ' ' GLN . 2.2 p -127.24 162.73 25.51 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.454 1.096 . . . . 0.0 110.385 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -88.32 10.44 19.77 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.496 1.123 . . . . 0.0 109.309 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -121.53 -42.07 2.46 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.531 1.145 . . . . 0.0 109.325 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 87.0 m95 -121.25 132.55 54.88 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.514 1.134 . . . . 0.0 107.98 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' TRP . . . . . 0.474 ' CD1' ' HB1' ' A' ' 56' ' ' ALA . 45.6 m0 -113.95 160.55 18.7 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 107.977 -1.12 . . . . 0.0 107.977 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 41.9 t-105 -107.7 109.21 20.75 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.509 1.13 . . . . 0.0 108.037 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -107.54 169.71 14.9 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.472 1.108 . . . . 0.0 111.03 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . 0.457 ' HB3' ' CD1' ' A' ' 35' ' ' LEU . 27.3 tt0 -135.85 120.65 18.49 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.475 0.75 . . . . 0.0 110.322 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 7.3 mmm180 -90.99 -172.92 3.5 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.529 1.143 . . . . 0.0 110.292 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -63.39 103.52 0.52 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.479 1.112 . . . . 0.0 109.316 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 62.41 9.16 22.71 Favored Glycine 0 CA--C 1.529 0.949 0 O-C-N 124.502 1.126 . . . . 0.0 111.042 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -114.54 163.03 15.95 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 108.281 -1.007 . . . . 0.0 108.281 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 15.8 p -148.51 111.6 4.89 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.507 1.129 . . . . 0.0 108.255 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -148.57 -176.97 22.43 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.467 1.104 . . . . 0.0 111.038 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 5.2 m-85 -95.11 162.83 13.55 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.503 0.767 . . . . 0.0 110.984 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . 0.523 ' CD1' ' CD1' ' A' ' 34' ' ' ILE . 4.4 pt -146.76 150.34 39.24 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.522 1.139 . . . . 0.0 109.32 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 155.69 42.83 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.523 1.802 . . . . 0.0 110.979 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . 0.474 ' HB1' ' CD1' ' A' ' 43' ' ' TRP . . . -100.77 80.14 2.14 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.499 1.124 . . . . 0.0 109.272 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 50.6 t-20 177.38 -41.53 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.57 1.169 . . . . 0.0 109.289 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 4.7 m-70 -65.43 -27.38 68.48 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.554 1.159 . . . . 0.0 109.604 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 17.9 m -109.7 156.78 10.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.472 1.108 . . . . 0.0 109.3 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 144.27 175.41 17.38 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.527 1.142 . . . . 0.0 110.979 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -104.19 -52.94 2.83 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.524 0.779 . . . . 0.0 109.349 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 88.1 m-70 -68.68 160.64 29.86 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.429 1.081 . . . . 0.0 109.59 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 48.5 t -169.2 -57.05 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.447 1.092 . . . . 0.0 110.031 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 126.68 175.12 14.02 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.516 1.135 . . . . 0.0 110.991 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 165.42 31.33 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.514 1.797 . . . . 0.0 110.998 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 70.1 m -92.46 125.67 37.21 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.473 1.108 . . . . 0.0 109.962 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -131.7 -58.54 0.97 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.12 . . . . 0.0 109.982 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.939 0 O-C-N 124.493 1.121 . . . . 0.0 111.033 179.992 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.974 0 N-CA-C 111.028 -0.829 . . . . 0.0 111.028 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 38.5 t -173.54 94.82 0.1 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.456 0.739 . . . . 0.0 110.006 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 77.2 p -94.81 149.33 21.36 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 0.0 109.991 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 160.74 172.47 28.08 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.515 1.134 . . . . 0.0 111.033 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 65.73 158.43 0.11 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.545 0.791 . . . . 0.0 110.014 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 39.7 t -164.95 95.98 0.71 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.463 1.102 . . . . 0.0 110.008 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . 0.474 ' HA3' ' CD1' ' A' ' 33' ' ' LEU . . . -109.94 162.0 12.8 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.515 1.134 . . . . 0.0 111.007 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -111.6 106.71 15.63 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.504 0.767 . . . . 0.0 110.264 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -74.51 130.47 39.66 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.489 1.118 . . . . 0.0 110.322 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 7.3 m-85 -138.85 166.47 24.36 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.456 1.098 . . . . 0.0 111.012 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 2.2 t -124.07 140.64 46.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.493 1.121 . . . . 0.0 109.323 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -71.8 118.09 14.21 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.478 1.111 . . . . 0.0 109.317 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 2.3 pt -68.45 -13.72 17.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.482 1.114 . . . . 0.0 109.303 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -164.38 155.99 15.94 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.538 1.149 . . . . 0.0 109.332 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 1.6 p-10 -58.37 148.76 26.71 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.521 1.138 . . . . 0.0 109.333 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . 0.441 ' OH ' ' NE2' ' A' ' 23' ' ' GLN . 48.8 t80 -133.9 158.35 43.67 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.53 1.144 . . . . 0.0 110.994 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -144.09 104.09 4.09 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.48 1.113 . . . . 0.0 109.356 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -53.88 131.98 40.98 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.535 1.147 . . . . 0.0 109.32 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -95.58 -8.31 35.37 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.455 1.097 . . . . 0.0 110.403 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 17.2 m-20 -133.72 173.06 11.93 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.514 1.134 . . . . 0.0 109.295 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 7.2 pt-20 -93.24 17.92 10.36 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.468 1.105 . . . . 0.0 110.327 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 80.5 p -121.43 13.72 11.05 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.516 1.135 . . . . 0.0 110.4 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . 0.441 ' NE2' ' OH ' ' A' ' 16' ' ' TYR . 65.9 mt-30 -121.7 173.42 7.46 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.5 1.125 . . . . 0.0 110.264 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 17.2 mt -114.13 140.54 48.43 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.454 1.096 . . . . 0.0 109.272 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 16.3 p -109.83 130.69 55.49 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.488 1.117 . . . . 0.0 110.001 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . 0.464 ' CB ' HD13 ' A' ' 32' ' ' ILE . 2.6 p90 -142.92 178.5 7.63 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.504 1.127 . . . . 0.0 110.97 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -125.67 145.79 50.01 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.555 1.159 . . . . 0.0 109.295 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 12.0 ttt-85 -43.91 112.15 0.37 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.466 1.104 . . . . 0.0 110.319 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 117.97 -32.75 5.18 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.507 1.129 . . . . 0.0 111.005 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -49.46 136.19 16.74 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.497 0.763 . . . . 0.0 110.312 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -79.74 102.44 9.02 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.511 1.132 . . . . 0.0 109.328 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.464 HD13 ' CB ' ' A' ' 26' ' ' PHE . 4.5 mm -95.74 124.74 48.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.497 1.123 . . . . 0.0 109.3 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.474 ' CD1' ' HA3' ' A' ' 7' ' ' GLY . 0.1 OUTLIER -87.99 117.86 27.14 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.489 1.118 . . . . 0.0 109.287 -179.974 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.51 ' CD1' ' CD1' ' A' ' 54' ' ' ILE . 19.1 mm -92.51 78.91 1.37 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.5 1.125 . . . . 0.0 109.292 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.466 ' CD2' ' HB2' ' A' ' 46' ' ' GLU . 7.3 mp -46.39 -67.79 0.25 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.558 1.161 . . . . 0.0 109.249 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 2.1 mtt-85 -135.41 173.0 12.2 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.508 1.13 . . . . 0.0 110.307 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . 0.508 ' HG2' ' CG ' ' A' ' 43' ' ' TRP . 7.7 mt-30 -133.87 73.02 1.48 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.451 1.094 . . . . 0.0 110.307 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 81.9 m -38.33 -32.9 0.08 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.511 1.132 . . . . 0.0 110.409 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' THR . . . . . 0.402 ' N ' ' O ' ' A' ' 37' ' ' GLN . 2.2 p -147.12 178.68 8.19 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.513 1.133 . . . . 0.0 110.395 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -91.43 6.82 43.97 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.487 1.117 . . . . 0.0 109.281 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -121.16 -41.99 2.5 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.541 1.151 . . . . 0.0 109.3 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 82.1 m95 -113.12 126.15 55.14 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.476 1.11 . . . . 0.0 108.006 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' TRP . . . . . 0.508 ' CG ' ' HG2' ' A' ' 37' ' ' GLN . 47.5 m0 -113.75 153.52 28.88 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.546 1.154 . . . . 0.0 107.994 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 44.3 t-105 -101.86 105.03 15.8 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 107.988 -1.116 . . . . 0.0 107.988 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -100.62 175.56 26.76 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.518 1.137 . . . . 0.0 111.022 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . 0.466 ' HB2' ' CD2' ' A' ' 35' ' ' LEU . 22.6 tt0 -144.64 120.64 10.7 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.543 0.79 . . . . 0.0 110.29 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 1.3 mmm180 -90.97 -172.88 3.49 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.522 1.139 . . . . 0.0 110.356 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -63.44 103.82 0.56 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.468 1.105 . . . . 0.0 109.284 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 62.59 9.52 25.77 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.55 1.156 . . . . 0.0 111.038 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 1.3 m -114.26 163.35 15.38 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 108.29 -1.004 . . . . 0.0 108.29 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 15.8 p -148.5 112.57 5.19 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.487 1.117 . . . . 0.0 108.323 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -148.32 -177.08 22.32 Favored Glycine 0 CA--C 1.529 0.936 0 O-C-N 124.502 1.126 . . . . 0.0 111.014 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 2.3 m-85 -98.93 159.23 15.1 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.445 0.732 . . . . 0.0 111.022 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . 0.51 ' CD1' ' CD1' ' A' ' 34' ' ' ILE . 4.5 pt -143.74 150.71 51.23 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.529 1.143 . . . . 0.0 109.297 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 172.65 15.95 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.499 1.789 . . . . 0.0 111.022 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -117.91 87.93 2.81 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.572 1.17 . . . . 0.0 109.31 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 2.3 t30 169.6 -36.05 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.479 1.112 . . . . 0.0 109.285 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 2.9 m-70 -73.49 -24.41 60.18 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.477 1.11 . . . . 0.0 109.631 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 9.4 m -113.42 150.74 15.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.549 1.155 . . . . 0.0 109.334 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 157.32 135.5 1.93 Allowed Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.519 1.137 . . . . 0.0 110.968 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.29 117.88 5.73 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.504 0.767 . . . . 0.0 109.278 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 1.4 t60 -93.77 61.1 3.04 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.471 1.107 . . . . 0.0 109.591 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 22.6 t 45.1 79.63 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.502 1.126 . . . . 0.0 109.989 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 67.24 122.55 0.02 OUTLIER Glycine 0 CA--C 1.529 0.948 0 O-C-N 124.519 1.137 . . . . 0.0 111.01 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 172.02 17.17 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.52 1.8 . . . . 0.0 111.018 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -66.42 -59.4 3.71 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.482 1.113 . . . . 0.0 110.0 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 1.5 m -115.87 117.63 30.73 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.438 1.086 . . . . 0.0 110.046 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.006 0 O-C-N 124.456 1.098 . . . . 0.0 110.985 179.998 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.015 0 N-CA-C 111.012 -0.835 . . . . 0.0 111.012 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 39.0 m -80.68 169.0 18.2 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.494 0.761 . . . . 0.0 110.024 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 9.9 p -158.4 120.25 3.57 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.485 1.115 . . . . 0.0 110.042 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 104.24 97.22 2.44 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.457 1.098 . . . . 0.0 110.99 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 64.4 m -119.99 94.71 4.48 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.513 0.772 . . . . 0.0 110.019 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 39.3 m -143.26 -73.48 0.28 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.471 1.107 . . . . 0.0 110.05 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . 0.472 ' HA3' ' CD1' ' A' ' 33' ' ' LEU . . . 88.79 175.29 46.97 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.486 1.116 . . . . 0.0 110.949 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -122.39 123.69 41.93 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.506 0.768 . . . . 0.0 110.261 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -84.23 98.02 9.73 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.523 1.139 . . . . 0.0 110.297 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 9.7 m-85 -99.02 158.24 15.79 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.478 1.111 . . . . 0.0 110.988 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 2.3 t -115.11 135.83 53.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.519 1.137 . . . . 0.0 109.275 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -71.63 118.43 14.45 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.481 1.113 . . . . 0.0 109.263 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 3.1 pt -70.97 -15.15 18.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.509 1.131 . . . . 0.0 109.309 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -159.51 156.39 28.11 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.436 1.085 . . . . 0.0 109.323 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 2.8 p30 -71.83 141.76 49.63 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.515 1.134 . . . . 0.0 109.278 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 74.7 t80 -128.71 172.13 11.54 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.501 1.126 . . . . 0.0 110.948 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -140.43 144.15 35.98 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.5 1.125 . . . . 0.0 109.29 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -89.78 112.41 23.7 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.535 1.147 . . . . 0.0 109.334 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 14.9 p -112.64 5.95 18.04 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.512 1.132 . . . . 0.0 110.371 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -125.0 178.77 5.34 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.504 1.127 . . . . 0.0 109.287 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 10.7 tt0 -88.82 -17.11 30.4 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.536 1.147 . . . . 0.0 110.249 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 40.4 p -123.08 58.55 1.1 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.526 1.141 . . . . 0.0 110.407 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 82.5 mt-30 -144.62 156.01 43.91 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.537 1.148 . . . . 0.0 110.311 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 28.0 mt -117.62 143.72 45.87 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.559 1.162 . . . . 0.0 109.254 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 13.1 p -112.59 132.03 55.33 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.463 1.102 . . . . 0.0 109.971 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . 0.466 ' CB ' HD11 ' A' ' 32' ' ' ILE . 3.5 p90 -144.16 176.8 9.05 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.504 1.128 . . . . 0.0 111.015 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -119.51 144.78 46.83 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.554 1.159 . . . . 0.0 109.308 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 5.7 ttt180 -43.23 110.83 0.21 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.519 1.137 . . . . 0.0 110.281 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 119.66 -36.81 3.34 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.529 1.143 . . . . 0.0 110.993 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -42.24 132.33 3.4 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.556 0.798 . . . . 0.0 110.294 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 12.5 mmtp -77.1 100.85 5.86 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.493 1.121 . . . . 0.0 109.289 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.466 HD11 ' CB ' ' A' ' 26' ' ' PHE . 4.7 mm -94.18 133.93 33.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.481 1.113 . . . . 0.0 109.292 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.472 ' CD1' ' HA3' ' A' ' 7' ' ' GLY . 0.1 OUTLIER -96.45 125.27 40.83 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.484 1.115 . . . . 0.0 109.279 179.989 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.539 ' CD1' ' CD1' ' A' ' 54' ' ' ILE . 42.0 mm -101.94 92.53 2.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.501 1.126 . . . . 0.0 109.329 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.467 HD22 ' CB ' ' A' ' 46' ' ' GLU . 0.3 OUTLIER -65.3 -65.13 0.71 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.513 1.133 . . . . 0.0 109.282 -179.94 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 49.9 mtt85 -129.24 174.74 9.31 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.485 1.115 . . . . 0.0 110.275 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . 0.5 ' HG2' ' CG ' ' A' ' 43' ' ' TRP . 58.3 mt-30 -142.94 74.73 1.45 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.457 1.098 . . . . 0.0 110.309 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' THR . . . . . 0.4 ' C ' ' O ' ' A' ' 37' ' ' GLN . 54.2 m -38.45 -43.71 0.86 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.447 1.092 . . . . 0.0 110.418 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 5.7 p -134.61 173.86 11.2 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.485 1.116 . . . . 0.0 110.366 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -86.48 8.22 22.77 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.518 1.136 . . . . 0.0 109.295 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -122.24 -42.31 2.37 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.529 1.143 . . . . 0.0 109.294 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 95.3 m95 -110.14 124.92 52.41 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.525 1.141 . . . . 0.0 108.017 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' TRP . . . . . 0.5 ' CG ' ' HG2' ' A' ' 37' ' ' GLN . 46.0 m0 -114.63 158.72 21.35 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.491 1.119 . . . . 0.0 108.021 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' TRP . . . . . 0.412 ' CE3' ' CD2' ' A' ' 53' ' ' TYR . 68.9 t-105 -108.25 119.85 40.69 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.552 1.158 . . . . 0.0 108.009 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -117.71 -173.92 16.48 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.462 1.102 . . . . 0.0 111.024 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . 0.467 ' CB ' HD22 ' A' ' 35' ' ' LEU . 28.4 tt0 -146.58 120.66 9.44 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.5 0.765 . . . . 0.0 110.254 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -91.68 -173.82 3.66 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.462 1.101 . . . . 0.0 110.281 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -61.77 103.32 0.33 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.474 1.109 . . . . 0.0 109.277 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 62.39 8.28 18.35 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.529 1.143 . . . . 0.0 111.0 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 1.3 m -115.06 163.44 15.61 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 108.283 -1.006 . . . . 0.0 108.283 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 12.7 p -148.59 111.77 4.92 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.513 1.133 . . . . 0.0 108.283 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -148.59 -177.07 22.53 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.502 1.126 . . . . 0.0 111.018 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' TYR . . . . . 0.412 ' CD2' ' CE3' ' A' ' 44' ' ' TRP . 2.9 m-85 -91.17 173.97 7.65 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.488 0.758 . . . . 0.0 110.983 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . 0.539 ' CD1' ' CD1' ' A' ' 34' ' ' ILE . 3.1 pt -157.27 152.47 21.68 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.454 1.096 . . . . 0.0 109.285 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 158.21 42.31 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.524 1.802 . . . . 0.0 110.993 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -106.27 83.63 1.91 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.454 1.096 . . . . 0.0 109.309 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 168.75 -44.43 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.5 1.125 . . . . 0.0 109.331 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 1.2 m80 -63.27 -16.96 61.89 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.525 1.141 . . . . 0.0 109.648 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 15.4 m -118.6 149.36 21.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.537 1.148 . . . . 0.0 109.282 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -179.07 -165.16 32.93 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.483 1.115 . . . . 0.0 110.987 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -43.32 161.69 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.417 0.716 . . . . 0.0 109.302 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 3.6 m80 -59.25 172.54 0.6 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.511 1.132 . . . . 0.0 109.572 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 30.9 p -118.16 143.07 46.8 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.522 1.139 . . . . 0.0 109.964 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -56.92 165.93 5.13 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.543 1.152 . . . . 0.0 110.979 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -51.16 0.12 Allowed 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.446 1.761 . . . . 0.0 110.971 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 9.3 t -135.83 94.15 3.03 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.457 1.098 . . . . 0.0 110.013 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 44.7 t -90.36 -59.0 2.3 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.543 1.152 . . . . 0.0 110.037 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.025 0 O-C-N 124.563 1.165 . . . . 0.0 111.049 -179.968 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.987 0 N-CA-C 111.006 -0.837 . . . . 0.0 111.006 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -95.69 119.69 34.64 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.532 0.784 . . . . 0.0 109.99 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 50.0 m -112.43 115.61 28.98 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.508 1.13 . . . . 0.0 109.992 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -153.49 156.08 26.54 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.498 1.124 . . . . 0.0 110.981 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.5 t -70.77 -65.43 0.74 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.469 0.747 . . . . 0.0 109.995 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -170.47 135.23 1.19 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.542 1.151 . . . . 0.0 109.968 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . 0.452 ' HA3' ' CD1' ' A' ' 33' ' ' LEU . . . 120.86 156.73 9.91 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.484 1.115 . . . . 0.0 111.021 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -105.98 122.29 45.83 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.492 0.76 . . . . 0.0 110.294 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -86.46 123.3 31.53 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.466 1.104 . . . . 0.0 110.255 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 10.3 m-85 -135.63 167.78 20.49 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.494 1.121 . . . . 0.0 111.044 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . 0.423 ' CG1' ' HA2' ' A' ' 29' ' ' GLY . 2.5 t -125.46 141.33 45.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.502 1.126 . . . . 0.0 109.29 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . 0.55 ' HB1' ' CD1' ' A' ' 26' ' ' PHE . . . -72.75 117.99 15.13 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.532 1.145 . . . . 0.0 109.337 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . 0.429 ' N ' ' O ' ' A' ' 58' ' ' HIS . 3.2 pt -66.59 -13.65 16.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.491 1.12 . . . . 0.0 109.331 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -166.09 153.14 9.75 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.124 . . . . 0.0 109.326 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 3.5 p-10 -64.99 144.76 57.08 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.468 1.105 . . . . 0.0 109.295 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . 0.485 ' CG ' ' N ' ' A' ' 17' ' ' ALA . 32.1 t80 -132.51 166.5 21.92 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.507 1.13 . . . . 0.0 111.001 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . 0.485 ' N ' ' CG ' ' A' ' 16' ' ' TYR . . . -139.37 111.85 7.68 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.471 1.107 . . . . 0.0 109.314 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . 0.473 ' HA ' ' CE2' ' A' ' 16' ' ' TYR . . . -54.89 123.83 14.72 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.517 1.136 . . . . 0.0 109.289 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -87.77 -8.75 55.56 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.515 1.134 . . . . 0.0 110.416 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -134.2 171.67 13.93 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.51 1.131 . . . . 0.0 109.33 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -90.43 18.03 6.65 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.498 1.124 . . . . 0.0 110.307 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 69.1 p -122.09 -1.25 9.31 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.546 1.153 . . . . 0.0 110.401 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . 0.405 ' NE2' ' OH ' ' A' ' 16' ' ' TYR . 60.4 mt-30 -105.9 162.1 13.87 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.461 1.101 . . . . 0.0 110.288 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 21.7 mt -104.04 146.85 28.12 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.494 1.122 . . . . 0.0 109.315 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 14.6 p -119.25 129.55 54.98 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.533 1.145 . . . . 0.0 109.965 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . 0.55 ' CD1' ' HB1' ' A' ' 12' ' ' ALA . 5.7 p90 -140.89 -179.24 5.95 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.511 1.132 . . . . 0.0 111.001 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -124.44 142.83 51.01 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.549 1.156 . . . . 0.0 109.333 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 1.5 ttt-85 -40.15 126.62 2.16 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.551 1.157 . . . . 0.0 110.339 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . 0.423 ' HA2' ' CG1' ' A' ' 11' ' ' VAL . . . 101.4 -24.99 29.75 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.498 1.124 . . . . 0.0 110.991 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 4.4 mt-10 -53.83 132.53 41.76 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.49 0.759 . . . . 0.0 110.305 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -77.24 97.82 4.94 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.49 1.119 . . . . 0.0 109.336 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.467 HD13 ' CB ' ' A' ' 26' ' ' PHE . 4.4 mm -92.34 138.42 19.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.482 1.114 . . . . 0.0 109.287 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.452 ' CD1' ' HA3' ' A' ' 7' ' ' GLY . 0.1 OUTLIER -100.93 117.96 36.02 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.448 1.093 . . . . 0.0 109.258 -179.954 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.57 ' CD1' ' CD1' ' A' ' 54' ' ' ILE . 31.0 mm -92.32 78.86 1.39 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.517 1.136 . . . . 0.0 109.309 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.451 ' CD1' ' HB3' ' A' ' 46' ' ' GLU . 7.8 mp -45.39 -67.83 0.25 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.456 1.098 . . . . 0.0 109.267 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 42.5 mtt180 -134.41 172.32 13.06 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.538 1.149 . . . . 0.0 110.294 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . 0.402 ' O ' ' C ' ' A' ' 38' ' ' THR . 97.1 mt-30 -131.56 66.5 1.54 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.529 1.143 . . . . 0.0 110.29 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' THR . . . . . 0.402 ' C ' ' O ' ' A' ' 37' ' ' GLN . 1.8 m -38.28 -39.93 0.48 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.404 1.065 . . . . 0.0 110.432 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 69.8 p -135.89 177.98 7.4 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.499 1.125 . . . . 0.0 110.382 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -93.11 -3.59 53.82 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.547 1.154 . . . . 0.0 109.342 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 31.8 m-20 -114.28 -35.99 4.81 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.524 1.14 . . . . 0.0 109.287 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 83.6 m95 -113.11 125.82 54.78 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 107.999 -1.111 . . . . 0.0 107.999 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' TRP . . . . . 0.438 ' CE3' HG21 ' A' ' 34' ' ' ILE . 44.3 m0 -113.9 148.67 36.37 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.501 1.126 . . . . 0.0 108.023 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 47.8 t-105 -99.91 105.38 17.09 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.512 1.133 . . . . 0.0 108.018 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -102.11 176.01 25.41 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.447 1.092 . . . . 0.0 110.99 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . 0.451 ' HB3' ' CD1' ' A' ' 35' ' ' LEU . 28.3 tt0 -144.11 120.77 11.14 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.508 0.77 . . . . 0.0 110.287 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -90.91 -172.69 3.43 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.486 1.116 . . . . 0.0 110.312 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -63.74 103.44 0.56 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.539 1.149 . . . . 0.0 109.262 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 62.32 9.39 23.27 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.496 1.123 . . . . 0.0 110.991 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 1.3 m -114.59 163.17 15.78 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 108.304 -0.998 . . . . 0.0 108.304 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 8.2 p -148.5 112.86 5.28 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.473 1.108 . . . . 0.0 108.321 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -148.05 177.03 26.58 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.55 1.156 . . . . 0.0 110.967 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 2.7 m-85 -92.61 148.57 21.97 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.5 0.765 . . . . 0.0 110.97 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . 0.57 ' CD1' ' CD1' ' A' ' 34' ' ' ILE . 14.7 pt -131.48 152.29 80.22 Favored Pre-proline 0 C--N 1.324 -0.518 0 O-C-N 124.507 1.129 . . . . 0.0 109.289 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 168.44 24.83 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.455 1.766 . . . . 0.0 111.015 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -115.27 87.13 2.59 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.47 1.106 . . . . 0.0 109.298 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER 167.7 -35.84 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.455 1.097 . . . . 0.0 109.331 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' HIS . . . . . 0.429 ' O ' ' N ' ' A' ' 13' ' ' ILE . 12.3 m80 -72.77 -19.21 61.4 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.467 1.104 . . . . 0.0 109.596 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 16.3 m -116.77 150.66 18.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.491 1.119 . . . . 0.0 109.304 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 129.08 59.61 0.1 Allowed Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.447 1.092 . . . . 0.0 110.957 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 2.5 tptp -103.26 -71.08 0.74 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.505 0.768 . . . . 0.0 109.343 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 16.6 p80 -144.25 140.46 29.25 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.52 1.137 . . . . 0.0 109.581 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 48.1 t -134.4 147.25 50.44 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.496 1.123 . . . . 0.0 110.006 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 89.33 155.71 30.85 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.529 1.143 . . . . 0.0 111.041 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 71.86 4.84 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.479 1.778 . . . . 0.0 110.967 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 56.7 m -45.74 -60.7 2.07 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.501 1.126 . . . . 0.0 109.996 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 2.6 m -72.94 110.13 7.01 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.474 1.109 . . . . 0.0 110.022 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.012 0 O-C-N 124.43 1.081 . . . . 0.0 110.983 -179.97 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.01 0 N-CA-C 110.974 -0.851 . . . . 0.0 110.974 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.8 m -100.65 106.28 17.73 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.477 0.751 . . . . 0.0 109.98 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 13.0 t -149.65 105.14 3.41 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.523 1.14 . . . . 0.0 109.978 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -120.83 -90.57 1.15 Allowed Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.534 1.146 . . . . 0.0 110.967 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 82.4 p -147.47 116.12 6.72 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.513 0.773 . . . . 0.0 109.998 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 5.8 t 57.67 166.8 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.502 1.126 . . . . 0.0 110.017 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . 0.476 ' HA3' ' CD1' ' A' ' 33' ' ' LEU . . . 130.12 178.83 15.63 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.483 1.114 . . . . 0.0 111.016 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . 0.468 ' CB ' ' HB ' ' A' ' 34' ' ' ILE . 0.0 OUTLIER -129.17 102.98 6.71 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.526 0.78 . . . . 0.0 110.262 -179.953 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -69.04 121.51 16.82 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.472 1.107 . . . . 0.0 110.305 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 8.0 m-85 -133.53 171.53 13.96 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.509 1.131 . . . . 0.0 110.989 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 2.1 t -126.71 137.65 57.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.44 1.087 . . . . 0.0 109.27 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -71.47 127.95 34.24 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.49 1.119 . . . . 0.0 109.259 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . 0.437 ' CG1' ' O ' ' A' ' 58' ' ' HIS . 3.2 pt -83.6 2.85 3.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.482 1.114 . . . . 0.0 109.308 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -170.99 161.88 7.05 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.441 1.088 . . . . 0.0 109.287 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . 0.422 ' OD1' ' N ' ' A' ' 15' ' ' ASP . 0.1 OUTLIER -84.59 110.45 18.73 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.485 1.116 . . . . 0.0 109.3 179.986 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . 0.422 ' HB3' ' CE1' ' A' ' 26' ' ' PHE . 8.1 t80 -106.15 146.39 30.28 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.469 1.106 . . . . 0.0 110.982 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . 0.409 ' N ' ' CD1' ' A' ' 16' ' ' TYR . . . -129.48 102.64 6.48 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.493 1.121 . . . . 0.0 109.286 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -53.38 145.55 14.12 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.515 1.134 . . . . 0.0 109.332 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -97.19 -38.28 9.77 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.496 1.123 . . . . 0.0 110.424 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -104.5 -175.57 2.83 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.496 1.123 . . . . 0.0 109.288 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 6.8 pt-20 -96.14 18.28 13.91 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.478 1.112 . . . . 0.0 110.289 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 28.4 p -108.29 -0.24 20.91 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.488 1.117 . . . . 0.0 110.361 -179.935 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 43.4 mt-30 -130.56 154.46 47.81 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.444 1.09 . . . . 0.0 110.284 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 85.9 mt -101.23 155.84 17.78 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.515 1.134 . . . . 0.0 109.289 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' SER . . . . . 0.403 ' O ' ' NH1' ' A' ' 47' ' ' ARG . 54.8 p -116.86 133.87 55.48 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.542 1.151 . . . . 0.0 110.043 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . 0.556 ' CD2' HD13 ' A' ' 32' ' ' ILE . 2.4 p90 -145.58 173.98 11.57 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.497 1.123 . . . . 0.0 111.004 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -117.34 145.89 43.74 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.491 1.12 . . . . 0.0 109.313 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 72.2 ttt180 -43.8 110.55 0.21 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.531 1.144 . . . . 0.0 110.305 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 120.05 -35.77 3.68 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.492 1.12 . . . . 0.0 110.989 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -44.01 131.61 5.72 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.505 0.768 . . . . 0.0 110.319 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 1.5 mptt -76.12 100.88 5.13 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.523 1.14 . . . . 0.0 109.299 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.556 HD13 ' CD2' ' A' ' 26' ' ' PHE . 5.3 mm -94.33 126.48 46.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.506 1.129 . . . . 0.0 109.271 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.476 ' CD1' ' HA3' ' A' ' 7' ' ' GLY . 0.2 OUTLIER -88.18 117.81 27.33 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.467 1.105 . . . . 0.0 109.321 179.998 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.573 ' CD1' ' CD1' ' A' ' 54' ' ' ILE . 26.5 mm -92.35 82.01 1.73 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.491 1.119 . . . . 0.0 109.295 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.446 ' CD1' ' HB3' ' A' ' 46' ' ' GLU . 8.2 mp -48.05 -69.24 0.13 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.451 1.095 . . . . 0.0 109.294 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 3.9 ttt180 -135.92 172.24 13.3 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.499 1.124 . . . . 0.0 110.276 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . 0.52 ' HG2' ' CD2' ' A' ' 43' ' ' TRP . 12.0 mt-30 -128.91 71.5 1.42 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.51 1.131 . . . . 0.0 110.331 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' THR . . . . . 0.402 ' C ' ' O ' ' A' ' 37' ' ' GLN . 6.8 m -38.48 -33.01 0.09 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.483 1.115 . . . . 0.0 110.4 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 68.6 p -148.82 -176.36 5.3 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.492 1.12 . . . . 0.0 110.413 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -98.8 8.84 44.52 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.517 1.136 . . . . 0.0 109.283 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -119.32 -40.51 2.8 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.511 1.132 . . . . 0.0 109.277 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 81.3 m95 -120.77 129.25 53.52 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 108.009 -1.108 . . . . 0.0 108.009 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' TRP . . . . . 0.52 ' CD2' ' HG2' ' A' ' 37' ' ' GLN . 47.0 m0 -112.53 153.42 27.51 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 107.973 -1.121 . . . . 0.0 107.973 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' TRP . . . . . 0.475 ' CE3' ' CD2' ' A' ' 53' ' ' TYR . 68.2 t-105 -99.99 105.18 16.84 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.517 1.136 . . . . 0.0 108.02 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -102.29 171.03 21.01 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.459 1.1 . . . . 0.0 110.982 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . 0.446 ' HB3' ' CD1' ' A' ' 35' ' ' LEU . 20.3 tt0 -139.5 120.65 14.74 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.512 0.772 . . . . 0.0 110.264 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . 0.403 ' NH1' ' O ' ' A' ' 25' ' ' SER . 8.9 mmm-85 -91.16 -175.34 4.26 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.51 1.131 . . . . 0.0 110.296 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -60.84 103.84 0.3 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.481 1.113 . . . . 0.0 109.23 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 62.92 8.0 19.75 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.473 1.108 . . . . 0.0 111.009 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -114.8 162.34 17.0 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 108.335 -0.987 . . . . 0.0 108.335 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 7.6 m -148.77 112.86 5.19 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.515 1.134 . . . . 0.0 108.332 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -148.42 179.15 25.5 Favored Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.505 1.128 . . . . 0.0 111.022 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' TYR . . . . . 0.475 ' CD2' ' CE3' ' A' ' 44' ' ' TRP . 1.4 m-85 -93.83 154.1 17.92 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.469 0.747 . . . . 0.0 110.995 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . 0.573 ' CD1' ' CD1' ' A' ' 34' ' ' ILE . 3.7 pt -137.01 151.18 71.6 Favored Pre-proline 0 C--N 1.326 -0.438 0 O-C-N 124.473 1.108 . . . . 0.0 109.296 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 167.88 26.07 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.483 1.781 . . . . 0.0 111.007 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -112.52 85.62 2.2 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.13 . . . . 0.0 109.309 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 1.5 t-20 168.83 -35.45 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.492 1.12 . . . . 0.0 109.278 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' HIS . . . . . 0.437 ' O ' ' CG1' ' A' ' 13' ' ' ILE . 3.1 m170 -72.62 -28.12 62.57 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.471 1.107 . . . . 0.0 109.586 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 21.4 m -106.11 161.03 5.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.54 1.15 . . . . 0.0 109.321 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -178.2 175.82 47.67 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.43 1.081 . . . . 0.0 110.972 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -97.84 81.82 2.93 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.521 0.777 . . . . 0.0 109.31 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 29.4 t-80 -93.65 138.19 32.13 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.46 1.1 . . . . 0.0 109.626 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -51.77 128.42 23.64 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.513 1.133 . . . . 0.0 110.003 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -43.34 102.2 0.03 OUTLIER Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.461 1.1 . . . . 0.0 110.985 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 82.95 1.9 Allowed 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.463 1.77 . . . . 0.0 110.968 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 55.6 p -44.77 108.47 0.12 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.508 1.13 . . . . 0.0 109.978 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 5.2 t -62.06 -56.39 19.44 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.46 1.1 . . . . 0.0 109.972 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.957 0 O-C-N 124.446 1.091 . . . . 0.0 111.022 -179.96 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.037 0 N-CA-C 110.968 -0.853 . . . . 0.0 110.968 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.7 m -159.5 84.78 0.77 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.499 0.764 . . . . 0.0 109.975 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 9.3 t -118.31 125.93 51.08 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.458 1.099 . . . . 0.0 110.003 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 90.51 -178.79 43.02 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.514 1.134 . . . . 0.0 111.032 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 7.1 t -121.78 109.54 14.81 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.49 0.759 . . . . 0.0 110.007 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -78.75 99.13 6.54 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.535 1.147 . . . . 0.0 110.014 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . 0.445 ' HA3' ' CD1' ' A' ' 33' ' ' LEU . . . -115.44 -173.17 17.43 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.528 1.143 . . . . 0.0 111.04 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -125.56 113.53 17.55 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.529 0.781 . . . . 0.0 110.29 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -78.04 108.64 11.47 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.512 1.133 . . . . 0.0 110.315 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 6.5 m-85 -111.99 166.85 10.87 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.518 1.136 . . . . 0.0 110.973 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 2.1 t -123.98 137.11 58.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.491 1.119 . . . . 0.0 109.295 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . 0.432 ' HB2' ' CD1' ' A' ' 26' ' ' PHE . . . -71.8 118.01 14.11 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.49 1.119 . . . . 0.0 109.291 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 2.4 pt -72.95 -11.16 14.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.469 1.106 . . . . 0.0 109.333 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -169.37 137.98 1.94 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.52 1.138 . . . . 0.0 109.259 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 1.6 p30 -54.71 142.62 27.91 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.502 1.126 . . . . 0.0 109.282 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 51.4 t80 -131.43 155.1 47.92 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.494 1.121 . . . . 0.0 110.991 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -127.53 113.15 15.76 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.538 1.149 . . . . 0.0 109.318 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . 0.421 ' CB ' ' HB2' ' A' ' 23' ' ' GLN . . . -52.95 129.0 29.08 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.485 1.115 . . . . 0.0 109.275 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -85.51 -27.74 25.43 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.477 1.111 . . . . 0.0 110.414 179.939 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 21.0 m-20 -113.69 -176.03 2.81 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.5 1.125 . . . . 0.0 109.301 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -98.31 18.03 17.35 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.485 1.116 . . . . 0.0 110.328 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 39.5 p -127.46 16.6 7.06 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.461 1.101 . . . . 0.0 110.423 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . 0.421 ' HB2' ' CB ' ' A' ' 18' ' ' ALA . 96.3 mt-30 -115.53 163.99 14.95 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.47 1.106 . . . . 0.0 110.276 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 19.6 mt -110.09 140.14 44.47 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.524 1.14 . . . . 0.0 109.263 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 14.7 m -115.36 130.52 56.92 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.513 1.133 . . . . 0.0 109.969 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . 0.469 ' CB ' HD12 ' A' ' 32' ' ' ILE . 3.3 p90 -140.07 175.16 9.82 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.511 1.132 . . . . 0.0 111.007 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -115.49 143.84 44.73 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.447 1.092 . . . . 0.0 109.328 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 3.9 ttt-85 -42.18 113.7 0.47 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.512 1.133 . . . . 0.0 110.322 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 117.42 -36.71 3.59 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.512 1.132 . . . . 0.0 110.946 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -43.72 132.71 4.94 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.509 0.77 . . . . 0.0 110.304 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 1.8 mptt -77.7 103.77 7.83 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.482 1.114 . . . . 0.0 109.316 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.469 HD12 ' CB ' ' A' ' 26' ' ' PHE . 4.9 mm -96.47 129.2 46.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.505 1.128 . . . . 0.0 109.326 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.445 ' CD1' ' HA3' ' A' ' 7' ' ' GLY . 0.1 OUTLIER -91.24 120.78 32.44 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.518 1.136 . . . . 0.0 109.316 -179.985 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.525 ' CD1' ' CD1' ' A' ' 54' ' ' ILE . 10.1 mm -98.07 100.88 11.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 0.0 109.331 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.454 HD21 ' CB ' ' A' ' 46' ' ' GLU . 2.8 mm? -69.02 -68.42 0.4 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.483 1.115 . . . . 0.0 109.326 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -124.59 170.59 10.78 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.497 1.123 . . . . 0.0 110.344 179.948 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . 0.45 ' O ' ' N ' ' A' ' 39' ' ' THR . 59.6 mt-30 -100.86 -23.09 14.64 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.465 1.103 . . . . 0.0 110.24 -179.946 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 92.1 m 65.02 -74.3 0.05 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.501 1.125 . . . . 0.0 110.401 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' THR . . . . . 0.491 ' O ' ' CB ' ' A' ' 40' ' ' ALA . 9.4 p -123.8 -65.33 1.08 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.515 1.134 . . . . 0.0 110.408 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . 0.491 ' CB ' ' O ' ' A' ' 39' ' ' THR . . . 163.85 -31.89 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.529 1.143 . . . . 0.0 109.305 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -93.6 -25.85 17.35 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.509 1.131 . . . . 0.0 109.297 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 90.5 m95 -122.43 123.77 42.09 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.499 1.124 . . . . 0.0 107.968 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 44.1 m0 -112.52 153.31 27.66 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.533 1.146 . . . . 0.0 107.986 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' TRP . . . . . 0.508 ' CE3' ' CD2' ' A' ' 53' ' ' TYR . 56.4 t-105 -104.0 108.34 19.64 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 107.985 -1.117 . . . . 0.0 107.985 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -107.59 -179.36 22.27 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.475 1.11 . . . . 0.0 111.014 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . 0.454 ' CB ' HD21 ' A' ' 35' ' ' LEU . 28.8 tt0 -142.94 120.68 11.88 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.5 0.765 . . . . 0.0 110.339 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -92.77 179.9 5.34 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.52 1.138 . . . . 0.0 110.299 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -56.49 103.46 0.11 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.488 1.118 . . . . 0.0 109.287 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 62.73 7.67 16.96 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.541 1.151 . . . . 0.0 111.009 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' CYS . . . . . 0.402 ' C ' ' SG ' ' A' ' 51' ' ' CYS . 1.2 m -115.15 158.63 21.96 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 108.321 -0.992 . . . . 0.0 108.321 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' CYS . . . . . 0.402 ' SG ' ' C ' ' A' ' 50' ' ' CYS . 7.4 m -148.73 111.4 4.78 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.551 1.157 . . . . 0.0 108.266 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -148.87 -176.8 22.52 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.436 1.085 . . . . 0.0 110.995 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' TYR . . . . . 0.508 ' CD2' ' CE3' ' A' ' 44' ' ' TRP . 1.5 m-85 -92.49 151.71 20.05 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.507 0.769 . . . . 0.0 111.005 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . 0.525 ' CD1' ' CD1' ' A' ' 34' ' ' ILE . 3.6 pt -135.11 148.57 67.18 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.509 1.13 . . . . 0.0 109.314 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 160.47 40.0 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.453 1.765 . . . . 0.0 111.001 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -108.28 83.16 1.74 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.566 1.166 . . . . 0.0 109.331 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 25.5 t-20 177.19 -40.35 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.537 1.148 . . . . 0.0 109.317 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 40.8 m80 -70.55 -20.4 62.8 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.449 1.093 . . . . 0.0 109.634 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 10.9 m -118.58 144.41 26.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.536 1.148 . . . . 0.0 109.268 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -166.56 -144.84 4.24 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.515 1.135 . . . . 0.0 111.017 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 10.7 mmtm 57.12 171.84 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.519 0.776 . . . . 0.0 109.296 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -159.06 137.23 10.55 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.511 1.132 . . . . 0.0 109.625 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -140.17 -59.65 0.54 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.488 1.117 . . . . 0.0 110.007 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 130.71 179.73 16.31 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.527 1.142 . . . . 0.0 110.988 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 92.81 0.97 Allowed 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.502 1.791 . . . . 0.0 111.004 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' SER . . . . . 0.443 ' O ' ' N ' ' A' ' 68' ' ' GLY . 9.6 t -106.48 110.77 23.08 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.528 1.143 . . . . 0.0 110.041 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 75.2 m 64.48 -76.46 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.53 1.144 . . . . 0.0 110.055 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . 0.443 ' N ' ' O ' ' A' ' 66' ' ' SER . . . . . . . . 0 CA--C 1.53 1.014 0 O-C-N 124.519 1.137 . . . . 0.0 111.028 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.036 0 N-CA-C 110.984 -0.847 . . . . 0.0 110.984 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 33.7 t -179.52 128.39 0.09 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.563 0.802 . . . . 0.0 109.992 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 69.4 m -98.37 102.29 13.99 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.467 1.105 . . . . 0.0 110.046 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -178.98 -70.25 0.06 OUTLIER Glycine 0 CA--C 1.529 0.947 0 O-C-N 124.488 1.118 . . . . 0.0 111.051 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.6 m 53.02 84.79 0.05 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.479 0.752 . . . . 0.0 110.011 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 50.5 m 66.28 126.14 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.484 1.115 . . . . 0.0 109.988 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -175.89 168.12 40.24 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.505 1.128 . . . . 0.0 110.966 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -120.35 109.2 15.07 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.515 0.773 . . . . 0.0 110.338 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -73.4 120.47 19.05 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.52 1.137 . . . . 0.0 110.315 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 5.7 m-85 -131.12 160.87 33.47 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.543 1.152 . . . . 0.0 111.011 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 2.1 t -117.74 142.03 33.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.533 1.145 . . . . 0.0 109.269 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -74.93 118.21 17.64 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.529 1.143 . . . . 0.0 109.278 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . 0.435 ' CG1' ' O ' ' A' ' 58' ' ' HIS . 2.5 pt -76.02 -3.69 5.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.493 1.121 . . . . 0.0 109.308 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -171.16 138.31 1.23 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.542 1.152 . . . . 0.0 109.256 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 6.4 p-10 -60.73 140.45 57.53 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.445 1.09 . . . . 0.0 109.309 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . 0.434 ' OH ' ' NE2' ' A' ' 23' ' ' GLN . 53.7 t80 -130.88 161.36 32.02 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.543 1.152 . . . . 0.0 111.009 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -133.33 115.61 15.11 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.474 1.109 . . . . 0.0 109.314 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -53.94 115.76 2.19 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.462 1.101 . . . . 0.0 109.29 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 72.0 p -82.67 -10.11 59.07 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.492 1.12 . . . . 0.0 110.425 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -138.25 173.97 11.05 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.474 1.109 . . . . 0.0 109.33 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 13.5 pt-20 -88.47 17.25 5.49 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.545 1.153 . . . . 0.0 110.243 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 21.0 p -123.15 13.41 9.67 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.454 1.097 . . . . 0.0 110.441 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . 0.434 ' NE2' ' OH ' ' A' ' 16' ' ' TYR . 65.3 mt-30 -125.06 157.08 37.12 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.479 1.112 . . . . 0.0 110.28 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 12.7 mt -100.1 146.13 27.15 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.514 1.133 . . . . 0.0 109.347 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 79.7 p -111.94 137.81 49.42 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.512 1.132 . . . . 0.0 109.969 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . 0.573 ' CD2' HD11 ' A' ' 32' ' ' ILE . 11.0 p90 -154.39 -178.9 7.46 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.501 1.125 . . . . 0.0 111.029 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -127.69 142.86 51.22 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.533 1.145 . . . . 0.0 109.339 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 8.8 ttt85 -39.16 115.33 0.48 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.531 1.144 . . . . 0.0 110.32 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 114.65 -40.41 2.48 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.525 1.141 . . . . 0.0 111.01 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -39.04 134.38 1.05 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.509 0.77 . . . . 0.0 110.313 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.453 ' O ' ' NH2' ' A' ' 47' ' ' ARG . 0.3 OUTLIER -74.81 100.34 4.01 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.549 1.156 . . . . 0.0 109.302 -179.998 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.573 HD11 ' CD2' ' A' ' 26' ' ' PHE . 4.4 mm -95.45 123.95 47.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.53 1.144 . . . . 0.0 109.262 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -89.5 117.66 28.57 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.484 1.115 . . . . 0.0 109.321 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.546 ' CD1' ' CD1' ' A' ' 54' ' ' ILE . 33.3 mm -91.16 77.63 1.35 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.472 1.107 . . . . 0.0 109.279 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.461 ' CD2' ' HB2' ' A' ' 46' ' ' GLU . 7.0 mp -46.1 -67.61 0.27 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.426 1.079 . . . . 0.0 109.345 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 5.6 ttt180 -128.38 163.01 25.77 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.496 1.122 . . . . 0.0 110.313 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . 0.445 ' O ' ' N ' ' A' ' 39' ' ' THR . 6.6 mt-30 -99.08 -50.83 4.03 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.513 1.133 . . . . 0.0 110.302 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 21.0 m 66.61 -69.79 0.12 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.497 1.123 . . . . 0.0 110.409 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' THR . . . . . 0.445 ' N ' ' O ' ' A' ' 37' ' ' GLN . 14.4 p -123.22 160.58 26.28 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.53 1.144 . . . . 0.0 110.406 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -86.51 10.49 15.15 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.562 1.164 . . . . 0.0 109.308 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 3.6 t0 -121.73 -42.22 2.43 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.464 1.102 . . . . 0.0 109.262 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 78.8 m95 -120.52 130.26 54.17 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.474 1.109 . . . . 0.0 108.028 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' TRP . . . . . 0.406 ' CD1' ' HB2' ' A' ' 56' ' ' ALA . 45.4 m0 -113.15 160.12 18.55 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.484 1.115 . . . . 0.0 108.015 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 41.0 t-105 -106.79 107.92 19.17 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.498 1.123 . . . . 0.0 107.975 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -105.02 174.78 21.73 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.478 1.111 . . . . 0.0 110.993 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . 0.461 ' HB2' ' CD2' ' A' ' 35' ' ' LEU . 20.1 tt0 -146.62 120.22 9.14 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.464 0.744 . . . . 0.0 110.256 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . 0.453 ' NH2' ' O ' ' A' ' 31' ' ' LYS . 0.0 OUTLIER -93.65 -176.09 3.96 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.526 1.141 . . . . 0.0 110.303 179.945 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -57.85 103.17 0.12 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.464 1.103 . . . . 0.0 109.24 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 62.4 9.2 22.81 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.486 1.116 . . . . 0.0 110.98 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 1.1 m -114.45 157.35 23.02 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 108.289 -1.004 . . . . 0.0 108.289 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 8.2 p -148.46 112.2 5.09 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.481 1.113 . . . . 0.0 108.267 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -148.14 178.96 25.38 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.551 1.157 . . . . 0.0 111.013 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 2.7 m-85 -91.86 148.91 21.87 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.55 0.794 . . . . 0.0 111.033 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . 0.546 ' CD1' ' CD1' ' A' ' 34' ' ' ILE . 5.1 pt -134.42 151.41 76.13 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.52 1.138 . . . . 0.0 109.324 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 167.32 27.31 Favored 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.499 1.789 . . . . 0.0 111.033 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . 0.406 ' HB2' ' CD1' ' A' ' 43' ' ' TRP . . . -111.3 84.48 1.95 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.503 1.127 . . . . 0.0 109.286 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 1.8 t-20 170.68 -35.39 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.511 1.132 . . . . 0.0 109.295 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' HIS . . . . . 0.435 ' O ' ' CG1' ' A' ' 13' ' ' ILE . 13.9 m80 -69.28 -28.47 66.32 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.478 1.111 . . . . 0.0 109.623 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 13.3 m -101.58 145.69 11.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.516 1.135 . . . . 0.0 109.332 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 45.56 -167.19 0.05 OUTLIER Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.484 1.115 . . . . 0.0 110.986 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 2.0 mmtt -172.29 -52.38 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.517 0.775 . . . . 0.0 109.27 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 9.6 m-70 -135.66 -55.43 0.78 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.496 1.122 . . . . 0.0 109.617 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 49.9 m 62.02 142.32 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.487 1.117 . . . . 0.0 110.016 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 170.76 -157.96 29.31 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.514 1.134 . . . . 0.0 110.987 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 160.2 40.5 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.476 1.777 . . . . 0.0 111.018 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 39.1 m -121.89 143.32 49.51 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.488 1.117 . . . . 0.0 109.977 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 21.9 t -154.8 120.04 4.99 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.508 1.13 . . . . 0.0 109.993 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.964 0 O-C-N 124.548 1.155 . . . . 0.0 111.012 -180.0 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.003 0 N-CA-C 111.025 -0.83 . . . . 0.0 111.025 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 89.1 p -56.25 156.29 5.9 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.521 0.777 . . . . 0.0 110.028 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -144.01 147.37 33.78 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.53 1.144 . . . . 0.0 109.997 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 93.02 142.46 11.65 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.448 1.092 . . . . 0.0 111.005 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 29.9 m -105.09 -57.2 2.06 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.486 0.756 . . . . 0.0 110.012 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -90.25 158.37 17.23 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.451 1.094 . . . . 0.0 109.992 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -108.68 178.27 20.92 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.483 1.115 . . . . 0.0 110.979 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 8.9 mt-10 -121.41 135.13 55.1 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.529 0.782 . . . . 0.0 110.286 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -90.89 117.82 29.79 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.461 1.1 . . . . 0.0 110.319 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 14.6 m-85 -115.89 163.39 15.95 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.537 1.148 . . . . 0.0 111.013 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 2.3 t -124.09 136.45 60.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.498 1.124 . . . . 0.0 109.267 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -70.96 117.9 13.04 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.486 1.116 . . . . 0.0 109.292 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . 0.407 ' N ' ' O ' ' A' ' 58' ' ' HIS . 2.9 pt -66.14 -17.27 22.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.458 1.098 . . . . 0.0 109.319 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -163.81 156.82 18.21 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.472 1.107 . . . . 0.0 109.308 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 2.9 p-10 -62.37 143.79 56.57 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.406 1.066 . . . . 0.0 109.316 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . 0.557 ' HB2' ' CD2' ' A' ' 58' ' ' HIS . 11.2 t80 -133.17 152.49 51.94 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.533 1.145 . . . . 0.0 110.974 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -129.9 114.45 15.89 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.491 1.119 . . . . 0.0 109.284 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -53.12 130.94 35.83 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.515 1.134 . . . . 0.0 109.289 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -84.45 -36.5 22.29 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.45 1.094 . . . . 0.0 110.388 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 5.3 t0 -108.43 -172.65 2.1 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.566 1.166 . . . . 0.0 109.265 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -99.82 17.66 20.21 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.48 1.112 . . . . 0.0 110.293 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 40.9 p -127.79 28.95 5.53 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.459 1.1 . . . . 0.0 110.382 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 81.5 mt-30 -126.52 163.45 23.36 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.477 1.11 . . . . 0.0 110.309 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 21.7 mt -105.91 136.33 45.75 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.49 1.119 . . . . 0.0 109.348 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 9.8 p -109.36 133.22 53.33 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.507 1.129 . . . . 0.0 109.983 -179.933 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . 0.529 ' CE1' ' HB3' ' A' ' 16' ' ' TYR . 2.0 p90 -143.53 -178.96 6.14 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.459 1.099 . . . . 0.0 110.988 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.402 ' O ' ' C ' ' A' ' 28' ' ' ARG . 0.1 OUTLIER -127.44 143.9 51.13 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.506 1.129 . . . . 0.0 109.289 179.973 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . 0.402 ' C ' ' O ' ' A' ' 27' ' ' LEU . 5.3 ttt180 -39.01 122.9 1.25 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.477 1.111 . . . . 0.0 110.275 -179.942 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 104.63 -32.0 7.99 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.498 1.124 . . . . 0.0 111.035 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 4.8 mt-10 -45.93 129.96 9.63 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.512 0.772 . . . . 0.0 110.317 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 19.3 mmtt -76.51 102.32 6.0 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.494 1.121 . . . . 0.0 109.297 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.462 HD13 ' CB ' ' A' ' 26' ' ' PHE . 4.9 mm -94.95 158.07 2.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.541 1.151 . . . . 0.0 109.274 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.419 HD13 ' N ' ' A' ' 34' ' ' ILE . 0.1 OUTLIER -117.88 134.0 55.37 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.47 1.106 . . . . 0.0 109.341 179.972 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.592 ' CD1' ' CD1' ' A' ' 54' ' ' ILE . 30.2 mm -112.41 94.9 3.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.572 1.17 . . . . 0.0 109.293 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.454 HD23 ' CB ' ' A' ' 46' ' ' GLU . 2.3 mm? -70.54 -63.04 1.17 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.486 1.116 . . . . 0.0 109.317 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -131.55 155.27 47.76 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.461 1.101 . . . . 0.0 110.308 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . 0.442 ' O ' ' N ' ' A' ' 39' ' ' THR . 38.7 mt-30 -89.71 -16.45 30.35 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.473 1.108 . . . . 0.0 110.307 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 90.5 m 62.67 -78.91 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.491 1.119 . . . . 0.0 110.411 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' THR . . . . . 0.442 ' N ' ' O ' ' A' ' 37' ' ' GLN . 22.9 p -116.86 -64.22 1.34 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.524 1.14 . . . . 0.0 110.459 179.945 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . 0.421 ' O ' ' NE1' ' A' ' 43' ' ' TRP . . . 169.08 -39.88 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.487 1.117 . . . . 0.0 109.302 179.941 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -87.39 -39.05 15.62 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.493 1.121 . . . . 0.0 109.329 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 94.0 m95 -106.17 123.52 48.16 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.539 1.149 . . . . 0.0 108.003 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' TRP . . . . . 0.421 ' NE1' ' O ' ' A' ' 40' ' ' ALA . 43.8 m0 -112.24 154.76 25.11 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.505 1.128 . . . . 0.0 108.024 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' TRP . . . . . 0.539 ' CE3' ' CE2' ' A' ' 53' ' ' TYR . 56.1 t-105 -104.9 106.11 16.46 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 107.98 -1.119 . . . . 0.0 107.98 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -105.64 -171.97 23.73 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.438 1.086 . . . . 0.0 111.033 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . 0.454 ' CB ' HD23 ' A' ' 35' ' ' LEU . 34.2 tt0 -147.8 121.3 9.11 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.479 0.752 . . . . 0.0 110.312 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 3.1 mmm180 -91.3 -177.14 4.77 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.484 1.115 . . . . 0.0 110.334 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -59.46 103.79 0.22 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.501 1.126 . . . . 0.0 109.267 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 62.94 7.14 14.87 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.503 1.127 . . . . 0.0 110.989 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 1.1 m -115.23 162.06 17.59 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 108.297 -1.001 . . . . 0.0 108.297 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 11.6 m -148.59 111.18 4.74 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.546 1.154 . . . . 0.0 108.294 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -148.92 -176.9 22.64 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.488 1.117 . . . . 0.0 110.999 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' TYR . . . . . 0.539 ' CE2' ' CE3' ' A' ' 44' ' ' TRP . 4.2 m-85 -90.19 160.53 16.18 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.518 0.775 . . . . 0.0 111.019 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . 0.592 ' CD1' ' CD1' ' A' ' 34' ' ' ILE . 2.6 pt -144.75 147.6 36.24 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.479 1.112 . . . . 0.0 109.257 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.06 163.63 34.83 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.529 1.804 . . . . 0.0 111.002 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -110.19 84.03 1.86 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.514 1.134 . . . . 0.0 109.304 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 38.5 t-20 177.32 -38.56 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.449 1.093 . . . . 0.0 109.31 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' HIS . . . . . 0.557 ' CD2' ' HB2' ' A' ' 16' ' ' TYR . 39.2 m80 -70.98 -28.1 64.2 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.529 1.143 . . . . 0.0 109.618 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 15.7 m -111.0 149.3 13.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.51 1.131 . . . . 0.0 109.304 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -159.01 -145.01 4.12 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.518 1.136 . . . . 0.0 111.005 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -110.64 138.57 46.87 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.519 0.776 . . . . 0.0 109.286 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . 0.415 ' NE2' ' HA2' ' A' ' 64' ' ' GLY . 60.1 t60 -107.11 138.33 43.49 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.489 1.118 . . . . 0.0 109.606 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 3.0 m -95.18 -61.04 1.55 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.511 1.132 . . . . 0.0 109.993 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . 0.415 ' HA2' ' NE2' ' A' ' 62' ' ' HIS . . . 139.36 -145.96 17.35 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.524 1.14 . . . . 0.0 110.977 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -39.05 1.33 Allowed 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.482 1.78 . . . . 0.0 111.036 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 3.3 m 58.87 89.11 0.06 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.524 1.14 . . . . 0.0 110.012 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -50.67 156.67 0.89 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.512 1.133 . . . . 0.0 110.039 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.024 0 O-C-N 124.451 1.094 . . . . 0.0 110.958 179.988 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.027 0 N-CA-C 110.99 -0.844 . . . . 0.0 110.99 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -98.14 -76.95 0.52 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.496 0.763 . . . . 0.0 109.988 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 31.2 m -140.94 141.19 34.52 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.484 1.115 . . . . 0.0 110.011 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 121.59 -164.88 14.63 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.482 1.114 . . . . 0.0 111.033 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 88.0 p -54.28 145.82 16.86 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.508 0.769 . . . . 0.0 109.968 -179.939 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 14.8 m -132.88 89.18 2.59 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.518 1.136 . . . . 0.0 109.966 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . 0.476 ' HA3' ' CD1' ' A' ' 33' ' ' LEU . . . 72.19 -170.28 50.2 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.452 1.095 . . . . 0.0 111.006 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -123.81 121.2 34.79 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.503 0.767 . . . . 0.0 110.302 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . 0.465 ' HG3' ' CD2' ' A' ' 33' ' ' LEU . 0.1 OUTLIER -78.98 104.17 9.44 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.513 1.133 . . . . 0.0 110.288 -179.997 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 11.0 m-85 -106.88 160.39 15.55 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.519 1.137 . . . . 0.0 110.969 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 2.2 t -121.21 136.55 57.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.496 1.122 . . . . 0.0 109.265 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -70.91 117.95 13.07 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.472 1.107 . . . . 0.0 109.361 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 3.5 pt -67.33 -18.38 23.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.482 1.114 . . . . 0.0 109.323 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -162.57 152.3 15.96 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.498 1.124 . . . . 0.0 109.311 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 4.8 p-10 -59.37 141.35 54.76 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.513 1.133 . . . . 0.0 109.295 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . 0.447 ' HB3' ' CE1' ' A' ' 26' ' ' PHE . 82.9 t80 -131.56 153.3 50.0 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.472 1.107 . . . . 0.0 110.977 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -128.35 112.5 14.5 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.472 1.108 . . . . 0.0 109.28 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -53.17 120.18 5.63 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.471 1.107 . . . . 0.0 109.302 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -76.7 -27.05 55.36 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.535 1.147 . . . . 0.0 110.394 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 5.3 t0 -116.76 173.21 6.76 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.525 1.141 . . . . 0.0 109.277 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -90.79 17.57 7.55 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.532 1.145 . . . . 0.0 110.321 179.94 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 81.3 p -121.96 6.76 9.81 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.452 1.095 . . . . 0.0 110.413 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 24.3 mt-30 -108.19 170.56 7.93 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.479 1.112 . . . . 0.0 110.331 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 20.5 mt -110.85 142.98 42.15 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.453 1.095 . . . . 0.0 109.292 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 8.5 p -113.66 129.03 56.64 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.509 1.131 . . . . 0.0 110.026 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . 0.46 ' CB ' HD12 ' A' ' 32' ' ' ILE . 2.1 p90 -138.73 -178.96 5.54 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.456 1.097 . . . . 0.0 111.007 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -126.23 142.19 51.62 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.558 1.162 . . . . 0.0 109.317 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 9.2 ttt180 -38.89 118.1 0.73 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.435 1.084 . . . . 0.0 110.308 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 109.0 -31.17 7.93 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.483 1.114 . . . . 0.0 110.988 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -47.24 130.72 13.1 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.536 0.786 . . . . 0.0 110.26 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 45.0 mmtt -76.99 103.21 6.79 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.522 1.139 . . . . 0.0 109.317 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.46 HD12 ' CB ' ' A' ' 26' ' ' PHE . 4.7 mm -95.59 144.64 9.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.535 1.147 . . . . 0.0 109.331 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.476 ' CD1' ' HA3' ' A' ' 7' ' ' GLY . 0.2 OUTLIER -107.13 125.17 50.72 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.515 1.134 . . . . 0.0 109.308 -179.969 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.546 ' CD1' ' CD1' ' A' ' 54' ' ' ILE . 35.0 mm -101.65 100.7 10.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.522 1.139 . . . . 0.0 109.306 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.5 ' CD2' ' C ' ' A' ' 45' ' ' GLY . 0.4 OUTLIER -71.18 -67.5 0.51 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.472 1.108 . . . . 0.0 109.278 -179.997 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 12.7 mmt85 -127.1 168.46 14.59 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.453 1.096 . . . . 0.0 110.325 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . 0.436 ' O ' ' N ' ' A' ' 39' ' ' THR . 57.7 mt-30 -100.13 -31.29 11.48 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.461 1.1 . . . . 0.0 110.302 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 10.0 m 67.9 -66.77 0.21 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.526 1.141 . . . . 0.0 110.405 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' THR . . . . . 0.436 ' N ' ' O ' ' A' ' 37' ' ' GLN . 3.3 p -123.41 -80.05 0.62 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.43 1.081 . . . . 0.0 110.345 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . 0.411 ' O ' ' NE1' ' A' ' 43' ' ' TRP . . . 176.87 -42.25 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.519 1.137 . . . . 0.0 109.3 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -82.72 -35.42 26.7 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.455 1.097 . . . . 0.0 109.317 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 93.2 m95 -113.73 124.81 53.18 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.485 1.115 . . . . 0.0 108.003 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' TRP . . . . . 0.411 ' NE1' ' O ' ' A' ' 40' ' ' ALA . 46.7 m0 -111.86 161.53 16.27 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 107.954 -1.128 . . . . 0.0 107.954 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' TRP . . . . . 0.439 ' CE3' ' CD2' ' A' ' 53' ' ' TYR . 68.9 t-105 -108.3 109.38 20.71 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.492 1.12 . . . . 0.0 108.003 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . 0.5 ' C ' ' CD2' ' A' ' 35' ' ' LEU . . . -105.36 -172.75 24.05 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.556 1.16 . . . . 0.0 111.004 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . 0.47 ' CB ' HD23 ' A' ' 35' ' ' LEU . 22.1 tt0 -152.02 120.65 6.49 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.464 0.743 . . . . 0.0 110.355 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -92.88 -173.7 3.38 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.473 1.108 . . . . 0.0 110.269 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -60.93 103.14 0.24 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.527 1.142 . . . . 0.0 109.298 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 62.3 9.08 21.48 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.485 1.116 . . . . 0.0 110.958 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -114.74 160.39 19.46 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 108.326 -0.99 . . . . 0.0 108.326 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 12.0 p -148.66 112.3 5.06 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.498 1.124 . . . . 0.0 108.296 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -148.37 -177.65 22.84 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.509 1.13 . . . . 0.0 111.018 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' TYR . . . . . 0.439 ' CD2' ' CE3' ' A' ' 44' ' ' TRP . 10.8 m-85 -94.53 151.05 19.65 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.559 0.799 . . . . 0.0 111.014 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . 0.546 ' CD1' ' CD1' ' A' ' 34' ' ' ILE . 2.6 pt -132.61 150.9 77.1 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.49 1.119 . . . . 0.0 109.289 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.94 175.77 10.78 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.477 1.777 . . . . 0.0 111.016 179.937 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -121.94 86.27 2.55 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.543 1.152 . . . . 0.0 109.291 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 4.6 t-20 169.38 -36.56 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.495 1.122 . . . . 0.0 109.308 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 80.0 m-70 -71.73 -25.03 61.89 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.541 1.151 . . . . 0.0 109.552 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 11.0 m -111.24 144.25 19.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.486 1.116 . . . . 0.0 109.309 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -154.56 -144.77 4.0 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.473 1.108 . . . . 0.0 111.008 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 11.1 tptt -127.11 98.56 5.35 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.475 0.75 . . . . 0.0 109.325 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 1.7 t60 -109.65 163.56 13.36 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.48 1.113 . . . . 0.0 109.591 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -138.7 114.14 9.67 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.473 1.108 . . . . 0.0 109.988 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 163.64 151.25 6.38 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.511 1.132 . . . . 0.0 111.029 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 155.66 43.01 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.495 1.787 . . . . 0.0 110.986 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 9.8 t -169.06 81.47 0.13 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.545 1.153 . . . . 0.0 109.982 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -165.73 156.86 13.79 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.517 1.136 . . . . 0.0 110.006 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.983 0 O-C-N 124.529 1.143 . . . . 0.0 111.049 -179.958 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.014 0 N-CA-C 110.934 -0.867 . . . . 0.0 110.934 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 60.4 p -109.85 90.83 3.42 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.502 0.766 . . . . 0.0 110.019 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 46.3 m -98.18 115.23 27.88 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.517 1.136 . . . . 0.0 109.981 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 79.61 122.03 0.38 Allowed Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.494 1.121 . . . . 0.0 111.024 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 37.2 m -80.12 162.75 24.59 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.442 0.731 . . . . 0.0 110.041 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.1 m 61.48 75.58 0.4 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.507 1.129 . . . . 0.0 110.022 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . 0.462 ' HA3' ' CD1' ' A' ' 33' ' ' LEU . . . 60.86 -176.02 4.66 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.488 1.118 . . . . 0.0 110.974 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 24.0 mt-10 -116.42 125.92 52.7 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.514 0.773 . . . . 0.0 110.253 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . 0.483 ' OE1' ' CG ' ' A' ' 31' ' ' LYS . 0.0 OUTLIER -83.64 109.64 17.61 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.499 1.124 . . . . 0.0 110.28 179.972 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 11.4 m-85 -112.87 156.71 22.46 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.482 1.114 . . . . 0.0 111.021 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 2.1 t -116.71 140.05 40.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.522 1.139 . . . . 0.0 109.345 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . 0.503 ' HB3' ' CD1' ' A' ' 26' ' ' PHE . . . -71.87 118.11 14.32 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.518 1.136 . . . . 0.0 109.293 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 3.0 pt -71.21 -13.59 17.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.543 1.152 . . . . 0.0 109.272 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -168.7 141.93 2.95 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.485 1.115 . . . . 0.0 109.279 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 1.9 p-10 -59.15 143.75 47.89 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.521 1.138 . . . . 0.0 109.275 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 30.6 t80 -133.56 161.79 33.66 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.492 1.12 . . . . 0.0 110.999 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -131.59 107.98 9.21 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.485 1.116 . . . . 0.0 109.311 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -53.01 123.03 10.54 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.55 1.156 . . . . 0.0 109.306 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -82.51 -22.7 34.95 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.534 1.146 . . . . 0.0 110.432 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -120.04 -177.63 3.46 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.502 1.127 . . . . 0.0 109.315 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 7.5 pt-20 -98.06 17.8 17.57 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.51 1.131 . . . . 0.0 110.298 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 81.2 p -118.1 -5.12 10.96 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.492 1.12 . . . . 0.0 110.381 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 37.4 mt-30 -103.61 159.77 15.32 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.486 1.116 . . . . 0.0 110.279 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 18.2 mt -106.83 144.01 34.09 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.534 1.146 . . . . 0.0 109.28 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' SER . . . . . 0.431 ' O ' ' NE ' ' A' ' 47' ' ' ARG . 13.3 p -112.71 133.08 54.9 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.456 1.097 . . . . 0.0 109.993 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . 0.503 ' CD1' ' HB3' ' A' ' 12' ' ' ALA . 2.2 p90 -143.76 176.59 9.13 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.493 1.12 . . . . 0.0 110.999 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -119.92 142.63 48.55 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.518 1.136 . . . . 0.0 109.289 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 4.9 ttt-85 -41.16 112.3 0.29 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.444 1.09 . . . . 0.0 110.295 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 118.05 -37.76 3.15 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.521 1.138 . . . . 0.0 110.964 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -40.72 131.81 2.31 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.502 0.766 . . . . 0.0 110.322 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.483 ' CG ' ' OE1' ' A' ' 9' ' ' GLU . 0.4 OUTLIER -77.35 102.92 7.0 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.499 1.125 . . . . 0.0 109.25 -179.962 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.464 HD13 ' CB ' ' A' ' 26' ' ' PHE . 4.7 mm -96.0 149.18 4.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.488 1.118 . . . . 0.0 109.262 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.462 ' CD1' ' HA3' ' A' ' 7' ' ' GLY . 0.1 OUTLIER -114.24 124.86 53.08 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.474 1.108 . . . . 0.0 109.339 179.977 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.523 ' CD1' ' CD1' ' A' ' 54' ' ' ILE . 15.1 mm -99.88 102.4 13.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.558 1.161 . . . . 0.0 109.282 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.461 HD23 ' CB ' ' A' ' 46' ' ' GLU . 3.0 mm? -71.64 -68.23 0.47 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.127 . . . . 0.0 109.282 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 14.9 mtp180 -123.2 168.78 12.0 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.524 1.14 . . . . 0.0 110.319 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . 0.418 ' O ' ' N ' ' A' ' 39' ' ' THR . 40.0 mt-30 -97.37 -28.56 13.97 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.506 1.129 . . . . 0.0 110.277 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 28.7 m 67.25 -68.57 0.15 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.495 1.122 . . . . 0.0 110.362 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' THR . . . . . 0.418 ' N ' ' O ' ' A' ' 37' ' ' GLN . 51.2 p -130.21 -78.66 0.54 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.528 1.143 . . . . 0.0 110.368 -179.959 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . 0.429 ' O ' ' CB ' ' A' ' 56' ' ' ALA . . . 176.49 -37.37 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.509 1.131 . . . . 0.0 109.263 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 22.7 m-20 -91.34 -18.01 24.97 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.475 1.11 . . . . 0.0 109.282 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 94.3 m95 -130.78 123.04 28.29 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.502 1.126 . . . . 0.0 108.012 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' TRP . . . . . 0.424 ' CE2' ' HB3' ' A' ' 56' ' ' ALA . 45.6 m0 -112.38 163.65 14.18 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.507 1.129 . . . . 0.0 107.974 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' TRP . . . . . 0.405 ' CE3' ' CD2' ' A' ' 53' ' ' TYR . 67.5 t-105 -112.66 115.0 27.87 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 107.969 -1.123 . . . . 0.0 107.969 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -113.19 -179.24 19.4 Favored Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.529 1.143 . . . . 0.0 110.982 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . 0.461 ' CB ' HD23 ' A' ' 35' ' ' LEU . 40.5 tt0 -140.56 120.73 13.82 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.509 0.77 . . . . 0.0 110.277 -179.959 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . 0.431 ' NE ' ' O ' ' A' ' 25' ' ' SER . 0.0 OUTLIER -92.14 -174.43 3.75 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.464 1.103 . . . . 0.0 110.282 -179.988 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -62.02 102.97 0.32 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.446 1.091 . . . . 0.0 109.278 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 62.42 8.16 17.9 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.53 1.144 . . . . 0.0 110.991 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 1.3 m -115.07 161.63 18.11 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 108.326 -0.991 . . . . 0.0 108.326 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 12.8 p -148.5 111.53 4.87 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.479 1.112 . . . . 0.0 108.317 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -148.58 -176.97 22.44 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.487 1.117 . . . . 0.0 111.009 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' TYR . . . . . 0.405 ' CD2' ' CE3' ' A' ' 44' ' ' TRP . 11.3 m-85 -91.1 162.5 14.65 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.536 0.786 . . . . 0.0 110.998 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . 0.523 ' CD1' ' CD1' ' A' ' 34' ' ' ILE . 4.0 pt -145.83 149.65 40.25 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.518 1.136 . . . . 0.0 109.306 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 155.69 42.99 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.524 1.802 . . . . 0.0 110.988 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . 0.429 ' CB ' ' O ' ' A' ' 40' ' ' ALA . . . -100.63 80.78 2.23 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.129 . . . . 0.0 109.303 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 2.4 t30 173.56 -47.61 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.497 1.123 . . . . 0.0 109.312 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 1.7 m-70 -58.18 -19.91 36.95 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.445 1.091 . . . . 0.0 109.597 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 7.7 m -115.13 144.79 21.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.426 1.079 . . . . 0.0 109.297 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -170.34 111.96 0.44 Allowed Glycine 0 CA--C 1.529 0.943 0 O-C-N 124.505 1.128 . . . . 0.0 111.002 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -116.61 97.9 6.25 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.467 0.746 . . . . 0.0 109.276 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -118.78 113.95 21.92 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.517 1.136 . . . . 0.0 109.621 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -58.05 95.87 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.473 1.108 . . . . 0.0 109.953 -179.95 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -161.82 156.87 28.52 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.527 1.142 . . . . 0.0 111.043 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 115.12 4.18 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.485 1.781 . . . . 0.0 111.002 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 16.8 m -152.84 -68.22 0.16 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.483 1.115 . . . . 0.0 110.033 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 90.1 p -74.05 90.03 1.97 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.489 1.118 . . . . 0.0 110.013 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.991 0 O-C-N 124.486 1.116 . . . . 0.0 111.032 179.97 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.948 0 N-CA-C 111.041 -0.824 . . . . 0.0 111.041 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 74.3 m -111.45 100.98 9.45 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.449 0.734 . . . . 0.0 109.997 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -162.37 -58.22 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.485 1.116 . . . . 0.0 110.021 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 136.28 63.14 0.06 OUTLIER Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.49 1.118 . . . . 0.0 111.027 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.1 t -106.39 148.8 27.67 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.47 0.747 . . . . 0.0 110.0 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 38.2 m -116.64 104.8 11.74 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.48 1.112 . . . . 0.0 109.98 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . 0.435 ' HA3' ' CD1' ' A' ' 33' ' ' LEU . . . -179.07 165.47 34.4 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.51 1.131 . . . . 0.0 111.012 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -110.14 117.22 33.13 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.467 0.745 . . . . 0.0 110.316 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . 0.456 ' HG3' ' CD2' ' A' ' 33' ' ' LEU . 0.4 OUTLIER -80.28 133.47 35.97 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.442 1.089 . . . . 0.0 110.298 -179.966 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 7.3 m-85 -140.14 161.37 37.79 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.526 1.141 . . . . 0.0 111.034 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 2.0 t -120.27 139.15 48.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.52 1.138 . . . . 0.0 109.306 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -74.57 121.34 21.42 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.511 1.132 . . . . 0.0 109.261 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . 0.41 ' CG1' ' O ' ' A' ' 58' ' ' HIS . 3.1 pt -80.24 1.67 2.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.465 1.103 . . . . 0.0 109.296 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -171.99 155.73 3.87 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.45 1.094 . . . . 0.0 109.286 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 6.5 p-10 -75.3 135.23 40.92 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.515 1.135 . . . . 0.0 109.287 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . 0.44 ' OH ' ' NE2' ' A' ' 23' ' ' GLN . 61.2 t80 -126.6 163.57 23.15 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.513 1.133 . . . . 0.0 110.999 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . 0.407 ' N ' ' CG ' ' A' ' 16' ' ' TYR . . . -141.15 112.92 7.68 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.445 1.09 . . . . 0.0 109.334 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -53.05 133.22 38.71 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.548 1.155 . . . . 0.0 109.298 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 15.9 p -100.22 -16.79 17.63 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.559 1.162 . . . . 0.0 110.36 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -120.05 177.61 4.93 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.49 1.119 . . . . 0.0 109.269 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 9.0 pt-20 -93.55 17.19 12.04 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.435 1.084 . . . . 0.0 110.301 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 60.1 p -129.54 21.1 5.59 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.522 1.139 . . . . 0.0 110.416 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . 0.44 ' NE2' ' OH ' ' A' ' 16' ' ' TYR . 60.8 mt-30 -122.4 170.04 10.36 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.565 1.166 . . . . 0.0 110.334 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 43.5 mt -120.34 144.54 47.8 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.516 1.135 . . . . 0.0 109.294 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 6.6 m -112.19 136.63 51.36 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.529 1.143 . . . . 0.0 110.022 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . 0.473 ' CB ' HD12 ' A' ' 32' ' ' ILE . 1.9 p90 -148.12 176.89 9.84 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.499 1.125 . . . . 0.0 110.969 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -120.26 150.51 40.58 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.511 1.132 . . . . 0.0 109.308 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 65.8 ttt180 -46.94 108.72 0.15 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.496 1.123 . . . . 0.0 110.275 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 121.38 -39.8 2.28 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.461 1.1 . . . . 0.0 110.991 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -39.69 132.54 1.64 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.481 0.753 . . . . 0.0 110.335 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.91 104.04 8.23 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.474 1.109 . . . . 0.0 109.304 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.473 HD12 ' CB ' ' A' ' 26' ' ' PHE . 4.6 mm -99.71 138.02 25.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.49 1.119 . . . . 0.0 109.293 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.456 ' CD2' ' HG3' ' A' ' 9' ' ' GLU . 0.2 OUTLIER -98.54 136.24 38.92 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.448 1.093 . . . . 0.0 109.3 -179.998 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.504 ' CD1' ' CD1' ' A' ' 54' ' ' ILE . 42.4 mm -109.05 79.03 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.489 1.118 . . . . 0.0 109.35 179.948 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 5.7 mp -46.63 -66.84 0.34 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.47 1.106 . . . . 0.0 109.276 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 4.7 mtp85 -137.87 179.0 6.69 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.458 1.099 . . . . 0.0 110.343 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 92.9 mt-30 -124.6 107.47 11.05 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.474 1.109 . . . . 0.0 110.324 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 6.4 m -41.96 -57.22 2.5 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.521 1.138 . . . . 0.0 110.379 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 81.6 p -144.29 -52.48 0.31 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.537 1.148 . . . . 0.0 110.418 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . 174.28 -35.43 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.547 1.154 . . . . 0.0 109.333 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -87.52 -42.13 12.98 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.555 1.159 . . . . 0.0 109.275 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 93.6 m95 -105.66 125.91 51.53 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.519 1.137 . . . . 0.0 108.027 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' TRP . . . . . 0.411 ' CE3' HG23 ' A' ' 34' ' ' ILE . 47.2 m0 -114.23 152.64 30.97 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.519 1.137 . . . . 0.0 108.008 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' TRP . . . . . 0.405 ' HZ3' ' CE2' ' A' ' 53' ' ' TYR . 71.2 t-105 -99.89 105.04 16.73 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.55 1.156 . . . . 0.0 108.006 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . 0.406 ' HA3' ' CD1' ' A' ' 54' ' ' ILE . . . -100.96 -177.5 29.27 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.513 1.133 . . . . 0.0 110.97 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 22.3 tt0 -150.81 120.44 6.98 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.498 0.763 . . . . 0.0 110.326 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -92.69 -174.14 3.55 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.51 1.131 . . . . 0.0 110.31 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -60.14 103.45 0.23 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.553 1.158 . . . . 0.0 109.289 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 62.91 7.64 17.64 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.472 1.107 . . . . 0.0 110.974 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' CYS . . . . . 0.401 ' C ' ' SG ' ' A' ' 51' ' ' CYS . 1.0 OUTLIER -114.97 160.35 19.67 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 108.328 -0.99 . . . . 0.0 108.328 179.989 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' CYS . . . . . 0.401 ' SG ' ' C ' ' A' ' 50' ' ' CYS . 5.6 m -148.63 113.02 5.28 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.431 1.082 . . . . 0.0 108.313 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -148.23 -177.03 22.21 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.514 1.134 . . . . 0.0 110.955 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' TYR . . . . . 0.405 ' CE2' ' HZ3' ' A' ' 44' ' ' TRP . 26.6 m-85 -91.13 159.8 15.9 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.485 0.756 . . . . 0.0 111.051 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . 0.504 ' CD1' ' CD1' ' A' ' 34' ' ' ILE . 3.3 pt -146.61 147.44 30.37 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.456 1.097 . . . . 0.0 109.331 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 164.04 34.07 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.464 1.77 . . . . 0.0 110.977 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -110.62 84.51 1.94 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.528 1.143 . . . . 0.0 109.315 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 2.6 t30 174.91 -38.96 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.521 1.138 . . . . 0.0 109.293 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' HIS . . . . . 0.41 ' O ' ' CG1' ' A' ' 13' ' ' ILE . 1.8 m-70 -70.2 -32.4 70.29 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.502 1.127 . . . . 0.0 109.583 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 19.5 m -104.68 157.57 5.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.518 1.137 . . . . 0.0 109.287 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 41.07 -121.56 2.08 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.435 1.085 . . . . 0.0 111.012 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 10.9 tptt 51.47 68.79 0.74 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.529 0.782 . . . . 0.0 109.288 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER 65.63 81.3 0.21 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.502 1.126 . . . . 0.0 109.565 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 9.5 m -70.41 95.73 1.07 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.46 1.1 . . . . 0.0 109.988 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -77.66 113.96 3.87 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.483 1.114 . . . . 0.0 110.961 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 74.22 4.09 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.49 1.784 . . . . 0.0 110.982 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 48.4 m -140.4 158.36 44.13 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.506 1.129 . . . . 0.0 109.993 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 65.2 m 63.38 144.75 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.524 1.14 . . . . 0.0 110.035 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.962 0 O-C-N 124.511 1.132 . . . . 0.0 111.052 -179.964 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.989 0 N-CA-C 111.002 -0.839 . . . . 0.0 111.002 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -51.36 119.0 3.65 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.539 0.788 . . . . 0.0 110.042 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -138.41 -59.2 0.63 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.454 1.096 . . . . 0.0 110.0 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 146.96 -93.85 0.16 Allowed Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.504 1.127 . . . . 0.0 111.019 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -43.97 112.95 0.45 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.514 0.773 . . . . 0.0 109.984 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 8.1 t -132.13 155.12 48.73 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.441 1.088 . . . . 0.0 109.98 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . 0.465 ' HA3' ' CD1' ' A' ' 33' ' ' LEU . . . 179.94 -163.94 31.42 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.436 1.085 . . . . 0.0 111.009 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -116.48 104.09 11.09 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.526 0.78 . . . . 0.0 110.35 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -74.68 123.2 24.46 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.495 1.122 . . . . 0.0 110.296 -179.953 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . 0.405 ' O ' ' N ' ' A' ' 32' ' ' ILE . 7.6 m-85 -132.86 158.12 43.32 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.478 1.111 . . . . 0.0 110.981 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 1.6 t -117.29 142.42 31.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.489 1.118 . . . . 0.0 109.318 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -72.28 118.7 15.49 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.518 1.136 . . . . 0.0 109.258 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . 0.413 ' N ' ' O ' ' A' ' 58' ' ' HIS . 1.5 pt -61.9 -14.5 11.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.547 1.154 . . . . 0.0 109.314 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . 0.472 ' HA ' ' CG ' ' A' ' 28' ' ' ARG . . . -166.39 179.75 5.42 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.469 1.105 . . . . 0.0 109.295 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 1.3 p30 -87.0 129.49 34.86 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.456 1.098 . . . . 0.0 109.331 179.936 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . 0.501 ' CG ' ' N ' ' A' ' 17' ' ' ALA . 77.9 t80 -122.13 170.83 9.48 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.481 1.113 . . . . 0.0 111.004 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . 0.501 ' N ' ' CG ' ' A' ' 16' ' ' TYR . . . -139.31 146.63 40.55 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.438 1.086 . . . . 0.0 109.295 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -89.69 121.83 32.23 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.504 1.128 . . . . 0.0 109.31 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 15.2 p -115.75 7.3 14.61 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.487 1.117 . . . . 0.0 110.411 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -123.04 -178.65 4.02 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.548 1.155 . . . . 0.0 109.273 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -103.76 14.99 29.82 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.524 1.14 . . . . 0.0 110.271 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 22.6 p -147.41 38.54 0.95 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.526 1.141 . . . . 0.0 110.405 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 86.0 mt-30 -131.42 164.88 24.75 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.469 1.105 . . . . 0.0 110.326 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 49.7 mt -117.84 142.93 46.76 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.486 1.116 . . . . 0.0 109.326 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 12.2 p -109.54 128.97 55.58 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.52 1.137 . . . . 0.0 109.981 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . 0.463 ' CE1' ' HB3' ' A' ' 16' ' ' TYR . 1.8 p90 -138.69 178.77 6.91 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.532 1.145 . . . . 0.0 110.99 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -123.21 145.12 48.91 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.484 1.115 . . . . 0.0 109.3 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . 0.472 ' CG ' ' HA ' ' A' ' 14' ' ' ALA . 5.2 ttt85 -43.81 107.74 0.09 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.458 1.099 . . . . 0.0 110.324 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 123.25 -35.98 3.19 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.518 1.136 . . . . 0.0 110.982 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -43.97 132.87 5.24 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.48 0.753 . . . . 0.0 110.307 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.06 103.98 11.24 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.514 1.134 . . . . 0.0 109.315 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.405 ' N ' ' O ' ' A' ' 10' ' ' PHE . 4.3 mm -94.75 128.73 45.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.487 1.117 . . . . 0.0 109.271 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.465 ' CD1' ' HA3' ' A' ' 7' ' ' GLY . 0.2 OUTLIER -90.25 117.91 29.36 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.517 1.136 . . . . 0.0 109.303 179.954 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.458 ' CD1' HD13 ' A' ' 54' ' ' ILE . 13.3 mm -93.37 105.5 16.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.522 1.139 . . . . 0.0 109.293 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.476 HD21 ' CB ' ' A' ' 46' ' ' GLU . 2.5 mm? -79.13 -65.22 1.03 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.459 1.1 . . . . 0.0 109.323 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 7.1 ttt180 -126.81 141.45 51.82 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.486 1.117 . . . . 0.0 110.311 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . 0.44 ' O ' ' N ' ' A' ' 39' ' ' THR . 80.4 mt-30 -79.67 -15.58 57.31 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.448 1.093 . . . . 0.0 110.329 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 72.3 m 63.89 -76.78 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.523 1.139 . . . . 0.0 110.382 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' THR . . . . . 0.44 ' N ' ' O ' ' A' ' 37' ' ' GLN . 72.6 p -123.77 -69.56 0.81 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.506 1.128 . . . . 0.0 110.393 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . 170.4 -33.53 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.461 1.101 . . . . 0.0 109.31 -179.935 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 1.5 t0 -88.54 -28.19 20.93 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.509 1.131 . . . . 0.0 109.256 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' TRP . . . . . 0.402 ' O ' ' O ' ' A' ' 37' ' ' GLN . 88.7 m95 -124.95 128.23 48.27 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.507 1.129 . . . . 0.0 107.981 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' TRP . . . . . 0.405 ' O ' ' N ' ' A' ' 54' ' ' ILE . 46.9 m0 -112.87 156.64 22.58 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 108.007 -1.109 . . . . 0.0 108.007 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' TRP . . . . . 0.433 ' CE3' ' CD2' ' A' ' 53' ' ' TYR . 63.7 t-105 -109.22 117.29 33.74 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.501 1.126 . . . . 0.0 107.983 -179.95 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -115.24 -178.25 18.66 Favored Glycine 0 CA--C 1.529 0.935 0 O-C-N 124.48 1.113 . . . . 0.0 111.034 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . 0.476 ' CB ' HD21 ' A' ' 35' ' ' LEU . 45.5 tt0 -141.16 120.65 13.21 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.46 0.741 . . . . 0.0 110.28 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -92.3 -173.69 3.49 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.464 1.102 . . . . 0.0 110.293 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -62.99 103.03 0.41 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.479 1.112 . . . . 0.0 109.281 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 62.28 8.47 18.61 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.483 1.114 . . . . 0.0 111.041 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 1.1 m -115.03 161.3 18.53 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 108.314 -0.995 . . . . 0.0 108.314 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 12.5 p -148.53 111.59 4.88 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.488 1.117 . . . . 0.0 108.32 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -148.59 -176.9 22.39 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.507 1.129 . . . . 0.0 110.992 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' TYR . . . . . 0.433 ' CD2' ' CE3' ' A' ' 44' ' ' TRP . 4.1 m-85 -91.53 173.96 7.62 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.49 0.759 . . . . 0.0 111.018 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . 0.458 HD13 ' CD1' ' A' ' 34' ' ' ILE . 7.4 pt -156.76 148.04 16.79 Favored Pre-proline 0 C--N 1.324 -0.515 0 O-C-N 124.463 1.102 . . . . 0.0 109.324 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.01 155.19 42.87 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.473 1.775 . . . . 0.0 110.97 -179.948 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -99.38 78.32 2.19 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.532 1.145 . . . . 0.0 109.326 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 44.2 t-20 177.38 -41.86 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.505 1.128 . . . . 0.0 109.28 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' HIS . . . . . 0.413 ' O ' ' N ' ' A' ' 13' ' ' ILE . 3.3 m80 -64.23 -19.84 65.64 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.564 1.165 . . . . 0.0 109.614 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 10.0 m -116.97 146.31 21.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.517 1.136 . . . . 0.0 109.29 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -178.68 107.25 0.22 Allowed Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.496 1.123 . . . . 0.0 110.999 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 7.6 tptp -71.61 92.07 1.13 Allowed 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.532 0.784 . . . . 0.0 109.282 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 7.6 m-70 -145.07 84.51 1.71 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.491 1.119 . . . . 0.0 109.593 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 52.44 174.68 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.496 1.122 . . . . 0.0 110.026 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 155.63 -86.52 0.13 Allowed Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.54 1.15 . . . . 0.0 110.972 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 143.24 28.91 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.451 1.763 . . . . 0.0 111.03 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 96.3 p -116.67 71.77 0.8 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.514 1.133 . . . . 0.0 109.965 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 18.1 p -143.96 118.54 9.76 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.513 1.133 . . . . 0.0 110.008 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.015 0 O-C-N 124.492 1.12 . . . . 0.0 110.98 -179.984 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.025 0 N-CA-C 110.958 -0.857 . . . . 0.0 110.958 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -165.0 -57.78 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.532 0.784 . . . . 0.0 110.037 179.939 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 5.3 t -163.56 -59.23 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.492 1.12 . . . . 0.0 109.983 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 131.51 -164.27 23.53 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.506 1.129 . . . . 0.0 110.963 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 60.1 p -82.38 124.72 30.28 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.508 0.769 . . . . 0.0 109.983 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -46.19 -56.37 5.79 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.478 1.112 . . . . 0.0 109.998 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . 0.484 ' HA3' ' CD1' ' A' ' 33' ' ' LEU . . . 163.1 175.37 34.05 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.495 1.122 . . . . 0.0 111.022 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -123.43 107.18 11.31 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.485 0.756 . . . . 0.0 110.3 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . 0.455 ' HG3' ' CD2' ' A' ' 33' ' ' LEU . 0.3 OUTLIER -72.35 122.34 21.01 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.491 1.119 . . . . 0.0 110.279 179.973 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . 0.599 ' CD2' ' O ' ' A' ' 60' ' ' GLY . 5.6 m-85 -128.6 169.94 13.82 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.467 1.104 . . . . 0.0 110.999 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . 0.467 ' CG2' ' HE2' ' A' ' 31' ' ' LYS . 1.9 t -127.2 137.47 57.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.494 1.121 . . . . 0.0 109.295 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -71.09 118.34 13.74 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.5 1.125 . . . . 0.0 109.266 -179.946 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . 0.422 ' CG1' ' O ' ' A' ' 58' ' ' HIS . 2.6 pt -71.27 -12.7 16.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.512 1.132 . . . . 0.0 109.313 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -169.74 145.59 3.08 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.516 1.135 . . . . 0.0 109.303 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 2.5 p-10 -55.63 141.27 38.32 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.542 1.151 . . . . 0.0 109.285 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . 0.402 ' HB2' ' CD2' ' A' ' 58' ' ' HIS . 43.2 t80 -129.94 158.4 39.63 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.472 1.107 . . . . 0.0 111.016 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -132.19 114.5 14.55 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.505 1.128 . . . . 0.0 109.281 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -53.89 127.22 25.28 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.457 1.098 . . . . 0.0 109.32 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -83.14 -19.34 36.85 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.458 1.099 . . . . 0.0 110.368 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -126.95 178.86 5.71 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.462 1.101 . . . . 0.0 109.34 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 4.8 pt-20 -92.36 15.76 13.19 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.492 1.12 . . . . 0.0 110.302 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 70.5 p -121.81 10.36 10.24 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.506 1.129 . . . . 0.0 110.381 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . 0.427 ' NE2' ' CH2' ' A' ' 42' ' ' TRP . 70.6 mt-30 -111.85 160.92 16.91 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.516 1.135 . . . . 0.0 110.3 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 32.2 mt -104.75 142.41 34.76 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.526 1.141 . . . . 0.0 109.311 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 13.1 p -114.58 133.94 55.43 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.561 1.163 . . . . 0.0 110.021 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . 0.555 ' CD2' HD13 ' A' ' 32' ' ' ILE . 2.9 p90 -144.26 -178.92 6.2 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.526 1.141 . . . . 0.0 110.962 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -123.66 143.96 49.93 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.494 1.121 . . . . 0.0 109.296 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 7.6 ttt180 -42.15 114.7 0.58 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.509 1.13 . . . . 0.0 110.266 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 116.54 -32.21 5.64 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.47 1.106 . . . . 0.0 111.009 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -48.97 133.15 18.41 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.48 0.753 . . . . 0.0 110.303 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.467 ' HE2' ' CG2' ' A' ' 11' ' ' VAL . 9.6 mmtp -76.91 98.61 4.95 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.505 1.128 . . . . 0.0 109.28 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.555 HD13 ' CD2' ' A' ' 26' ' ' PHE . 5.8 mm -91.89 130.82 40.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.464 1.103 . . . . 0.0 109.296 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.484 ' CD1' ' HA3' ' A' ' 7' ' ' GLY . 0.2 OUTLIER -92.63 127.34 38.09 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.517 1.136 . . . . 0.0 109.321 -179.998 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.587 ' CD1' ' CD1' ' A' ' 54' ' ' ILE . 41.9 mm -100.72 80.35 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.448 1.093 . . . . 0.0 109.306 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.458 ' CD2' ' HB2' ' A' ' 46' ' ' GLU . 5.1 mp -48.13 -67.27 0.29 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.523 1.14 . . . . 0.0 109.297 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 7.5 mmm180 -137.28 174.5 10.54 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.454 1.096 . . . . 0.0 110.325 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . 0.407 ' O ' ' C ' ' A' ' 38' ' ' THR . 15.6 mt-30 -128.44 65.79 1.4 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.562 1.164 . . . . 0.0 110.316 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' THR . . . . . 0.407 ' C ' ' O ' ' A' ' 37' ' ' GLN . 19.6 m -38.44 -40.03 0.52 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.464 1.102 . . . . 0.0 110.436 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 44.7 p -139.52 -178.41 5.38 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.5 1.125 . . . . 0.0 110.394 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -98.64 5.1 47.98 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.536 1.148 . . . . 0.0 109.271 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -118.27 -40.17 2.97 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.511 1.132 . . . . 0.0 109.298 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' TRP . . . . . 0.427 ' CH2' ' NE2' ' A' ' 23' ' ' GLN . 93.5 m95 -120.05 126.76 51.57 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.537 1.148 . . . . 0.0 107.962 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 45.9 m0 -110.74 153.79 24.8 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.55 1.156 . . . . 0.0 108.008 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' TRP . . . . . 0.401 ' HZ3' ' CD2' ' A' ' 53' ' ' TYR . 72.6 t-105 -100.06 105.7 17.38 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.502 1.126 . . . . 0.0 108.01 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -102.83 -165.38 26.04 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.46 1.1 . . . . 0.0 111.009 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . 0.458 ' HB2' ' CD2' ' A' ' 35' ' ' LEU . 19.9 tt0 -162.31 120.71 2.21 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.53 0.782 . . . . 0.0 110.258 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 2.4 mmm180 -92.91 -173.86 3.42 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.484 1.115 . . . . 0.0 110.252 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -60.38 103.5 0.24 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.55 1.156 . . . . 0.0 109.284 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 62.9 7.83 18.7 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.538 1.148 . . . . 0.0 111.055 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' CYS . . . . . 0.411 ' C ' ' SG ' ' A' ' 51' ' ' CYS . 1.2 m -114.86 158.42 21.96 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 108.328 -0.99 . . . . 0.0 108.328 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' CYS . . . . . 0.411 ' SG ' ' C ' ' A' ' 50' ' ' CYS . 4.0 m -148.37 112.8 5.29 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.474 1.109 . . . . 0.0 108.354 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -148.42 -177.95 23.13 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.486 1.116 . . . . 0.0 110.964 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' TYR . . . . . 0.401 ' CD2' ' HZ3' ' A' ' 44' ' ' TRP . 2.5 m-85 -91.68 143.51 26.47 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.462 0.743 . . . . 0.0 111.016 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . 0.587 ' CD1' ' CD1' ' A' ' 34' ' ' ILE . 3.5 pt -126.17 150.56 70.07 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.475 1.11 . . . . 0.0 109.321 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.07 165.48 31.12 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.545 1.813 . . . . 0.0 110.943 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -113.45 81.01 1.44 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.515 1.134 . . . . 0.0 109.331 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 3.1 t30 176.66 -40.45 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.514 1.134 . . . . 0.0 109.326 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' HIS . . . . . 0.422 ' O ' ' CG1' ' A' ' 13' ' ' ILE . 54.2 m80 -68.15 -23.19 64.85 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.506 1.129 . . . . 0.0 109.608 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 13.8 m -114.1 151.99 15.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.529 1.143 . . . . 0.0 109.286 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . 0.599 ' O ' ' CD2' ' A' ' 10' ' ' PHE . . . -158.26 -123.18 0.72 Allowed Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.508 1.13 . . . . 0.0 111.014 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . 0.431 ' HD3' ' N ' ' A' ' 61' ' ' LYS . 0.3 OUTLIER -170.11 140.33 1.95 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.499 0.764 . . . . 0.0 109.267 -179.992 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -168.68 124.6 0.96 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.495 1.122 . . . . 0.0 109.591 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 26.0 t -99.72 144.65 28.55 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.508 1.13 . . . . 0.0 110.007 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -136.93 -175.89 14.05 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.471 1.107 . . . . 0.0 110.984 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 109.12 2.87 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.485 1.782 . . . . 0.0 110.997 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 52.6 p -66.43 164.81 15.53 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.509 1.131 . . . . 0.0 110.038 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 60.5 p -119.24 106.38 12.28 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.511 1.132 . . . . 0.0 110.011 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.022 0 O-C-N 124.507 1.129 . . . . 0.0 110.989 179.975 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.959 0 N-CA-C 110.987 -0.845 . . . . 0.0 110.987 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 179.44 88.1 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.482 0.754 . . . . 0.0 109.981 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 70.4 m -157.3 109.09 2.37 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.495 1.122 . . . . 0.0 110.019 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -166.0 -87.48 0.07 OUTLIER Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.468 1.105 . . . . 0.0 111.038 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 85.6 p -90.6 112.83 24.69 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.469 0.746 . . . . 0.0 110.016 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 7.9 t -93.43 84.46 4.73 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.485 1.116 . . . . 0.0 110.025 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . 0.47 ' HA3' ' CD1' ' A' ' 33' ' ' LEU . . . 134.52 -178.21 18.62 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.486 1.116 . . . . 0.0 111.041 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -114.24 127.42 55.87 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.508 0.769 . . . . 0.0 110.288 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -89.47 107.66 19.2 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.521 1.138 . . . . 0.0 110.321 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 12.0 m-85 -106.88 160.44 15.51 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.508 1.13 . . . . 0.0 111.01 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . 0.461 ' CG2' ' HE2' ' A' ' 31' ' ' LYS . 2.3 t -115.09 134.6 57.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.52 1.138 . . . . 0.0 109.278 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -71.67 117.93 13.86 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.535 1.147 . . . . 0.0 109.249 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . 0.421 ' N ' ' O ' ' A' ' 58' ' ' HIS . 2.4 pt -60.26 -16.25 11.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.494 1.121 . . . . 0.0 109.259 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -172.57 156.58 3.66 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.469 1.106 . . . . 0.0 109.295 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -61.27 147.9 42.92 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.505 1.128 . . . . 0.0 109.296 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . 0.571 ' CD1' ' NE2' ' A' ' 58' ' ' HIS . 27.5 t80 -133.38 153.25 51.76 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.465 1.103 . . . . 0.0 111.015 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -126.22 109.71 12.62 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.455 1.097 . . . . 0.0 109.309 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -61.16 124.44 20.55 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.472 1.107 . . . . 0.0 109.261 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 71.7 p -85.45 -22.8 28.12 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.49 1.119 . . . . 0.0 110.429 179.945 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -118.39 -178.04 3.43 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.555 1.159 . . . . 0.0 109.326 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -97.54 16.47 20.26 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.482 1.113 . . . . 0.0 110.297 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 81.0 p -116.82 -5.68 11.53 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 0.0 110.422 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 78.0 mt-30 -102.72 154.16 19.44 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.466 1.104 . . . . 0.0 110.31 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 18.2 mt -104.16 137.15 42.51 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.5 1.125 . . . . 0.0 109.292 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 13.1 p -105.12 137.44 42.88 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 0.0 109.98 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . 0.45 ' CB ' HD12 ' A' ' 32' ' ' ILE . 1.4 p90 -147.54 174.24 11.92 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.527 1.142 . . . . 0.0 110.997 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -114.44 144.16 43.77 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.503 1.127 . . . . 0.0 109.292 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 6.9 ttp180 -42.32 119.58 1.42 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.452 1.095 . . . . 0.0 110.311 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 107.88 -33.64 6.16 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.521 1.138 . . . . 0.0 111.033 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 4.9 mt-10 -42.55 131.36 3.87 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.491 0.759 . . . . 0.0 110.284 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.461 ' HE2' ' CG2' ' A' ' 11' ' ' VAL . 0.0 OUTLIER -78.54 104.29 9.05 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.541 1.151 . . . . 0.0 109.267 -179.988 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.45 HD12 ' CB ' ' A' ' 26' ' ' PHE . 5.0 mm -95.46 134.57 32.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.527 1.142 . . . . 0.0 109.297 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.47 ' CD1' ' HA3' ' A' ' 7' ' ' GLY . 0.1 OUTLIER -92.43 130.63 38.05 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.484 1.115 . . . . 0.0 109.323 179.963 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.601 ' CD1' ' CD1' ' A' ' 54' ' ' ILE . 18.2 mm -107.42 96.59 4.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.56 1.163 . . . . 0.0 109.273 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.485 ' CD2' ' C ' ' A' ' 45' ' ' GLY . 0.9 OUTLIER -69.31 -65.32 0.73 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.444 1.09 . . . . 0.0 109.299 179.998 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -133.22 -177.54 4.57 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.522 1.139 . . . . 0.0 110.292 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . 0.401 ' O ' ' C ' ' A' ' 38' ' ' THR . 78.4 mt-30 -131.02 105.49 7.77 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.473 1.108 . . . . 0.0 110.306 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' THR . . . . . 0.401 ' C ' ' O ' ' A' ' 37' ' ' GLN . 18.9 m -38.59 -66.26 0.29 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.533 1.145 . . . . 0.0 110.43 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 60.6 p -134.05 -51.82 0.84 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.507 1.129 . . . . 0.0 110.442 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . 174.69 -35.56 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.454 1.096 . . . . 0.0 109.33 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -90.44 -33.99 15.78 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.543 1.152 . . . . 0.0 109.296 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 97.3 m95 -108.51 123.55 49.07 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 107.949 -1.13 . . . . 0.0 107.949 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' TRP . . . . . 0.414 ' CE2' ' HB2' ' A' ' 56' ' ' ALA . 46.4 m0 -114.13 150.86 33.48 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.496 1.122 . . . . 0.0 108.012 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' TRP . . . . . 0.403 ' HZ3' ' CE2' ' A' ' 53' ' ' TYR . 73.0 t-105 -100.2 105.83 17.46 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.47 1.106 . . . . 0.0 108.041 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . 0.485 ' C ' ' CD2' ' A' ' 35' ' ' LEU . . . -102.44 -165.14 26.41 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.479 1.112 . . . . 0.0 110.943 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 4.4 tt0 -156.95 120.64 4.22 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.472 0.748 . . . . 0.0 110.258 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . 0.457 ' CZ ' ' HA ' ' A' ' 47' ' ' ARG . 0.9 OUTLIER -90.89 -173.11 3.58 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.514 1.133 . . . . 0.0 110.288 179.976 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -60.83 102.3 0.19 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.538 1.149 . . . . 0.0 109.327 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 61.94 9.74 22.46 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.512 1.133 . . . . 0.0 110.956 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 1.3 m -115.02 164.5 14.07 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 108.314 -0.995 . . . . 0.0 108.314 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 7.5 m -148.91 112.28 4.98 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.531 1.145 . . . . 0.0 108.304 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -148.52 -176.84 22.28 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.472 1.107 . . . . 0.0 110.976 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' TYR . . . . . 0.403 ' CE2' ' HZ3' ' A' ' 44' ' ' TRP . 30.3 m-85 -87.44 169.68 12.02 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.506 0.768 . . . . 0.0 111.005 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . 0.601 ' CD1' ' CD1' ' A' ' 34' ' ' ILE . 3.6 pt -158.11 147.39 14.84 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.487 1.117 . . . . 0.0 109.314 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . 0.565 ' HG2' ' CD2' ' A' ' 58' ' ' HIS . 18.3 Cg_endo -75.01 162.09 37.66 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.491 1.784 . . . . 0.0 111.009 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . 0.414 ' HB2' ' CE2' ' A' ' 43' ' ' TRP . . . -101.47 23.24 11.37 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.498 1.124 . . . . 0.0 109.347 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 53.2 m-80 -122.48 -45.84 2.18 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.508 1.13 . . . . 0.0 109.319 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' HIS . . . . . 0.571 ' NE2' ' CD1' ' A' ' 16' ' ' TYR . 4.4 m-70 -55.25 -26.15 37.97 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.515 1.134 . . . . 0.0 109.567 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 13.8 m -122.73 147.75 26.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.511 1.132 . . . . 0.0 109.348 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 150.6 -169.64 30.47 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.475 1.109 . . . . 0.0 111.046 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -91.2 165.34 13.52 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.522 0.778 . . . . 0.0 109.284 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 12.3 t-80 -111.55 -55.2 2.53 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.485 1.116 . . . . 0.0 109.566 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 50.9 m 62.63 136.52 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.478 1.111 . . . . 0.0 110.035 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 136.25 -145.62 17.55 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.467 1.105 . . . . 0.0 111.009 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 162.09 37.73 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.45 1.763 . . . . 0.0 111.032 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 79.2 p -123.07 156.42 34.93 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.489 1.118 . . . . 0.0 110.013 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 21.5 t -117.49 133.18 56.25 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.47 1.106 . . . . 0.0 110.016 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.034 0 O-C-N 124.512 1.132 . . . . 0.0 110.977 179.961 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.996 0 N-CA-C 110.978 -0.849 . . . . 0.0 110.978 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 51.0 m 65.99 108.75 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.498 0.763 . . . . 0.0 109.999 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 43.6 t -75.53 92.6 2.91 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.464 1.102 . . . . 0.0 109.999 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 117.81 -128.3 7.73 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.506 1.129 . . . . 0.0 111.003 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 17.9 m -69.73 160.18 32.15 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.542 0.79 . . . . 0.0 109.992 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 21.9 p -171.55 128.74 0.67 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.516 1.135 . . . . 0.0 110.024 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . 0.476 ' HA3' ' CD1' ' A' ' 33' ' ' LEU . . . 118.59 168.6 14.27 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.493 1.121 . . . . 0.0 111.041 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -122.19 105.86 10.62 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.476 0.751 . . . . 0.0 110.314 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -69.05 122.57 18.98 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.471 1.107 . . . . 0.0 110.34 179.949 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 6.3 m-85 -132.51 165.37 24.49 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.471 1.107 . . . . 0.0 110.971 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . 0.461 ' CG2' ' HE2' ' A' ' 31' ' ' LYS . 2.3 t -121.32 137.25 55.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.508 1.13 . . . . 0.0 109.304 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -71.07 117.92 13.19 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.544 1.153 . . . . 0.0 109.302 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . 0.431 ' N ' ' O ' ' A' ' 58' ' ' HIS . 2.5 pt -61.17 -21.1 23.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 0.0 109.289 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -165.96 150.66 8.3 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.526 1.142 . . . . 0.0 109.3 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -56.18 146.72 22.47 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.54 1.15 . . . . 0.0 109.288 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . 0.681 ' HH ' ' NE2' ' A' ' 23' ' ' GLN . 27.1 t80 -133.86 155.76 49.28 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.518 1.136 . . . . 0.0 110.953 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -129.54 110.54 11.93 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.507 1.129 . . . . 0.0 109.288 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -52.97 120.26 5.63 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.537 1.148 . . . . 0.0 109.353 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -79.36 -22.41 44.45 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.468 1.105 . . . . 0.0 110.412 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -122.22 -178.57 3.91 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.508 1.13 . . . . 0.0 109.32 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 2.1 pt-20 -97.54 18.0 16.42 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.537 1.148 . . . . 0.0 110.301 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 66.9 p -127.34 34.79 4.65 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.49 1.119 . . . . 0.0 110.387 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . 0.681 ' NE2' ' HH ' ' A' ' 16' ' ' TYR . 59.6 mt-30 -137.83 166.93 22.81 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.544 1.153 . . . . 0.0 110.233 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 14.0 mt -106.93 132.58 52.72 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.454 1.096 . . . . 0.0 109.303 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 12.5 p -104.7 129.1 52.94 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.531 1.144 . . . . 0.0 109.998 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . 0.563 ' CD2' HD13 ' A' ' 32' ' ' ILE . 3.2 p90 -139.69 -179.0 5.67 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.5 1.125 . . . . 0.0 111.033 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.4 ' O ' ' C ' ' A' ' 28' ' ' ARG . 0.1 OUTLIER -125.21 144.26 50.54 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.495 1.122 . . . . 0.0 109.3 -179.989 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . 0.4 ' C ' ' O ' ' A' ' 27' ' ' LEU . 3.5 ttp85 -38.76 118.4 0.75 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.504 1.127 . . . . 0.0 110.312 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . 0.425 ' HA2' ' CG1' ' A' ' 11' ' ' VAL . . . 107.7 -37.93 3.58 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.536 1.148 . . . . 0.0 110.953 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 4.6 mt-10 -38.67 129.64 1.45 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.494 0.761 . . . . 0.0 110.316 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.461 ' HE2' ' CG2' ' A' ' 11' ' ' VAL . 26.0 mmtt -75.98 102.62 5.69 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.52 1.137 . . . . 0.0 109.297 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.563 HD13 ' CD2' ' A' ' 26' ' ' PHE . 5.2 mm -94.98 127.16 47.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.557 1.161 . . . . 0.0 109.31 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.476 ' CD1' ' HA3' ' A' ' 7' ' ' GLY . 0.1 OUTLIER -88.59 117.87 27.85 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.467 1.105 . . . . 0.0 109.315 -179.99 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.563 ' CD1' ' CD1' ' A' ' 54' ' ' ILE . 43.0 mm -92.06 83.01 1.87 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.491 1.119 . . . . 0.0 109.309 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.46 ' CD2' ' HB2' ' A' ' 46' ' ' GLU . 5.5 mp -49.44 -68.61 0.16 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.546 1.154 . . . . 0.0 109.265 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 26.5 mtt180 -135.45 173.47 11.68 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.522 1.139 . . . . 0.0 110.314 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . 0.408 ' HG2' ' CE2' ' A' ' 43' ' ' TRP . 5.4 mp0 -131.36 68.42 1.49 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.522 1.139 . . . . 0.0 110.251 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' THR . . . . . 0.4 ' C ' ' O ' ' A' ' 37' ' ' GLN . 82.6 p -38.32 -44.5 0.9 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.5 1.125 . . . . 0.0 110.396 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 29.7 p -131.93 -177.69 4.55 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.533 1.146 . . . . 0.0 110.394 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -97.97 6.52 47.59 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.488 1.117 . . . . 0.0 109.267 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 7.5 m-20 -121.38 -42.06 2.47 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.451 1.094 . . . . 0.0 109.313 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 90.2 m95 -112.17 127.27 55.89 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 108.003 -1.11 . . . . 0.0 108.003 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' TRP . . . . . 0.408 ' CE2' ' HG2' ' A' ' 37' ' ' GLN . 45.0 m0 -113.98 151.86 31.74 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.532 1.145 . . . . 0.0 107.999 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' TRP . . . . . 0.4 ' HZ3' ' CD2' ' A' ' 53' ' ' TYR . 72.6 t-105 -99.91 104.79 16.45 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.499 1.124 . . . . 0.0 108.049 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -104.06 175.37 22.99 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.522 1.139 . . . . 0.0 110.955 -179.927 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . 0.46 ' HB2' ' CD2' ' A' ' 35' ' ' LEU . 21.5 tt0 -146.67 120.78 9.46 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.525 0.78 . . . . 0.0 110.332 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -94.59 -175.35 3.58 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.541 1.15 . . . . 0.0 110.302 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -57.96 103.25 0.13 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.458 1.099 . . . . 0.0 109.29 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 62.56 8.73 21.59 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.529 1.143 . . . . 0.0 111.005 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' CYS . . . . . 0.408 ' C ' ' SG ' ' A' ' 51' ' ' CYS . 1.2 m -114.71 155.0 27.46 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 108.293 -1.003 . . . . 0.0 108.293 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' CYS . . . . . 0.408 ' SG ' ' C ' ' A' ' 50' ' ' CYS . 3.7 m -148.24 111.95 5.07 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.499 1.124 . . . . 0.0 108.27 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -148.76 -176.91 22.53 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.488 1.117 . . . . 0.0 111.029 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' TYR . . . . . 0.4 ' CD2' ' HZ3' ' A' ' 44' ' ' TRP . 1.2 m-85 -94.15 143.99 25.89 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.539 0.787 . . . . 0.0 110.99 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . 0.563 ' CD1' ' CD1' ' A' ' 34' ' ' ILE . 4.7 pt -128.76 149.99 73.67 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.465 1.103 . . . . 0.0 109.29 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 166.64 28.78 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.5 1.79 . . . . 0.0 111.008 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -109.75 81.9 1.51 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.504 1.128 . . . . 0.0 109.328 180.0 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 27.6 t30 175.42 -41.48 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.453 1.096 . . . . 0.0 109.29 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' HIS . . . . . 0.431 ' O ' ' N ' ' A' ' 13' ' ' ILE . 12.5 m-70 -65.01 -22.68 67.03 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.527 1.142 . . . . 0.0 109.577 -179.922 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 14.5 m -112.97 147.47 16.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.541 1.151 . . . . 0.0 109.317 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 148.61 156.36 7.08 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.512 1.132 . . . . 0.0 111.024 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . 0.492 ' CD ' ' O ' ' A' ' 61' ' ' LYS . 0.0 OUTLIER -43.03 144.32 0.63 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.523 0.778 . . . . 0.0 109.333 -179.998 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 23.0 p80 -81.78 143.26 31.92 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.527 1.142 . . . . 0.0 109.614 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 3.2 m -127.23 149.4 50.01 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.47 1.106 . . . . 0.0 110.009 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -167.53 179.95 40.69 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.452 1.095 . . . . 0.0 110.99 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 150.18 37.68 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.479 1.778 . . . . 0.0 111.01 180.0 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 69.28 101.1 0.06 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.508 1.13 . . . . 0.0 110.021 -179.94 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 3.2 m 63.38 120.38 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.518 1.136 . . . . 0.0 109.995 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.976 0 O-C-N 124.476 1.11 . . . . 0.0 111.022 -179.994 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.982 0 N-CA-C 111.006 -0.837 . . . . 0.0 111.006 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -87.78 126.24 34.89 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.523 0.778 . . . . 0.0 110.016 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 15.0 m 62.77 80.1 0.24 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.547 1.155 . . . . 0.0 110.01 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 123.0 137.83 5.14 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.492 1.12 . . . . 0.0 111.008 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.3 m 64.46 96.66 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.512 0.772 . . . . 0.0 110.014 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 23.3 t -175.94 109.75 0.1 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.529 1.143 . . . . 0.0 110.03 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . 0.465 ' HA3' ' CD1' ' A' ' 33' ' ' LEU . . . 106.99 -175.74 20.81 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.529 1.143 . . . . 0.0 110.973 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 23.3 mt-10 -114.02 127.65 56.04 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.482 0.754 . . . . 0.0 110.28 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -87.66 109.35 19.61 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.477 1.111 . . . . 0.0 110.34 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . 0.477 ' CD2' ' O ' ' A' ' 60' ' ' GLY . 13.8 m-85 -110.7 161.18 16.01 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.506 1.129 . . . . 0.0 110.971 -179.95 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 2.3 t -119.49 136.49 56.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.471 1.107 . . . . 0.0 109.275 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -72.82 117.87 15.07 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.464 1.103 . . . . 0.0 109.29 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . 0.44 ' N ' ' O ' ' A' ' 58' ' ' HIS . 3.1 pt -61.17 -15.71 12.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.523 1.139 . . . . 0.0 109.276 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -170.13 152.18 4.16 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.514 1.134 . . . . 0.0 109.288 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -55.8 148.25 17.15 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.512 1.133 . . . . 0.0 109.273 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . 0.448 ' HB3' ' CE1' ' A' ' 26' ' ' PHE . 26.7 t80 -130.17 161.62 30.71 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.493 1.121 . . . . 0.0 111.07 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . 0.404 ' N ' ' CG ' ' A' ' 16' ' ' TYR . . . -135.76 107.65 7.1 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.532 1.145 . . . . 0.0 109.294 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -52.93 119.04 4.18 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.532 1.145 . . . . 0.0 109.304 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -78.01 -26.47 48.52 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.509 1.131 . . . . 0.0 110.407 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 1.3 t0 -118.32 -175.82 2.94 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.574 1.172 . . . . 0.0 109.302 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -100.22 17.97 19.95 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.527 1.142 . . . . 0.0 110.342 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 75.6 p -123.14 7.47 9.17 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.485 1.115 . . . . 0.0 110.389 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 64.8 mt-30 -108.26 166.83 10.46 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.476 1.11 . . . . 0.0 110.289 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.402 ' HB2' ' CG2' ' A' ' 54' ' ' ILE . 14.5 mt -111.74 126.94 55.59 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.531 1.144 . . . . 0.0 109.322 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 56.5 p -97.72 137.78 36.09 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.515 1.134 . . . . 0.0 110.023 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . 0.448 ' CE1' ' HB3' ' A' ' 16' ' ' TYR . 1.5 p90 -147.5 173.19 12.9 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.548 1.155 . . . . 0.0 111.032 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -116.75 143.3 45.83 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.5 1.125 . . . . 0.0 109.25 -179.95 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 4.1 ttp180 -40.1 120.12 1.13 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.464 1.103 . . . . 0.0 110.313 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 107.51 -31.65 7.87 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.465 1.103 . . . . 0.0 110.999 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 4.4 mt-10 -43.94 128.24 5.57 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.516 0.774 . . . . 0.0 110.283 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 10.2 mmtp -76.6 99.11 4.89 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.539 1.149 . . . . 0.0 109.352 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.445 HD11 ' CB ' ' A' ' 26' ' ' PHE . 5.4 mm -90.65 146.22 6.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.461 1.101 . . . . 0.0 109.33 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.465 ' CD1' ' HA3' ' A' ' 7' ' ' GLY . 0.1 OUTLIER -108.36 127.07 53.56 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.473 1.108 . . . . 0.0 109.35 179.944 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.538 ' CD1' ' CD1' ' A' ' 54' ' ' ILE . 22.3 mm -103.31 104.67 16.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.517 1.136 . . . . 0.0 109.297 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.465 HD21 ' CB ' ' A' ' 46' ' ' GLU . 2.7 mm? -76.6 -66.63 0.79 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.547 1.154 . . . . 0.0 109.336 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 3.7 mtt-85 -127.24 166.38 17.87 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.515 1.134 . . . . 0.0 110.293 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . 0.438 ' O ' ' N ' ' A' ' 39' ' ' THR . 56.2 mt-30 -102.36 -31.65 10.39 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.457 1.098 . . . . 0.0 110.321 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 26.5 m 66.31 -70.52 0.1 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.508 1.13 . . . . 0.0 110.427 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' THR . . . . . 0.438 ' N ' ' O ' ' A' ' 37' ' ' GLN . 2.4 p -115.56 -80.58 0.6 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.449 1.093 . . . . 0.0 110.365 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . 0.428 ' O ' ' NE1' ' A' ' 43' ' ' TRP . . . 176.55 -45.57 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.505 1.128 . . . . 0.0 109.291 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -80.89 -32.27 34.91 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.516 1.135 . . . . 0.0 109.305 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' TRP . . . . . 0.407 ' O ' ' O ' ' A' ' 37' ' ' GLN . 88.2 m95 -112.68 123.36 50.12 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.479 1.112 . . . . 0.0 108.019 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' TRP . . . . . 0.428 ' NE1' ' O ' ' A' ' 40' ' ' ALA . 47.4 m0 -113.05 161.71 16.75 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.503 1.127 . . . . 0.0 108.024 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 67.0 t-105 -111.67 114.52 27.59 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 107.955 -1.128 . . . . 0.0 107.955 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -111.06 -169.81 19.12 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.515 1.134 . . . . 0.0 111.027 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . 0.465 ' CB ' HD21 ' A' ' 35' ' ' LEU . 43.2 tt0 -150.25 120.76 7.42 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.502 0.766 . . . . 0.0 110.351 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -92.36 -172.89 3.24 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.496 1.123 . . . . 0.0 110.326 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -63.15 102.79 0.41 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.451 1.094 . . . . 0.0 109.337 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 62.54 8.4 19.79 Favored Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.516 1.135 . . . . 0.0 111.03 -179.932 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 1.3 m -115.06 161.78 17.89 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 108.307 -0.998 . . . . 0.0 108.307 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 11.8 p -148.69 112.22 5.03 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.435 1.084 . . . . 0.0 108.288 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -148.47 -176.89 22.28 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.496 1.122 . . . . 0.0 111.039 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 14.5 m-85 -91.14 160.51 15.53 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.518 0.775 . . . . 0.0 110.999 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . 0.538 ' CD1' ' CD1' ' A' ' 34' ' ' ILE . 4.8 pt -143.55 146.63 36.24 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 0.0 109.302 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 164.26 33.72 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.481 1.78 . . . . 0.0 111.011 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -110.59 82.47 1.6 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.514 1.134 . . . . 0.0 109.29 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 47.5 t30 177.14 -39.31 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.491 1.119 . . . . 0.0 109.323 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' HIS . . . . . 0.44 ' O ' ' N ' ' A' ' 13' ' ' ILE . 9.9 m-70 -67.69 -26.06 65.99 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.504 1.127 . . . . 0.0 109.584 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 11.2 m -110.28 144.59 18.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.504 1.128 . . . . 0.0 109.307 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . 0.477 ' O ' ' CD2' ' A' ' 10' ' ' PHE . . . -141.22 -92.89 0.2 Allowed Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.512 1.132 . . . . 0.0 110.99 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 4.2 tttt 62.93 98.43 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.495 0.762 . . . . 0.0 109.295 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 6.5 p-80 -160.87 153.79 21.2 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.498 1.123 . . . . 0.0 109.61 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -43.21 147.99 0.32 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.454 1.097 . . . . 0.0 110.022 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -162.26 159.61 31.76 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.526 1.142 . . . . 0.0 110.999 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.94 135.65 19.47 Favored 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.468 1.773 . . . . 0.0 111.031 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 17.8 t -137.29 156.57 48.11 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.441 1.088 . . . . 0.0 110.049 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 69.3 m -112.88 156.04 23.64 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.551 1.157 . . . . 0.0 110.011 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.032 0 O-C-N 124.487 1.117 . . . . 0.0 110.945 -179.98 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.011 0 N-CA-C 110.978 -0.849 . . . . 0.0 110.978 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 26.4 m -132.97 165.82 23.83 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.5 0.765 . . . . 0.0 109.999 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.7 t -111.45 140.23 46.22 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.518 1.136 . . . . 0.0 110.017 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -175.87 156.16 21.06 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.452 1.095 . . . . 0.0 111.04 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -132.91 -62.27 0.81 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.464 0.744 . . . . 0.0 110.01 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 60.0 p -143.88 157.57 44.27 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.493 1.121 . . . . 0.0 109.985 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . 0.475 ' HA3' ' CD1' ' A' ' 33' ' ' LEU . . . 134.72 -173.02 21.7 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.521 1.138 . . . . 0.0 111.019 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 -122.85 117.43 25.61 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.515 0.773 . . . . 0.0 110.328 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . 0.464 ' HG3' ' CD2' ' A' ' 33' ' ' LEU . 0.1 OUTLIER -76.84 108.19 9.69 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.513 1.133 . . . . 0.0 110.297 -179.997 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 10.3 m-85 -112.1 162.06 15.83 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.532 1.145 . . . . 0.0 111.033 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 2.4 t -122.53 138.14 53.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.523 1.139 . . . . 0.0 109.311 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -70.96 117.92 13.07 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.486 1.116 . . . . 0.0 109.33 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 3.0 pt -67.29 -14.14 17.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.472 1.108 . . . . 0.0 109.311 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -165.82 145.95 6.55 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.49 1.119 . . . . 0.0 109.314 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . 0.439 ' N ' ' OD1' ' A' ' 15' ' ' ASP . 0.1 OUTLIER -64.49 136.69 57.31 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.512 1.132 . . . . 0.0 109.296 -179.981 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 33.0 t80 -124.44 158.55 32.54 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.514 1.134 . . . . 0.0 111.023 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -125.11 112.8 16.92 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.515 1.135 . . . . 0.0 109.273 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -54.72 114.56 1.75 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.493 1.121 . . . . 0.0 109.337 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 16.3 p -102.48 5.19 39.38 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.128 . . . . 0.0 110.39 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 3.0 t0 -127.73 178.75 5.93 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.515 1.134 . . . . 0.0 109.265 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -100.77 5.75 43.67 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.503 1.127 . . . . 0.0 110.317 179.954 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 52.8 p -133.83 49.07 2.3 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.458 1.099 . . . . 0.0 110.423 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 91.2 mt-30 -145.1 167.27 23.13 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.49 1.119 . . . . 0.0 110.273 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 16.1 mt -114.77 144.48 43.41 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.438 1.087 . . . . 0.0 109.268 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 12.9 p -112.27 129.13 56.38 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.489 1.118 . . . . 0.0 110.011 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . 0.459 ' CB ' HD12 ' A' ' 32' ' ' ILE . 2.5 p90 -139.47 179.7 6.39 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.486 1.116 . . . . 0.0 111.041 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -124.15 144.96 49.6 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.516 1.135 . . . . 0.0 109.312 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . 0.438 ' CB ' ' OD1' ' A' ' 15' ' ' ASP . 3.5 ttt180 -43.65 113.17 0.47 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.514 1.134 . . . . 0.0 110.315 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 115.39 -29.11 7.48 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.525 1.14 . . . . 0.0 110.965 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -49.51 130.52 20.37 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.512 0.772 . . . . 0.0 110.295 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 9.3 mmtt -76.48 101.88 5.79 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.503 1.127 . . . . 0.0 109.328 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.459 HD12 ' CB ' ' A' ' 26' ' ' PHE . 5.2 mm -93.25 140.36 16.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.504 1.128 . . . . 0.0 109.286 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.475 ' CD1' ' HA3' ' A' ' 7' ' ' GLY . 0.2 OUTLIER -105.33 121.54 44.09 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.464 1.102 . . . . 0.0 109.287 179.984 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.58 ' CD1' ' CD1' ' A' ' 54' ' ' ILE . 36.6 mm -98.24 105.5 17.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.421 1.076 . . . . 0.0 109.294 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.469 HD22 ' CB ' ' A' ' 46' ' ' GLU . 2.8 mm? -75.46 -68.42 0.56 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.486 1.116 . . . . 0.0 109.312 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 4.0 mmt180 -123.64 167.23 14.23 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.524 1.14 . . . . 0.0 110.303 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . 0.437 ' O ' ' N ' ' A' ' 39' ' ' THR . 87.8 mt-30 -99.96 -30.12 12.18 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.463 1.102 . . . . 0.0 110.312 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 4.9 m 67.64 -67.53 0.18 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.517 1.136 . . . . 0.0 110.364 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' THR . . . . . 0.437 ' N ' ' O ' ' A' ' 37' ' ' GLN . 27.5 p -124.8 -79.62 0.61 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.538 1.149 . . . . 0.0 110.387 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . 178.18 -37.16 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.431 1.082 . . . . 0.0 109.342 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . 0.434 ' O ' ' N ' ' A' ' 56' ' ' ALA . 9.3 m-20 -89.05 -37.39 15.17 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.531 1.145 . . . . 0.0 109.301 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 94.8 m95 -108.28 123.12 48.31 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.527 1.142 . . . . 0.0 107.998 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 44.5 m0 -112.93 161.93 16.43 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 107.988 -1.116 . . . . 0.0 107.988 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' TRP . . . . . 0.428 ' CZ3' ' CD2' ' A' ' 53' ' ' TYR . 68.2 t-105 -111.94 115.7 29.4 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.47 1.106 . . . . 0.0 108.025 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -112.47 -172.21 18.71 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.494 1.121 . . . . 0.0 110.954 -179.928 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . 0.469 ' CB ' HD22 ' A' ' 35' ' ' LEU . 46.2 tt0 -148.35 120.6 8.37 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.488 0.758 . . . . 0.0 110.331 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 4.3 mmm180 -92.59 -174.11 3.56 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.437 1.086 . . . . 0.0 110.343 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -62.07 103.04 0.33 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.513 1.133 . . . . 0.0 109.315 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 62.59 8.36 19.86 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.537 1.148 . . . . 0.0 110.988 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 1.2 m -114.85 162.18 17.24 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 108.306 -0.998 . . . . 0.0 108.306 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 12.8 p -148.51 111.8 4.95 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.534 1.146 . . . . 0.0 108.315 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -148.59 -176.86 22.35 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.499 1.125 . . . . 0.0 110.987 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' TYR . . . . . 0.428 ' CD2' ' CZ3' ' A' ' 44' ' ' TRP . 26.8 m-85 -90.93 174.07 7.63 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.506 0.768 . . . . 0.0 111.008 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . 0.58 ' CD1' ' CD1' ' A' ' 34' ' ' ILE . 3.7 pt -158.14 146.18 13.91 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.475 1.109 . . . . 0.0 109.321 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.05 159.71 40.86 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.507 1.793 . . . . 0.0 110.995 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . 0.434 ' N ' ' O ' ' A' ' 41' ' ' ASP . . . -103.44 81.47 1.93 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.512 1.133 . . . . 0.0 109.261 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 40.4 t-20 178.01 -45.3 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.537 1.148 . . . . 0.0 109.273 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 1.8 m-70 -61.66 -27.46 68.69 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.526 1.141 . . . . 0.0 109.625 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 18.1 m -110.14 153.9 11.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.516 1.135 . . . . 0.0 109.32 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 172.86 -152.5 16.39 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.44 1.088 . . . . 0.0 111.025 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 6.5 mmtp -100.05 133.03 45.03 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.503 0.767 . . . . 0.0 109.32 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 27.6 t60 -96.58 88.81 4.78 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.452 1.095 . . . . 0.0 109.616 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 25.9 t -105.11 123.44 47.82 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.489 1.118 . . . . 0.0 109.999 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -63.23 146.46 50.41 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.48 1.113 . . . . 0.0 110.996 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 141.87 27.11 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.498 1.788 . . . . 0.0 111.002 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' SER . . . . . 0.432 ' O ' ' N ' ' A' ' 68' ' ' GLY . 3.9 m 58.76 113.63 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.519 1.137 . . . . 0.0 110.047 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 13.3 m 58.53 -86.53 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.446 1.091 . . . . 0.0 109.984 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . 0.432 ' N ' ' O ' ' A' ' 66' ' ' SER . . . . . . . . 0 CA--C 1.53 0.988 0 O-C-N 124.545 1.153 . . . . 0.0 111.02 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.98 0 N-CA-C 110.999 -0.841 . . . . 0.0 110.999 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -124.71 82.37 2.04 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.473 0.749 . . . . 0.0 110.026 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -53.96 -59.01 5.19 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.512 1.132 . . . . 0.0 109.997 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -172.34 58.66 0.16 Allowed Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.475 1.109 . . . . 0.0 111.009 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.4 m 52.08 99.82 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.513 0.772 . . . . 0.0 109.985 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 68.1 m -45.09 -61.49 1.61 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.535 1.147 . . . . 0.0 110.012 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . 0.471 ' HA3' ' CD1' ' A' ' 33' ' ' LEU . . . 147.5 -166.18 28.68 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.559 1.162 . . . . 0.0 110.991 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 7.0 mt-10 -124.45 117.21 23.9 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.527 0.781 . . . . 0.0 110.327 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -80.67 115.02 19.96 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.517 1.136 . . . . 0.0 110.284 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 6.3 m-85 -119.04 159.35 24.07 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.451 1.094 . . . . 0.0 110.978 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 2.2 t -116.63 133.85 61.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.452 1.095 . . . . 0.0 109.296 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -70.97 117.73 12.84 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.459 1.1 . . . . 0.0 109.292 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 2.8 pt -61.38 -16.27 14.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.494 1.121 . . . . 0.0 109.289 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -167.83 158.51 10.87 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.533 1.146 . . . . 0.0 109.321 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 7.7 p-10 -63.39 140.2 58.85 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.544 1.153 . . . . 0.0 109.3 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . 0.539 ' HB3' ' CE1' ' A' ' 26' ' ' PHE . 26.4 t80 -130.73 149.78 52.22 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.513 1.133 . . . . 0.0 110.994 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -127.5 116.9 21.11 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.505 1.128 . . . . 0.0 109.256 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -53.53 124.48 15.06 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.476 1.11 . . . . 0.0 109.3 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -82.92 -25.95 31.92 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.53 1.144 . . . . 0.0 110.382 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -122.16 -179.47 4.18 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.511 1.132 . . . . 0.0 109.293 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -90.84 16.86 8.57 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.485 1.116 . . . . 0.0 110.31 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 79.6 p -125.86 28.64 6.1 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.516 1.135 . . . . 0.0 110.394 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 63.7 mt-30 -135.51 164.05 28.68 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.47 1.106 . . . . 0.0 110.303 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 16.8 mt -110.58 139.01 46.24 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.467 1.105 . . . . 0.0 109.287 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -108.77 128.81 55.21 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.485 1.116 . . . . 0.0 109.993 -179.953 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . 0.539 ' CE1' ' HB3' ' A' ' 16' ' ' TYR . 2.6 p90 -137.66 179.91 6.14 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.465 1.103 . . . . 0.0 111.018 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -120.98 142.78 49.46 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.549 1.156 . . . . 0.0 109.264 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 6.3 ttp180 -39.03 118.73 0.81 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.487 1.117 . . . . 0.0 110.297 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 108.34 -34.97 5.26 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.542 1.151 . . . . 0.0 110.984 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 -38.85 134.45 0.98 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.524 0.779 . . . . 0.0 110.277 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 7.1 mmtt -79.92 102.42 9.17 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.507 1.13 . . . . 0.0 109.279 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.461 HD11 ' CB ' ' A' ' 26' ' ' PHE . 4.4 mm -94.09 135.82 27.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.461 1.1 . . . . 0.0 109.294 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.471 ' CD1' ' HA3' ' A' ' 7' ' ' GLY . 0.1 OUTLIER -102.39 117.84 35.6 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.499 1.124 . . . . 0.0 109.263 -179.958 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.457 ' CD1' ' CD1' ' A' ' 54' ' ' ILE . 15.7 mm -92.31 108.07 19.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.465 1.103 . . . . 0.0 109.289 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.473 HD23 ' CB ' ' A' ' 46' ' ' GLU . 2.6 mm? -78.69 -68.05 0.69 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.546 1.154 . . . . 0.0 109.297 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 28.0 mtt-85 -122.41 173.17 7.82 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.531 1.145 . . . . 0.0 110.286 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . 0.426 ' O ' ' N ' ' A' ' 39' ' ' THR . 55.8 mt-30 -104.75 -30.25 10.03 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.488 1.118 . . . . 0.0 110.312 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 7.8 m 67.41 -68.32 0.16 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.475 1.11 . . . . 0.0 110.37 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' THR . . . . . 0.426 ' N ' ' O ' ' A' ' 37' ' ' GLN . 33.5 p -126.12 -74.87 0.59 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.508 1.13 . . . . 0.0 110.428 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . 173.09 -34.78 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.434 1.084 . . . . 0.0 109.295 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -90.82 -34.52 15.26 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.518 1.136 . . . . 0.0 109.257 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' TRP . . . . . 0.4 ' O ' ' O ' ' A' ' 37' ' ' GLN . 95.6 m95 -111.94 122.95 49.17 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 107.98 -1.118 . . . . 0.0 107.98 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 44.8 m0 -113.71 157.16 22.55 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.548 1.155 . . . . 0.0 107.957 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' TRP . . . . . 0.406 ' CE3' ' CD2' ' A' ' 53' ' ' TYR . 68.2 t-105 -106.36 116.57 32.15 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 107.99 -1.115 . . . . 0.0 107.99 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -113.85 -176.49 19.2 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.468 1.105 . . . . 0.0 110.986 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . 0.473 ' CB ' HD23 ' A' ' 35' ' ' LEU . 31.1 tt0 -147.97 120.88 8.74 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.52 0.776 . . . . 0.0 110.306 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -95.72 -175.18 3.36 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.555 1.159 . . . . 0.0 110.291 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -58.26 103.09 0.13 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.466 1.103 . . . . 0.0 109.297 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 62.13 8.83 19.2 Favored Glycine 0 CA--C 1.529 0.945 0 O-C-N 124.486 1.117 . . . . 0.0 110.995 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 1.2 m -114.76 157.25 23.47 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 108.284 -1.006 . . . . 0.0 108.284 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 17.6 p -148.25 110.63 4.66 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.445 1.091 . . . . 0.0 108.268 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -148.95 -176.9 22.66 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.501 1.125 . . . . 0.0 111.032 179.93 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' TYR . . . . . 0.406 ' CD2' ' CE3' ' A' ' 44' ' ' TRP . 23.2 m-85 -90.67 171.8 9.11 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.51 0.77 . . . . 0.0 110.92 -179.944 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . 0.457 ' CD1' ' CD1' ' A' ' 34' ' ' ILE . 3.1 pt -156.28 149.4 18.52 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.507 1.13 . . . . 0.0 109.348 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 168.91 23.78 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.479 1.779 . . . . 0.0 111.002 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -112.77 85.49 2.18 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.506 1.129 . . . . 0.0 109.305 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER 167.41 -35.93 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.524 1.14 . . . . 0.0 109.333 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 5.0 m80 -70.63 -16.67 62.85 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.523 1.139 . . . . 0.0 109.566 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 9.3 m -117.21 143.47 27.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.526 1.141 . . . . 0.0 109.247 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 156.93 173.92 25.99 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.49 1.118 . . . . 0.0 110.996 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 1.5 mptp? -45.41 131.95 8.1 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.449 0.735 . . . . 0.0 109.346 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . 0.417 ' O ' ' N ' ' A' ' 64' ' ' GLY . 4.8 p80 -83.43 84.01 7.67 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.483 1.114 . . . . 0.0 109.625 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 5.9 t 68.44 -69.34 0.15 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.459 1.099 . . . . 0.0 110.057 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . 0.417 ' N ' ' O ' ' A' ' 62' ' ' HIS . . . 173.92 -146.19 8.61 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.476 1.11 . . . . 0.0 111.004 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.08 101.94 1.53 Allowed 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.524 1.802 . . . . 0.0 110.971 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -156.85 91.06 1.18 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.476 1.11 . . . . 0.0 109.991 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 40.2 t -172.32 -60.28 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.458 1.099 . . . . 0.0 110.009 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.043 0 O-C-N 124.471 1.107 . . . . 0.0 110.978 179.988 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 7' ' ' GLY . . . . . 0.467 ' HA3' ' CD1' ' A' ' 33' ' ' LEU . . . . . . . . 0 CA--C 1.53 0.982 0 N-CA-C 110.998 -0.841 . . . . 0.0 110.998 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -117.59 116.93 28.07 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.477 0.751 . . . . 0.0 110.354 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -83.54 124.14 30.45 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.492 1.12 . . . . 0.0 110.283 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 8.9 m-85 -133.9 167.86 19.82 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.446 1.091 . . . . 0.0 110.984 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 11' ' ' VAL . . . . . 0.627 HG13 ' HA2' ' A' ' 29' ' ' GLY . 2.5 t -123.51 138.13 54.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.465 1.103 . . . . 0.0 109.317 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 12' ' ' ALA . . . . . 0.443 ' HB2' ' CD1' ' A' ' 26' ' ' PHE . . . -72.44 118.89 15.9 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.452 1.095 . . . . 0.0 109.346 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 3.5 pt -70.92 -7.31 8.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.489 1.118 . . . . 0.0 109.275 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -173.69 141.22 0.83 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.491 1.119 . . . . 0.0 109.279 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 8.9 p-10 -57.34 135.22 56.5 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.444 1.09 . . . . 0.0 109.287 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 44.9 t80 -125.65 161.03 28.17 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.494 1.121 . . . . 0.0 110.954 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -134.44 111.99 10.58 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.463 1.102 . . . . 0.0 109.283 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 0.718 ' HB1' ' HB2' ' A' ' 23' ' ' GLN . . . -52.95 127.01 22.29 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.519 1.137 . . . . 0.0 109.309 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -86.58 -22.1 26.46 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.466 1.104 . . . . 0.0 110.419 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 20' ' ' ASP . . . . . 0.545 ' H ' HE21 ' A' ' 23' ' ' GLN . 0.3 OUTLIER -119.54 175.58 5.78 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.486 1.116 . . . . 0.0 109.311 179.989 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -90.76 18.01 7.0 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.476 1.11 . . . . 0.0 110.268 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 73.2 p -125.01 14.34 8.47 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.474 1.109 . . . . 0.0 110.399 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' GLN . . . . . 0.718 ' HB2' ' HB1' ' A' ' 18' ' ' ALA . 37.3 mt-30 -119.29 160.48 22.14 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.446 1.091 . . . . 0.0 110.352 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.546 HD22 ' HG3' ' A' ' 47' ' ' ARG . 30.8 mt -106.98 139.42 41.41 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.517 1.136 . . . . 0.0 109.321 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 25' ' ' SER . . . . . 0.404 ' O ' ' NH1' ' A' ' 47' ' ' ARG . 5.3 m -110.27 129.56 55.71 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.492 1.12 . . . . 0.0 109.995 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 26' ' ' PHE . . . . . 0.657 ' CB ' HD11 ' A' ' 32' ' ' ILE . 3.1 p90 -141.0 175.57 9.51 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.524 1.14 . . . . 0.0 111.018 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.576 HD12 ' N ' ' A' ' 28' ' ' ARG . 0.1 OUTLIER -117.66 143.1 46.49 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.507 1.13 . . . . 0.0 109.346 179.938 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 28' ' ' ARG . . . . . 0.576 ' N ' HD12 ' A' ' 27' ' ' LEU . 8.1 ttt180 -41.15 122.32 1.78 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.475 1.11 . . . . 0.0 110.312 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 29' ' ' GLY . . . . . 0.627 ' HA2' HG13 ' A' ' 11' ' ' VAL . . . 105.79 -31.5 8.36 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.45 1.094 . . . . 0.0 110.989 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 7.7 mt-10 -47.52 133.32 13.16 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.506 0.768 . . . . 0.0 110.307 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 14.7 mmtp -77.16 99.11 5.29 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.492 1.12 . . . . 0.0 109.287 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.657 HD11 ' CB ' ' A' ' 26' ' ' PHE . 5.1 mm -92.42 133.84 32.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.483 1.114 . . . . 0.0 109.329 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.467 ' CD1' ' HA3' ' A' ' 7' ' ' GLY . 0.1 OUTLIER -95.68 117.9 31.36 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.459 1.099 . . . . 0.0 109.331 179.984 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.62 ' CD1' HD11 ' A' ' 54' ' ' ILE . 37.0 mm -92.19 77.58 1.26 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.499 1.124 . . . . 0.0 109.347 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.636 HD22 ' HB2' ' A' ' 46' ' ' GLU . 7.8 mp -46.02 -67.54 0.27 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.471 1.107 . . . . 0.0 109.333 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -129.52 156.37 44.27 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.529 1.143 . . . . 0.0 110.313 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 37' ' ' GLN . . . . . 0.42 ' O ' ' N ' ' A' ' 39' ' ' THR . 68.5 mt-30 -95.19 -52.91 3.99 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.439 1.087 . . . . 0.0 110.309 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 53.5 m 67.53 -67.67 0.17 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.443 1.089 . . . . 0.0 110.404 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 39' ' ' THR . . . . . 0.42 ' N ' ' O ' ' A' ' 37' ' ' GLN . 1.1 p -120.23 162.38 19.48 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.531 1.144 . . . . 0.0 110.401 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -88.45 7.39 33.03 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.424 1.078 . . . . 0.0 109.331 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -121.95 -42.28 2.4 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.492 1.12 . . . . 0.0 109.312 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 78.0 m95 -115.95 127.95 55.37 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.542 1.151 . . . . 0.0 107.999 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 45.3 m0 -113.71 157.6 21.99 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.534 1.146 . . . . 0.0 107.993 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 44' ' ' TRP . . . . . 0.485 ' CE3' ' CE2' ' A' ' 53' ' ' TYR . 41.5 t-105 -104.79 108.75 20.4 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.52 1.138 . . . . 0.0 108.021 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -105.02 174.72 21.68 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.512 1.133 . . . . 0.0 110.979 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 46' ' ' GLU . . . . . 0.636 ' HB2' HD22 ' A' ' 35' ' ' LEU . 30.6 tt0 -142.6 120.56 12.05 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.488 0.757 . . . . 0.0 110.266 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 47' ' ' ARG . . . . . 0.546 ' HG3' HD22 ' A' ' 24' ' ' LEU . 5.8 mmm-85 -91.62 -173.06 3.43 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.479 1.112 . . . . 0.0 110.282 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -63.7 103.4 0.55 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 0.0 109.337 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 62.49 9.37 24.27 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.498 1.124 . . . . 0.0 111.002 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 1.2 m -114.45 162.97 15.98 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 108.296 -1.001 . . . . 0.0 108.296 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 11.8 p -148.55 112.87 5.27 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.522 1.139 . . . . 0.0 108.291 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -148.08 -178.7 23.47 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.477 1.11 . . . . 0.0 110.972 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 53' ' ' TYR . . . . . 0.485 ' CE2' ' CE3' ' A' ' 44' ' ' TRP . 4.2 m-85 -98.15 149.22 22.76 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.502 0.766 . . . . 0.0 111.012 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 54' ' ' ILE . . . . . 0.62 HD11 ' CD1' ' A' ' 34' ' ' ILE . 4.7 pt -131.6 150.05 75.22 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.529 1.143 . . . . 0.0 109.27 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.09 169.21 23.08 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.475 1.776 . . . . 0.0 111.012 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -113.33 85.63 2.23 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.535 1.147 . . . . 0.0 109.257 -179.925 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER 172.57 -39.23 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.503 1.127 . . . . 0.0 109.321 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 7.0 m80 -69.86 -25.58 63.79 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.543 1.152 . . . . 0.0 109.6 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 15.8 m . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.458 1.099 . . . . 0.0 109.286 179.992 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 7' ' ' GLY . . . . . 0.471 ' HA3' ' CD1' ' A' ' 33' ' ' LEU . . . . . . . . 0 CA--C 1.53 1.015 0 N-CA-C 110.983 -0.847 . . . . 0.0 110.983 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -114.52 111.94 22.17 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.52 0.776 . . . . 0.0 110.299 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 9' ' ' GLU . . . . . 0.472 ' HG2' HD22 ' A' ' 33' ' ' LEU . 0.0 OUTLIER -76.75 128.09 33.99 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.472 1.107 . . . . 0.0 110.328 -179.998 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 7.0 m-85 -137.64 164.18 29.43 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.529 1.143 . . . . 0.0 110.938 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 11' ' ' VAL . . . . . 0.432 HG22 ' O ' ' A' ' 29' ' ' GLY . 2.2 t -123.08 139.97 48.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.487 1.117 . . . . 0.0 109.291 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -71.68 118.37 14.44 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.448 1.093 . . . . 0.0 109.31 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 2.9 pt -67.25 -19.96 26.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.482 1.114 . . . . 0.0 109.231 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -162.12 146.02 12.16 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.479 1.112 . . . . 0.0 109.328 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 2.5 p-10 -55.88 140.54 42.31 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.51 1.131 . . . . 0.0 109.283 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 33.9 t80 -132.13 159.67 38.26 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.537 1.148 . . . . 0.0 110.979 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -136.77 115.34 11.96 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.505 1.128 . . . . 0.0 109.296 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -52.94 130.52 33.78 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.52 1.138 . . . . 0.0 109.311 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -93.17 -17.89 23.2 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.511 1.132 . . . . 0.0 110.376 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 90.2 m-20 -127.85 174.95 8.71 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.492 1.12 . . . . 0.0 109.33 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 30.9 tt0 -85.75 12.0 9.88 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.434 1.084 . . . . 0.0 110.252 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 68.3 p -124.17 46.44 2.27 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.525 1.141 . . . . 0.0 110.397 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 51.7 mt-30 -155.56 157.44 36.84 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.44 1.087 . . . . 0.0 110.301 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.546 HD13 ' CG ' ' A' ' 47' ' ' ARG . 81.6 mt -103.9 146.11 29.14 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.546 1.154 . . . . 0.0 109.323 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 12.5 p -114.52 131.37 56.67 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 0.0 109.966 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' PHE . . . . . 0.555 ' CB ' HD11 ' A' ' 32' ' ' ILE . 2.2 p90 -141.29 -179.0 5.87 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.479 1.112 . . . . 0.0 111.021 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.593 HD12 ' N ' ' A' ' 28' ' ' ARG . 0.1 OUTLIER -126.64 144.94 50.75 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.482 1.114 . . . . 0.0 109.306 179.949 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 28' ' ' ARG . . . . . 0.593 ' N ' HD12 ' A' ' 27' ' ' LEU . 8.6 ttt180 -39.39 123.57 1.46 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.481 1.113 . . . . 0.0 110.263 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 29' ' ' GLY . . . . . 0.432 ' O ' HG22 ' A' ' 11' ' ' VAL . . . 104.31 -32.66 7.29 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.487 1.117 . . . . 0.0 111.035 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 4.9 mt-10 -46.17 131.55 10.16 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.509 0.77 . . . . 0.0 110.304 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 11.4 mmtp -76.78 102.96 6.48 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.501 1.126 . . . . 0.0 109.308 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.555 HD11 ' CB ' ' A' ' 26' ' ' PHE . 5.0 mm -97.9 137.46 25.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.472 1.107 . . . . 0.0 109.357 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.472 HD22 ' HG2' ' A' ' 9' ' ' GLU . 0.2 OUTLIER -99.89 133.64 43.96 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.457 1.098 . . . . 0.0 109.232 -179.934 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.593 ' CD1' HD11 ' A' ' 54' ' ' ILE . 14.3 mm -106.28 79.75 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.487 1.117 . . . . 0.0 109.314 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.461 ' CD2' ' HB2' ' A' ' 46' ' ' GLU . 5.8 mp -48.13 -67.13 0.3 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.466 1.104 . . . . 0.0 109.274 -179.946 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -135.47 172.22 13.33 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.493 1.12 . . . . 0.0 110.274 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 37' ' ' GLN . . . . . 0.438 ' O ' ' N ' ' A' ' 39' ' ' THR . 73.4 mt-30 -99.76 -38.18 8.79 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.531 1.144 . . . . 0.0 110.296 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 38' ' ' THR . . . . . 0.597 HG21 ' OH ' ' A' ' 53' ' ' TYR . 2.7 m 68.97 -62.17 0.4 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.508 1.13 . . . . 0.0 110.403 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 39' ' ' THR . . . . . 0.438 ' N ' ' O ' ' A' ' 37' ' ' GLN . 1.3 p -122.58 -93.19 0.52 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.514 1.134 . . . . 0.0 110.361 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 40' ' ' ALA . . . . . 0.436 ' O ' ' NE1' ' A' ' 43' ' ' TRP . . . -169.99 -55.57 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.482 1.113 . . . . 0.0 109.315 -179.939 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -73.75 -34.54 64.78 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.531 1.144 . . . . 0.0 109.31 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 93.6 m95 -108.65 127.01 53.59 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.551 1.157 . . . . 0.0 107.996 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 43' ' ' TRP . . . . . 0.436 ' NE1' ' O ' ' A' ' 40' ' ' ALA . 45.3 m0 -114.82 152.66 31.8 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 107.97 -1.122 . . . . 0.0 107.97 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 44' ' ' TRP . . . . . 0.517 ' CE3' ' CE2' ' A' ' 53' ' ' TYR . 64.6 t-105 -100.23 104.91 16.44 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.504 1.128 . . . . 0.0 107.988 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -100.75 -172.67 29.2 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.526 1.141 . . . . 0.0 110.987 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 46' ' ' GLU . . . . . 0.461 ' HB2' ' CD2' ' A' ' 35' ' ' LEU . 19.1 tt0 -153.81 120.56 5.6 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.516 0.774 . . . . 0.0 110.312 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 47' ' ' ARG . . . . . 0.546 ' CG ' HD13 ' A' ' 24' ' ' LEU . 2.5 mmm180 -92.24 -175.93 4.2 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.461 1.1 . . . . 0.0 110.307 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -59.42 103.59 0.2 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.481 1.113 . . . . 0.0 109.262 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 62.91 8.31 21.47 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.494 1.122 . . . . 0.0 110.947 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 50' ' ' CYS . . . . . 0.405 ' C ' ' HG ' ' A' ' 51' ' ' CYS . 0.8 OUTLIER -114.79 161.53 18.07 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 108.259 -1.015 . . . . 0.0 108.259 -179.982 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 51' ' ' CYS . . . . . 0.405 ' HG ' ' C ' ' A' ' 50' ' ' CYS . 11.5 m -148.74 112.81 5.19 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.526 1.141 . . . . 0.0 108.259 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -148.33 -176.92 22.2 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.483 1.115 . . . . 0.0 111.017 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 53' ' ' TYR . . . . . 0.597 ' OH ' HG21 ' A' ' 38' ' ' THR . 2.4 m-85 -95.19 150.97 19.63 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.573 0.808 . . . . 0.0 110.944 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 54' ' ' ILE . . . . . 0.593 HD11 ' CD1' ' A' ' 34' ' ' ILE . 3.8 pt -133.34 151.94 78.45 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.496 1.122 . . . . 0.0 109.307 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 170.63 19.98 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.514 1.797 . . . . 0.0 110.971 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -114.56 86.69 2.48 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.513 1.133 . . . . 0.0 109.291 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER 164.72 -41.18 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.438 1.086 . . . . 0.0 109.316 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 24.0 m-70 -65.02 -27.57 68.9 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.471 1.107 . . . . 0.0 109.629 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 16.1 m . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.512 1.132 . . . . 0.0 109.297 179.997 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 7' ' ' GLY . . . . . 0.462 ' HA3' ' CD1' ' A' ' 33' ' ' LEU . . . . . . . . 0 CA--C 1.53 0.994 0 N-CA-C 110.996 -0.842 . . . . 0.0 110.996 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -120.25 122.23 40.44 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.486 0.757 . . . . 0.0 110.282 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 9' ' ' GLU . . . . . 0.446 ' HG2' HD22 ' A' ' 33' ' ' LEU . 2.0 mt-10 -83.35 122.6 28.69 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.534 1.146 . . . . 0.0 110.275 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 9.5 m-85 -131.93 167.5 19.51 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.507 1.129 . . . . 0.0 111.021 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 11' ' ' VAL . . . . . 0.625 HG13 ' HA2' ' A' ' 29' ' ' GLY . 2.4 t -124.35 138.27 54.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.525 1.141 . . . . 0.0 109.302 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -72.53 118.82 15.92 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.438 1.086 . . . . 0.0 109.335 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 2.7 pt -70.19 -14.91 18.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.442 1.089 . . . . 0.0 109.304 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -165.29 139.37 4.8 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.488 1.118 . . . . 0.0 109.319 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 3.2 p-10 -55.4 140.71 39.0 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.488 1.118 . . . . 0.0 109.314 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 22.6 t80 -132.41 157.62 44.07 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.471 1.107 . . . . 0.0 111.013 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -132.15 114.03 14.01 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.542 1.151 . . . . 0.0 109.285 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 0.568 ' HB1' ' HB2' ' A' ' 23' ' ' GLN . . . -53.03 119.77 5.08 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.557 1.161 . . . . 0.0 109.33 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 43.6 p -80.7 -15.71 55.81 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.491 1.119 . . . . 0.0 110.393 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -128.58 178.68 6.14 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.522 1.139 . . . . 0.0 109.288 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 19.8 pt-20 -94.22 17.39 12.79 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.547 1.154 . . . . 0.0 110.314 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 60.5 p -125.08 27.1 6.78 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.124 . . . . 0.0 110.368 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' GLN . . . . . 0.568 ' HB2' ' HB1' ' A' ' 18' ' ' ALA . 85.7 mt-30 -134.46 169.2 17.61 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.522 1.139 . . . . 0.0 110.275 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.776 HD13 ' HG2' ' A' ' 47' ' ' ARG . 25.0 mt -112.87 139.33 48.6 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.487 1.117 . . . . 0.0 109.329 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 13.5 m -110.28 130.33 55.57 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.469 1.105 . . . . 0.0 109.995 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' PHE . . . . . 0.655 ' CB ' HD11 ' A' ' 32' ' ' ILE . 3.3 p90 -141.13 173.65 11.28 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.522 1.139 . . . . 0.0 111.017 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.603 HD12 ' N ' ' A' ' 28' ' ' ARG . 0.1 OUTLIER -117.51 142.13 47.53 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.532 1.145 . . . . 0.0 109.273 -179.95 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 28' ' ' ARG . . . . . 0.603 ' N ' HD12 ' A' ' 27' ' ' LEU . 6.4 ttt-85 -38.88 123.15 1.25 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.505 1.128 . . . . 0.0 110.285 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 29' ' ' GLY . . . . . 0.625 ' HA2' HG13 ' A' ' 11' ' ' VAL . . . 103.72 -33.4 6.61 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.525 1.141 . . . . 0.0 111.0 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 5.3 mt-10 -43.88 132.48 5.24 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.445 0.732 . . . . 0.0 110.336 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 4.4 mptt -77.02 99.94 5.47 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.539 1.149 . . . . 0.0 109.289 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.655 HD11 ' CB ' ' A' ' 26' ' ' PHE . 5.7 mm -94.03 134.76 30.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.492 1.12 . . . . 0.0 109.345 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.462 ' CD1' ' HA3' ' A' ' 7' ' ' GLY . 0.1 OUTLIER -97.41 117.92 32.72 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.522 1.139 . . . . 0.0 109.277 -179.971 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.573 ' CD1' HD11 ' A' ' 54' ' ' ILE . 22.7 mm -91.9 78.49 1.39 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.454 1.096 . . . . 0.0 109.277 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.49 HD13 ' CB ' ' A' ' 46' ' ' GLU . 6.9 mp -45.71 -68.32 0.21 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.503 1.127 . . . . 0.0 109.31 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 5.0 mtt180 -130.04 158.77 38.69 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.47 1.106 . . . . 0.0 110.329 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 37' ' ' GLN . . . . . 0.44 ' O ' ' N ' ' A' ' 39' ' ' THR . 4.2 mt-30 -92.6 -50.47 5.58 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.518 1.136 . . . . 0.0 110.268 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 28.6 m 67.78 -66.72 0.2 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.517 1.135 . . . . 0.0 110.364 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 39' ' ' THR . . . . . 0.44 ' N ' ' O ' ' A' ' 37' ' ' GLN . 2.2 p -127.24 162.73 25.51 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.454 1.096 . . . . 0.0 110.385 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -88.32 10.44 19.77 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.496 1.123 . . . . 0.0 109.309 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -121.53 -42.07 2.46 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.531 1.145 . . . . 0.0 109.325 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 87.0 m95 -121.25 132.55 54.88 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.514 1.134 . . . . 0.0 107.98 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 43' ' ' TRP . . . . . 0.411 ' CD1' ' HB2' ' A' ' 56' ' ' ALA . 45.6 m0 -113.95 160.55 18.7 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 107.977 -1.12 . . . . 0.0 107.977 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 41.9 t-105 -107.7 109.21 20.75 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.509 1.13 . . . . 0.0 108.037 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -107.54 169.71 14.9 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.472 1.108 . . . . 0.0 111.03 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 46' ' ' GLU . . . . . 0.49 ' CB ' HD13 ' A' ' 35' ' ' LEU . 27.3 tt0 -135.85 120.65 18.49 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.475 0.75 . . . . 0.0 110.322 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 47' ' ' ARG . . . . . 0.776 ' HG2' HD13 ' A' ' 24' ' ' LEU . 7.3 mmm180 -90.99 -172.92 3.5 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.529 1.143 . . . . 0.0 110.292 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -63.39 103.52 0.52 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.479 1.112 . . . . 0.0 109.316 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 62.41 9.16 22.71 Favored Glycine 0 CA--C 1.529 0.949 0 O-C-N 124.502 1.126 . . . . 0.0 111.042 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -114.54 163.03 15.95 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 108.281 -1.007 . . . . 0.0 108.281 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 15.8 p -148.51 111.6 4.89 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.507 1.129 . . . . 0.0 108.255 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -148.57 -176.97 22.43 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.467 1.104 . . . . 0.0 111.038 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 5.2 m-85 -95.11 162.83 13.55 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.503 0.767 . . . . 0.0 110.984 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 54' ' ' ILE . . . . . 0.573 HD11 ' CD1' ' A' ' 34' ' ' ILE . 4.4 pt -146.76 150.34 39.24 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.522 1.139 . . . . 0.0 109.32 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 55' ' ' PRO . . . . . 0.402 ' HD3' ' HA ' ' A' ' 54' ' ' ILE . 18.1 Cg_endo -75.02 155.69 42.83 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.523 1.802 . . . . 0.0 110.979 -179.95 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 56' ' ' ALA . . . . . 0.411 ' HB2' ' CD1' ' A' ' 43' ' ' TRP . . . -100.77 80.14 2.14 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.499 1.124 . . . . 0.0 109.272 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 50.6 t-20 177.38 -41.53 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.57 1.169 . . . . 0.0 109.289 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 4.7 m-70 -65.43 -27.38 68.48 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.554 1.159 . . . . 0.0 109.604 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 17.9 m . . . . . 0 C--N 1.325 -0.495 0 O-C-N 124.472 1.108 . . . . 0.0 109.3 179.989 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 7' ' ' GLY . . . . . 0.473 ' HA3' ' CD1' ' A' ' 33' ' ' LEU . . . . . . . . 0 CA--C 1.53 1.001 0 N-CA-C 111.007 -0.837 . . . . 0.0 111.007 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -111.6 106.71 15.63 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.504 0.767 . . . . 0.0 110.264 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 9' ' ' GLU . . . . . 0.513 ' HG3' HD22 ' A' ' 33' ' ' LEU . 0.2 OUTLIER -74.51 130.47 39.66 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.489 1.118 . . . . 0.0 110.322 179.994 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 7.3 m-85 -138.85 166.47 24.36 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.456 1.098 . . . . 0.0 111.012 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 11' ' ' VAL . . . . . 0.521 HG22 ' O ' ' A' ' 29' ' ' GLY . 2.2 t -124.07 140.64 46.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.493 1.121 . . . . 0.0 109.323 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 12' ' ' ALA . . . . . 0.4 ' O ' ' HA ' ' A' ' 28' ' ' ARG . . . -71.8 118.09 14.21 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.478 1.111 . . . . 0.0 109.317 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 2.3 pt -68.45 -13.72 17.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.482 1.114 . . . . 0.0 109.303 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -164.38 155.99 15.94 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.538 1.149 . . . . 0.0 109.332 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 1.6 p-10 -58.37 148.76 26.71 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.521 1.138 . . . . 0.0 109.333 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 48.8 t80 -133.9 158.35 43.67 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.53 1.144 . . . . 0.0 110.994 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -144.09 104.09 4.09 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.48 1.113 . . . . 0.0 109.356 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -53.88 131.98 40.98 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.535 1.147 . . . . 0.0 109.32 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -95.58 -8.31 35.37 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.455 1.097 . . . . 0.0 110.403 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 17.2 m-20 -133.72 173.06 11.93 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.514 1.134 . . . . 0.0 109.295 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 7.2 pt-20 -93.24 17.92 10.36 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.468 1.105 . . . . 0.0 110.327 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 80.5 p -121.43 13.72 11.05 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.516 1.135 . . . . 0.0 110.4 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 35.4 mt-30 -121.7 173.42 7.46 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.5 1.125 . . . . 0.0 110.264 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.566 HD13 ' CG ' ' A' ' 47' ' ' ARG . 17.2 mt -114.13 140.54 48.43 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.454 1.096 . . . . 0.0 109.272 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 16.3 p -109.83 130.69 55.49 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.488 1.117 . . . . 0.0 110.001 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' PHE . . . . . 0.57 ' CB ' HD11 ' A' ' 32' ' ' ILE . 2.6 p90 -142.92 178.5 7.63 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.504 1.127 . . . . 0.0 110.97 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.652 HD12 ' N ' ' A' ' 28' ' ' ARG . 0.1 OUTLIER -125.67 145.79 50.01 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.555 1.159 . . . . 0.0 109.295 179.997 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 28' ' ' ARG . . . . . 0.652 ' N ' HD12 ' A' ' 27' ' ' LEU . 12.0 ttt-85 -43.91 112.15 0.37 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.466 1.104 . . . . 0.0 110.319 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 29' ' ' GLY . . . . . 0.521 ' O ' HG22 ' A' ' 11' ' ' VAL . . . 117.97 -32.75 5.18 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.507 1.129 . . . . 0.0 111.005 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -49.46 136.19 16.74 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.497 0.763 . . . . 0.0 110.312 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -79.74 102.44 9.02 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.511 1.132 . . . . 0.0 109.328 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.57 HD11 ' CB ' ' A' ' 26' ' ' PHE . 4.5 mm -95.74 124.74 48.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.497 1.123 . . . . 0.0 109.3 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.513 HD22 ' HG3' ' A' ' 9' ' ' GLU . 0.1 OUTLIER -87.99 117.86 27.14 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.489 1.118 . . . . 0.0 109.287 -179.974 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.556 ' CD1' HD11 ' A' ' 54' ' ' ILE . 19.1 mm -92.51 78.91 1.37 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.5 1.125 . . . . 0.0 109.292 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.574 HD22 ' HB2' ' A' ' 46' ' ' GLU . 7.3 mp -46.39 -67.79 0.25 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.558 1.161 . . . . 0.0 109.249 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 2.1 mtt-85 -135.41 173.0 12.2 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.508 1.13 . . . . 0.0 110.307 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 37' ' ' GLN . . . . . 0.508 ' HG2' ' CG ' ' A' ' 43' ' ' TRP . 7.7 mt-30 -133.87 73.02 1.48 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.451 1.094 . . . . 0.0 110.307 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 81.9 m -38.33 -32.9 0.08 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.511 1.132 . . . . 0.0 110.409 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 39' ' ' THR . . . . . 0.402 ' N ' ' O ' ' A' ' 37' ' ' GLN . 2.2 p -147.12 178.68 8.19 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.513 1.133 . . . . 0.0 110.395 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -91.43 6.82 43.97 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.487 1.117 . . . . 0.0 109.281 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -121.16 -41.99 2.5 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.541 1.151 . . . . 0.0 109.3 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 82.1 m95 -113.12 126.15 55.14 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.476 1.11 . . . . 0.0 108.006 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 43' ' ' TRP . . . . . 0.508 ' CG ' ' HG2' ' A' ' 37' ' ' GLN . 47.5 m0 -113.75 153.52 28.88 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.546 1.154 . . . . 0.0 107.994 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 44.3 t-105 -101.86 105.03 15.8 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 107.988 -1.116 . . . . 0.0 107.988 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -100.62 175.56 26.76 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.518 1.137 . . . . 0.0 111.022 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 46' ' ' GLU . . . . . 0.574 ' HB2' HD22 ' A' ' 35' ' ' LEU . 22.6 tt0 -144.64 120.64 10.7 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.543 0.79 . . . . 0.0 110.29 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 47' ' ' ARG . . . . . 0.566 ' CG ' HD13 ' A' ' 24' ' ' LEU . 1.3 mmm180 -90.97 -172.88 3.49 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.522 1.139 . . . . 0.0 110.356 179.95 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -63.44 103.82 0.56 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.468 1.105 . . . . 0.0 109.284 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 62.59 9.52 25.77 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.55 1.156 . . . . 0.0 111.038 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 1.3 m -114.26 163.35 15.38 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 108.29 -1.004 . . . . 0.0 108.29 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 15.8 p -148.5 112.57 5.19 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.487 1.117 . . . . 0.0 108.323 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -148.32 -177.08 22.32 Favored Glycine 0 CA--C 1.529 0.936 0 O-C-N 124.502 1.126 . . . . 0.0 111.014 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 2.3 m-85 -98.93 159.23 15.1 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.445 0.732 . . . . 0.0 111.022 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 54' ' ' ILE . . . . . 0.556 HD11 ' CD1' ' A' ' 34' ' ' ILE . 4.5 pt -143.74 150.71 51.23 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.529 1.143 . . . . 0.0 109.297 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 55' ' ' PRO . . . . . 0.402 ' HD3' ' HA ' ' A' ' 54' ' ' ILE . 18.2 Cg_endo -75.0 172.65 15.95 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.499 1.789 . . . . 0.0 111.022 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -117.91 87.93 2.81 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.572 1.17 . . . . 0.0 109.31 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 2.3 t30 169.6 -36.05 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.479 1.112 . . . . 0.0 109.285 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 2.9 m-70 -73.49 -24.41 60.18 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.477 1.11 . . . . 0.0 109.631 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 9.4 m . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.549 1.155 . . . . 0.0 109.334 179.963 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 7' ' ' GLY . . . . . 0.472 ' HA3' ' CD1' ' A' ' 33' ' ' LEU . . . . . . . . 0 CA--C 1.53 1.02 0 N-CA-C 110.949 -0.86 . . . . 0.0 110.949 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -122.39 123.69 41.93 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.506 0.768 . . . . 0.0 110.261 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 9' ' ' GLU . . . . . 0.514 ' HG3' HD22 ' A' ' 33' ' ' LEU . 0.1 OUTLIER -84.23 98.02 9.73 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.523 1.139 . . . . 0.0 110.297 179.973 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 9.7 m-85 -99.02 158.24 15.79 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.478 1.111 . . . . 0.0 110.988 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 11' ' ' VAL . . . . . 0.589 HG13 ' HA2' ' A' ' 29' ' ' GLY . 2.3 t -115.11 135.83 53.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.519 1.137 . . . . 0.0 109.275 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 12' ' ' ALA . . . . . 0.41 ' O ' ' HA ' ' A' ' 28' ' ' ARG . . . -71.63 118.43 14.45 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.481 1.113 . . . . 0.0 109.263 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.438 ' N ' ' O ' ' A' ' 58' ' ' HIS . 3.1 pt -70.97 -15.15 18.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.509 1.131 . . . . 0.0 109.309 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -159.51 156.39 28.11 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.436 1.085 . . . . 0.0 109.323 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 2.8 p30 -71.83 141.76 49.63 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.515 1.134 . . . . 0.0 109.278 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 74.7 t80 -128.71 172.13 11.54 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.501 1.126 . . . . 0.0 110.948 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -140.43 144.15 35.98 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.5 1.125 . . . . 0.0 109.29 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -89.78 112.41 23.7 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.535 1.147 . . . . 0.0 109.334 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 14.9 p -112.64 5.95 18.04 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.512 1.132 . . . . 0.0 110.371 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -125.0 178.77 5.34 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.504 1.127 . . . . 0.0 109.287 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 10.7 tt0 -88.82 -17.11 30.4 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.536 1.147 . . . . 0.0 110.249 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 40.4 p -123.08 58.55 1.1 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.526 1.141 . . . . 0.0 110.407 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 82.5 mt-30 -144.62 156.01 43.91 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.537 1.148 . . . . 0.0 110.311 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.742 HD13 ' HG2' ' A' ' 47' ' ' ARG . 28.0 mt -117.62 143.72 45.87 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.559 1.162 . . . . 0.0 109.254 -179.95 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 13.1 p -112.59 132.03 55.33 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.463 1.102 . . . . 0.0 109.971 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' PHE . . . . . 0.508 ' CB ' HD11 ' A' ' 32' ' ' ILE . 3.5 p90 -144.16 176.8 9.05 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.504 1.128 . . . . 0.0 111.015 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.661 HD12 ' N ' ' A' ' 28' ' ' ARG . 0.1 OUTLIER -119.51 144.78 46.83 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.554 1.159 . . . . 0.0 109.308 179.965 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 28' ' ' ARG . . . . . 0.661 ' N ' HD12 ' A' ' 27' ' ' LEU . 5.7 ttt180 -43.23 110.83 0.21 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.519 1.137 . . . . 0.0 110.281 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 29' ' ' GLY . . . . . 0.589 ' HA2' HG13 ' A' ' 11' ' ' VAL . . . 119.66 -36.81 3.34 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.529 1.143 . . . . 0.0 110.993 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -42.24 132.33 3.4 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.556 0.798 . . . . 0.0 110.294 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 12.5 mmtp -77.1 100.85 5.86 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.493 1.121 . . . . 0.0 109.289 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.508 HD11 ' CB ' ' A' ' 26' ' ' PHE . 4.7 mm -94.18 133.93 33.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.481 1.113 . . . . 0.0 109.292 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.514 HD22 ' HG3' ' A' ' 9' ' ' GLU . 0.1 OUTLIER -96.45 125.27 40.83 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.484 1.115 . . . . 0.0 109.279 179.989 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.631 HD13 HD11 ' A' ' 54' ' ' ILE . 42.0 mm -101.94 92.53 2.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.501 1.126 . . . . 0.0 109.329 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.739 HD21 ' CB ' ' A' ' 46' ' ' GLU . 0.3 OUTLIER -65.3 -65.13 0.71 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.513 1.133 . . . . 0.0 109.282 -179.94 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 49.9 mtt85 -129.24 174.74 9.31 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.485 1.115 . . . . 0.0 110.275 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 37' ' ' GLN . . . . . 0.5 ' HG2' ' CG ' ' A' ' 43' ' ' TRP . 58.3 mt-30 -142.94 74.73 1.45 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.457 1.098 . . . . 0.0 110.309 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 38' ' ' THR . . . . . 0.4 ' C ' ' O ' ' A' ' 37' ' ' GLN . 54.2 m -38.45 -43.71 0.86 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.447 1.092 . . . . 0.0 110.418 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 5.7 p -134.61 173.86 11.2 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.485 1.116 . . . . 0.0 110.366 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -86.48 8.22 22.77 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.518 1.136 . . . . 0.0 109.295 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -122.24 -42.31 2.37 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.529 1.143 . . . . 0.0 109.294 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 95.3 m95 -110.14 124.92 52.41 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.525 1.141 . . . . 0.0 108.017 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 43' ' ' TRP . . . . . 0.5 ' CG ' ' HG2' ' A' ' 37' ' ' GLN . 46.0 m0 -114.63 158.72 21.35 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.491 1.119 . . . . 0.0 108.021 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 44' ' ' TRP . . . . . 0.412 ' CE3' ' CD2' ' A' ' 53' ' ' TYR . 68.9 t-105 -108.25 119.85 40.69 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.552 1.158 . . . . 0.0 108.009 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 45' ' ' GLY . . . . . 0.458 ' HA2' HD22 ' A' ' 35' ' ' LEU . . . -117.71 -173.92 16.48 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.462 1.102 . . . . 0.0 111.024 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 46' ' ' GLU . . . . . 0.739 ' CB ' HD21 ' A' ' 35' ' ' LEU . 28.4 tt0 -146.58 120.66 9.44 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.5 0.765 . . . . 0.0 110.254 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 47' ' ' ARG . . . . . 0.742 ' HG2' HD13 ' A' ' 24' ' ' LEU . 0.0 OUTLIER -91.68 -173.82 3.66 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.462 1.101 . . . . 0.0 110.281 179.98 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -61.77 103.32 0.33 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.474 1.109 . . . . 0.0 109.277 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 62.39 8.28 18.35 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.529 1.143 . . . . 0.0 111.0 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 1.3 m -115.06 163.44 15.61 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 108.283 -1.006 . . . . 0.0 108.283 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 12.7 p -148.59 111.77 4.92 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.513 1.133 . . . . 0.0 108.283 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -148.59 -177.07 22.53 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.502 1.126 . . . . 0.0 111.018 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 53' ' ' TYR . . . . . 0.579 ' O ' HG23 ' A' ' 54' ' ' ILE . 2.9 m-85 -91.17 173.97 7.65 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.488 0.758 . . . . 0.0 110.983 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 54' ' ' ILE . . . . . 0.631 HD11 HD13 ' A' ' 34' ' ' ILE . 3.1 pt -157.27 152.47 21.68 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.454 1.096 . . . . 0.0 109.285 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 158.21 42.31 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.524 1.802 . . . . 0.0 110.993 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -106.27 83.63 1.91 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.454 1.096 . . . . 0.0 109.309 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 168.75 -44.43 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.5 1.125 . . . . 0.0 109.331 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 58' ' ' HIS . . . . . 0.438 ' O ' ' N ' ' A' ' 13' ' ' ILE . 1.2 m80 -63.27 -16.96 61.89 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.525 1.141 . . . . 0.0 109.648 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 15.4 m . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.537 1.148 . . . . 0.0 109.282 179.963 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 7' ' ' GLY . . . . . 0.452 ' HA3' ' CD1' ' A' ' 33' ' ' LEU . . . . . . . . 0 CA--C 1.529 0.964 0 N-CA-C 111.021 -0.832 . . . . 0.0 111.021 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -105.98 122.29 45.83 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.492 0.76 . . . . 0.0 110.294 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 9' ' ' GLU . . . . . 0.482 ' HG3' HD22 ' A' ' 33' ' ' LEU . 0.0 OUTLIER -86.46 123.3 31.53 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.466 1.104 . . . . 0.0 110.255 -179.985 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 10.3 m-85 -135.63 167.78 20.49 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.494 1.121 . . . . 0.0 111.044 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 11' ' ' VAL . . . . . 0.527 HG13 ' CA ' ' A' ' 29' ' ' GLY . 2.5 t -125.46 141.33 45.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.502 1.126 . . . . 0.0 109.29 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 12' ' ' ALA . . . . . 0.576 ' HB2' ' CD1' ' A' ' 26' ' ' PHE . . . -72.75 117.99 15.13 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.532 1.145 . . . . 0.0 109.337 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.429 ' N ' ' O ' ' A' ' 58' ' ' HIS . 3.2 pt -66.59 -13.65 16.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.491 1.12 . . . . 0.0 109.331 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -166.09 153.14 9.75 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.124 . . . . 0.0 109.326 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 3.5 p-10 -64.99 144.76 57.08 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.468 1.105 . . . . 0.0 109.295 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' TYR . . . . . 0.485 ' CG ' ' N ' ' A' ' 17' ' ' ALA . 32.1 t80 -132.51 166.5 21.92 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.507 1.13 . . . . 0.0 111.001 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 17' ' ' ALA . . . . . 0.485 ' N ' ' CG ' ' A' ' 16' ' ' TYR . . . -139.37 111.85 7.68 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.471 1.107 . . . . 0.0 109.314 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 0.432 ' HA ' ' CE2' ' A' ' 16' ' ' TYR . . . -54.89 123.83 14.72 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.517 1.136 . . . . 0.0 109.289 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -87.77 -8.75 55.56 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.515 1.134 . . . . 0.0 110.416 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 20' ' ' ASP . . . . . 0.424 ' HB2' HE21 ' A' ' 23' ' ' GLN . 1.1 m-20 -134.2 171.67 13.93 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.51 1.131 . . . . 0.0 109.33 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -90.43 18.03 6.65 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.498 1.124 . . . . 0.0 110.307 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 69.1 p -122.09 -1.25 9.31 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.546 1.153 . . . . 0.0 110.401 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' GLN . . . . . 0.424 HE21 ' HB2' ' A' ' 20' ' ' ASP . 45.3 mt-30 -105.9 162.1 13.87 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.461 1.101 . . . . 0.0 110.288 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.583 HD13 ' CG ' ' A' ' 47' ' ' ARG . 21.7 mt -104.04 146.85 28.12 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.494 1.122 . . . . 0.0 109.315 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 14.6 p -119.25 129.55 54.98 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.533 1.145 . . . . 0.0 109.965 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' PHE . . . . . 0.6 ' CB ' HD11 ' A' ' 32' ' ' ILE . 5.7 p90 -140.89 -179.24 5.95 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.511 1.132 . . . . 0.0 111.001 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.57 HD12 ' N ' ' A' ' 28' ' ' ARG . 0.1 OUTLIER -124.44 142.83 51.01 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.549 1.156 . . . . 0.0 109.333 179.966 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 28' ' ' ARG . . . . . 0.57 ' N ' HD12 ' A' ' 27' ' ' LEU . 1.5 ttt-85 -40.15 126.62 2.16 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.551 1.157 . . . . 0.0 110.339 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 29' ' ' GLY . . . . . 0.527 ' CA ' HG13 ' A' ' 11' ' ' VAL . . . 101.4 -24.99 29.75 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.498 1.124 . . . . 0.0 110.991 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 4.4 mt-10 -53.83 132.53 41.76 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.49 0.759 . . . . 0.0 110.305 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -77.24 97.82 4.94 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.49 1.119 . . . . 0.0 109.336 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.6 HD11 ' CB ' ' A' ' 26' ' ' PHE . 4.4 mm -92.34 138.42 19.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.482 1.114 . . . . 0.0 109.287 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.482 HD22 ' HG3' ' A' ' 9' ' ' GLU . 0.1 OUTLIER -100.93 117.96 36.02 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.448 1.093 . . . . 0.0 109.258 -179.954 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.724 ' CD1' HD11 ' A' ' 54' ' ' ILE . 31.0 mm -92.32 78.86 1.39 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.517 1.136 . . . . 0.0 109.309 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.451 ' CD1' ' HB3' ' A' ' 46' ' ' GLU . 7.8 mp -45.39 -67.83 0.25 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.456 1.098 . . . . 0.0 109.267 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 42.5 mtt180 -134.41 172.32 13.06 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.538 1.149 . . . . 0.0 110.294 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 37' ' ' GLN . . . . . 0.402 ' O ' ' C ' ' A' ' 38' ' ' THR . 24.9 mt-30 -131.56 66.5 1.54 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.529 1.143 . . . . 0.0 110.29 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 38' ' ' THR . . . . . 0.767 HG22 HG23 ' A' ' 39' ' ' THR . 1.8 m -38.28 -39.93 0.48 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.404 1.065 . . . . 0.0 110.432 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 39' ' ' THR . . . . . 0.767 HG23 HG22 ' A' ' 38' ' ' THR . 69.8 p -135.89 177.98 7.4 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.499 1.125 . . . . 0.0 110.382 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -93.11 -3.59 53.82 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.547 1.154 . . . . 0.0 109.342 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 31.8 m-20 -114.28 -35.99 4.81 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.524 1.14 . . . . 0.0 109.287 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 83.6 m95 -113.11 125.82 54.78 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 107.999 -1.111 . . . . 0.0 107.999 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 44.3 m0 -113.9 148.67 36.37 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.501 1.126 . . . . 0.0 108.023 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 47.8 t-105 -99.91 105.38 17.09 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.512 1.133 . . . . 0.0 108.018 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -102.11 176.01 25.41 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.447 1.092 . . . . 0.0 110.99 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 46' ' ' GLU . . . . . 0.451 ' HB3' ' CD1' ' A' ' 35' ' ' LEU . 28.3 tt0 -144.11 120.77 11.14 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.508 0.77 . . . . 0.0 110.287 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 47' ' ' ARG . . . . . 0.583 ' CG ' HD13 ' A' ' 24' ' ' LEU . 0.0 OUTLIER -90.91 -172.69 3.43 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.486 1.116 . . . . 0.0 110.312 179.971 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -63.74 103.44 0.56 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.539 1.149 . . . . 0.0 109.262 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 62.32 9.39 23.27 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.496 1.123 . . . . 0.0 110.991 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 1.3 m -114.59 163.17 15.78 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 108.304 -0.998 . . . . 0.0 108.304 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 8.2 p -148.5 112.86 5.28 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.473 1.108 . . . . 0.0 108.321 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -148.05 177.03 26.58 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.55 1.156 . . . . 0.0 110.967 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 2.7 m-85 -92.61 148.57 21.97 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.5 0.765 . . . . 0.0 110.97 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 54' ' ' ILE . . . . . 0.724 HD11 ' CD1' ' A' ' 34' ' ' ILE . 14.7 pt -131.48 152.29 80.22 Favored Pre-proline 0 C--N 1.324 -0.518 0 O-C-N 124.507 1.129 . . . . 0.0 109.289 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 168.44 24.83 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.455 1.766 . . . . 0.0 111.015 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -115.27 87.13 2.59 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.47 1.106 . . . . 0.0 109.298 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER 167.7 -35.84 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.455 1.097 . . . . 0.0 109.331 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 58' ' ' HIS . . . . . 0.429 ' O ' ' N ' ' A' ' 13' ' ' ILE . 12.3 m80 -72.77 -19.21 61.4 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.467 1.104 . . . . 0.0 109.596 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 16.3 m . . . . . 0 C--N 1.325 -0.46 0 O-C-N 124.491 1.119 . . . . 0.0 109.304 179.999 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 7' ' ' GLY . . . . . 0.476 ' HA3' ' CD1' ' A' ' 33' ' ' LEU . . . . . . . . 0 CA--C 1.53 1.003 0 N-CA-C 111.016 -0.834 . . . . 0.0 111.016 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 8' ' ' GLU . . . . . 0.468 ' CB ' ' HB ' ' A' ' 34' ' ' ILE . 0.0 OUTLIER -129.17 102.98 6.71 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.526 0.78 . . . . 0.0 110.262 -179.953 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 9' ' ' GLU . . . . . 0.464 ' HG2' HD22 ' A' ' 33' ' ' LEU . 0.4 OUTLIER -69.04 121.51 16.82 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.472 1.107 . . . . 0.0 110.305 179.981 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 8.0 m-85 -133.53 171.53 13.96 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.509 1.131 . . . . 0.0 110.989 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 11' ' ' VAL . . . . . 0.523 HG13 ' HA2' ' A' ' 29' ' ' GLY . 2.1 t -126.71 137.65 57.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.44 1.087 . . . . 0.0 109.27 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -71.47 127.95 34.24 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.49 1.119 . . . . 0.0 109.259 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.615 HD11 ' O ' ' A' ' 57' ' ' ASN . 3.2 pt -83.6 2.85 3.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.482 1.114 . . . . 0.0 109.308 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -170.99 161.88 7.05 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.441 1.088 . . . . 0.0 109.287 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 15' ' ' ASP . . . . . 0.422 ' OD1' ' N ' ' A' ' 15' ' ' ASP . 0.1 OUTLIER -84.59 110.45 18.73 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.485 1.116 . . . . 0.0 109.3 179.986 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 16' ' ' TYR . . . . . 0.422 ' HB3' ' CE1' ' A' ' 26' ' ' PHE . 8.1 t80 -106.15 146.39 30.28 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.469 1.106 . . . . 0.0 110.982 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 17' ' ' ALA . . . . . 0.409 ' N ' ' CD1' ' A' ' 16' ' ' TYR . . . -129.48 102.64 6.48 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.493 1.121 . . . . 0.0 109.286 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 0.408 ' HB1' ' HB2' ' A' ' 23' ' ' GLN . . . -53.38 145.55 14.12 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.515 1.134 . . . . 0.0 109.332 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -97.19 -38.28 9.77 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.496 1.123 . . . . 0.0 110.424 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -104.5 -175.57 2.83 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.496 1.123 . . . . 0.0 109.288 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 6.8 pt-20 -96.14 18.28 13.91 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.478 1.112 . . . . 0.0 110.289 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 28.4 p -108.29 -0.24 20.91 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.488 1.117 . . . . 0.0 110.361 -179.935 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' GLN . . . . . 0.408 ' HB2' ' HB1' ' A' ' 18' ' ' ALA . 43.4 mt-30 -130.56 154.46 47.81 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.444 1.09 . . . . 0.0 110.284 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.509 HD13 ' CG ' ' A' ' 47' ' ' ARG . 85.9 mt -101.23 155.84 17.78 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.515 1.134 . . . . 0.0 109.289 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 25' ' ' SER . . . . . 0.403 ' O ' ' NH1' ' A' ' 47' ' ' ARG . 54.8 p -116.86 133.87 55.48 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.542 1.151 . . . . 0.0 110.043 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 26' ' ' PHE . . . . . 0.613 ' CB ' HD11 ' A' ' 32' ' ' ILE . 2.4 p90 -145.58 173.98 11.57 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.497 1.123 . . . . 0.0 111.004 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.608 HD12 ' N ' ' A' ' 28' ' ' ARG . 0.1 OUTLIER -117.34 145.89 43.74 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.491 1.12 . . . . 0.0 109.313 -179.995 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 28' ' ' ARG . . . . . 0.608 ' N ' HD12 ' A' ' 27' ' ' LEU . 72.2 ttt180 -43.8 110.55 0.21 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.531 1.144 . . . . 0.0 110.305 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 29' ' ' GLY . . . . . 0.523 ' HA2' HG13 ' A' ' 11' ' ' VAL . . . 120.05 -35.77 3.68 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.492 1.12 . . . . 0.0 110.989 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -44.01 131.61 5.72 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.505 0.768 . . . . 0.0 110.319 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 1.5 mptt -76.12 100.88 5.13 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.523 1.14 . . . . 0.0 109.299 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.613 HD11 ' CB ' ' A' ' 26' ' ' PHE . 5.3 mm -94.33 126.48 46.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.506 1.129 . . . . 0.0 109.271 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.476 ' CD1' ' HA3' ' A' ' 7' ' ' GLY . 0.2 OUTLIER -88.18 117.81 27.33 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.467 1.105 . . . . 0.0 109.321 179.998 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.65 ' CD1' HD11 ' A' ' 54' ' ' ILE . 26.5 mm -92.35 82.01 1.73 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.491 1.119 . . . . 0.0 109.295 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.446 ' CD1' ' HB3' ' A' ' 46' ' ' GLU . 8.2 mp -48.05 -69.24 0.13 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.451 1.095 . . . . 0.0 109.294 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 3.9 ttt180 -135.92 172.24 13.3 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.499 1.124 . . . . 0.0 110.276 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 37' ' ' GLN . . . . . 0.52 ' HG2' ' CD2' ' A' ' 43' ' ' TRP . 12.0 mt-30 -128.91 71.5 1.42 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.51 1.131 . . . . 0.0 110.331 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 38' ' ' THR . . . . . 0.635 HG22 HG23 ' A' ' 39' ' ' THR . 6.8 m -38.48 -33.01 0.09 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.483 1.115 . . . . 0.0 110.4 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 39' ' ' THR . . . . . 0.635 HG23 HG22 ' A' ' 38' ' ' THR . 68.6 p -148.82 -176.36 5.3 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.492 1.12 . . . . 0.0 110.413 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -98.8 8.84 44.52 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.517 1.136 . . . . 0.0 109.283 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -119.32 -40.51 2.8 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.511 1.132 . . . . 0.0 109.277 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 81.3 m95 -120.77 129.25 53.52 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 108.009 -1.108 . . . . 0.0 108.009 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 43' ' ' TRP . . . . . 0.52 ' CD2' ' HG2' ' A' ' 37' ' ' GLN . 47.0 m0 -112.53 153.42 27.51 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 107.973 -1.121 . . . . 0.0 107.973 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 44' ' ' TRP . . . . . 0.475 ' CE3' ' CD2' ' A' ' 53' ' ' TYR . 68.2 t-105 -99.99 105.18 16.84 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.517 1.136 . . . . 0.0 108.02 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -102.29 171.03 21.01 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.459 1.1 . . . . 0.0 110.982 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 46' ' ' GLU . . . . . 0.446 ' HB3' ' CD1' ' A' ' 35' ' ' LEU . 20.3 tt0 -139.5 120.65 14.74 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.512 0.772 . . . . 0.0 110.264 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 47' ' ' ARG . . . . . 0.509 ' CG ' HD13 ' A' ' 24' ' ' LEU . 8.9 mmm-85 -91.16 -175.34 4.26 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.51 1.131 . . . . 0.0 110.296 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -60.84 103.84 0.3 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.481 1.113 . . . . 0.0 109.23 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 62.92 8.0 19.75 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.473 1.108 . . . . 0.0 111.009 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -114.8 162.34 17.0 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 108.335 -0.987 . . . . 0.0 108.335 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 7.6 m -148.77 112.86 5.19 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.515 1.134 . . . . 0.0 108.332 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -148.42 179.15 25.5 Favored Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.505 1.128 . . . . 0.0 111.022 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 53' ' ' TYR . . . . . 0.475 ' CD2' ' CE3' ' A' ' 44' ' ' TRP . 1.4 m-85 -93.83 154.1 17.92 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.469 0.747 . . . . 0.0 110.995 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 54' ' ' ILE . . . . . 0.65 HD11 ' CD1' ' A' ' 34' ' ' ILE . 3.7 pt -137.01 151.18 71.6 Favored Pre-proline 0 C--N 1.326 -0.438 0 O-C-N 124.473 1.108 . . . . 0.0 109.296 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 167.88 26.07 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.483 1.781 . . . . 0.0 111.007 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -112.52 85.62 2.2 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.13 . . . . 0.0 109.309 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 57' ' ' ASN . . . . . 0.615 ' O ' HD11 ' A' ' 13' ' ' ILE . 1.5 t-20 168.83 -35.45 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.492 1.12 . . . . 0.0 109.278 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 58' ' ' HIS . . . . . 0.437 ' O ' ' CG1' ' A' ' 13' ' ' ILE . 3.1 m170 -72.62 -28.12 62.57 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.471 1.107 . . . . 0.0 109.586 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 21.4 m . . . . . 0 C--N 1.324 -0.51 0 O-C-N 124.54 1.15 . . . . 0.0 109.321 179.952 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 7' ' ' GLY . . . . . 0.446 ' HA3' ' CD1' ' A' ' 33' ' ' LEU . . . . . . . . 0 CA--C 1.53 1.002 0 N-CA-C 111.04 -0.824 . . . . 0.0 111.04 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -125.56 113.53 17.55 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.529 0.781 . . . . 0.0 110.29 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 9' ' ' GLU . . . . . 0.511 ' HG3' HD22 ' A' ' 33' ' ' LEU . 0.0 OUTLIER -78.04 108.64 11.47 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.512 1.133 . . . . 0.0 110.315 179.977 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 6.5 m-85 -111.99 166.85 10.87 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.518 1.136 . . . . 0.0 110.973 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 11' ' ' VAL . . . . . 0.482 HG22 ' O ' ' A' ' 29' ' ' GLY . 2.1 t -123.98 137.11 58.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.491 1.119 . . . . 0.0 109.295 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 12' ' ' ALA . . . . . 0.41 ' HB2' ' CD1' ' A' ' 26' ' ' PHE . . . -71.8 118.01 14.11 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.49 1.119 . . . . 0.0 109.291 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 2.4 pt -72.95 -11.16 14.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.469 1.106 . . . . 0.0 109.333 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -169.37 137.98 1.94 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.52 1.138 . . . . 0.0 109.259 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 1.6 p30 -54.71 142.62 27.91 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.502 1.126 . . . . 0.0 109.282 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 51.4 t80 -131.43 155.1 47.92 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.494 1.121 . . . . 0.0 110.991 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -127.53 113.15 15.76 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.538 1.149 . . . . 0.0 109.318 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 0.72 ' HB1' ' HB2' ' A' ' 23' ' ' GLN . . . -52.95 129.0 29.08 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.485 1.115 . . . . 0.0 109.275 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -85.51 -27.74 25.43 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.477 1.111 . . . . 0.0 110.414 179.939 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 21.0 m-20 -113.69 -176.03 2.81 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.5 1.125 . . . . 0.0 109.301 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -98.31 18.03 17.35 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.485 1.116 . . . . 0.0 110.328 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 39.5 p -127.46 16.6 7.06 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.461 1.101 . . . . 0.0 110.423 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' GLN . . . . . 0.72 ' HB2' ' HB1' ' A' ' 18' ' ' ALA . 96.3 mt-30 -115.53 163.99 14.95 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.47 1.106 . . . . 0.0 110.276 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.637 HD13 ' CG ' ' A' ' 47' ' ' ARG . 19.6 mt -110.09 140.14 44.47 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.524 1.14 . . . . 0.0 109.263 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 14.7 m -115.36 130.52 56.92 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.513 1.133 . . . . 0.0 109.969 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' PHE . . . . . 0.526 ' CB ' HD11 ' A' ' 32' ' ' ILE . 3.3 p90 -140.07 175.16 9.82 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.511 1.132 . . . . 0.0 111.007 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.585 HD12 ' N ' ' A' ' 28' ' ' ARG . 0.1 OUTLIER -115.49 143.84 44.73 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.447 1.092 . . . . 0.0 109.328 179.996 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 28' ' ' ARG . . . . . 0.585 ' N ' HD12 ' A' ' 27' ' ' LEU . 3.9 ttt-85 -42.18 113.7 0.47 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.512 1.133 . . . . 0.0 110.322 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 29' ' ' GLY . . . . . 0.482 ' O ' HG22 ' A' ' 11' ' ' VAL . . . 117.42 -36.71 3.59 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.512 1.132 . . . . 0.0 110.946 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -43.72 132.71 4.94 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.509 0.77 . . . . 0.0 110.304 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 1.8 mptt -77.7 103.77 7.83 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.482 1.114 . . . . 0.0 109.316 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.526 HD11 ' CB ' ' A' ' 26' ' ' PHE . 4.9 mm -96.47 129.2 46.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.505 1.128 . . . . 0.0 109.326 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.511 HD22 ' HG3' ' A' ' 9' ' ' GLU . 0.1 OUTLIER -91.24 120.78 32.44 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.518 1.136 . . . . 0.0 109.316 -179.985 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.715 HD12 HD11 ' A' ' 54' ' ' ILE . 10.1 mm -98.07 100.88 11.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 0.0 109.331 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.414 HD21 ' CB ' ' A' ' 46' ' ' GLU . 2.8 mm? -69.02 -68.42 0.4 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.483 1.115 . . . . 0.0 109.326 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -124.59 170.59 10.78 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.497 1.123 . . . . 0.0 110.344 179.948 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 37' ' ' GLN . . . . . 0.45 ' O ' ' N ' ' A' ' 39' ' ' THR . 59.6 mt-30 -100.86 -23.09 14.64 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.465 1.103 . . . . 0.0 110.24 -179.946 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 38' ' ' THR . . . . . 0.424 HG22 HG23 ' A' ' 39' ' ' THR . 92.1 m 65.02 -74.3 0.05 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.501 1.125 . . . . 0.0 110.401 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 39' ' ' THR . . . . . 0.69 ' O ' ' HB2' ' A' ' 40' ' ' ALA . 9.4 p -123.8 -65.33 1.08 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.515 1.134 . . . . 0.0 110.408 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 40' ' ' ALA . . . . . 0.69 ' HB2' ' O ' ' A' ' 39' ' ' THR . . . 163.85 -31.89 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.529 1.143 . . . . 0.0 109.305 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -93.6 -25.85 17.35 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.509 1.131 . . . . 0.0 109.297 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 90.5 m95 -122.43 123.77 42.09 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.499 1.124 . . . . 0.0 107.968 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 44.1 m0 -112.52 153.31 27.66 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.533 1.146 . . . . 0.0 107.986 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 44' ' ' TRP . . . . . 0.508 ' CE3' ' CD2' ' A' ' 53' ' ' TYR . 56.4 t-105 -104.0 108.34 19.64 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 107.985 -1.117 . . . . 0.0 107.985 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -107.59 -179.36 22.27 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.475 1.11 . . . . 0.0 111.014 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 46' ' ' GLU . . . . . 0.414 ' CB ' HD21 ' A' ' 35' ' ' LEU . 28.8 tt0 -142.94 120.68 11.88 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.5 0.765 . . . . 0.0 110.339 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 47' ' ' ARG . . . . . 0.637 ' CG ' HD13 ' A' ' 24' ' ' LEU . 0.1 OUTLIER -92.77 179.9 5.34 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.52 1.138 . . . . 0.0 110.299 -179.994 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -56.49 103.46 0.11 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.488 1.118 . . . . 0.0 109.287 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 62.73 7.67 16.96 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.541 1.151 . . . . 0.0 111.009 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 50' ' ' CYS . . . . . 0.427 ' C ' ' HG ' ' A' ' 51' ' ' CYS . 1.2 m -115.15 158.63 21.96 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 108.321 -0.992 . . . . 0.0 108.321 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 51' ' ' CYS . . . . . 0.427 ' HG ' ' C ' ' A' ' 50' ' ' CYS . 7.4 m -148.73 111.4 4.78 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.551 1.157 . . . . 0.0 108.266 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -148.87 -176.8 22.52 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.436 1.085 . . . . 0.0 110.995 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 53' ' ' TYR . . . . . 0.508 ' CD2' ' CE3' ' A' ' 44' ' ' TRP . 1.5 m-85 -92.49 151.71 20.05 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.507 0.769 . . . . 0.0 111.005 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 54' ' ' ILE . . . . . 0.715 HD11 HD12 ' A' ' 34' ' ' ILE . 3.6 pt -135.11 148.57 67.18 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.509 1.13 . . . . 0.0 109.314 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 55' ' ' PRO . . . . . 0.409 ' HD3' ' HA ' ' A' ' 54' ' ' ILE . 18.1 Cg_endo -75.04 160.47 40.0 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.453 1.765 . . . . 0.0 111.001 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -108.28 83.16 1.74 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.566 1.166 . . . . 0.0 109.331 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 25.5 t-20 177.19 -40.35 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.537 1.148 . . . . 0.0 109.317 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 40.8 m80 -70.55 -20.4 62.8 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.449 1.093 . . . . 0.0 109.634 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 10.9 m . . . . . 0 C--N 1.325 -0.46 0 O-C-N 124.536 1.148 . . . . 0.0 109.268 -179.985 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.028 0 N-CA-C 110.966 -0.854 . . . . 0.0 110.966 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -120.35 109.2 15.07 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.515 0.773 . . . . 0.0 110.338 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -73.4 120.47 19.05 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.52 1.137 . . . . 0.0 110.315 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 5.7 m-85 -131.12 160.87 33.47 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.543 1.152 . . . . 0.0 111.011 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 11' ' ' VAL . . . . . 0.592 HG13 ' HA2' ' A' ' 29' ' ' GLY . 2.1 t -117.74 142.03 33.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.533 1.145 . . . . 0.0 109.269 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 12' ' ' ALA . . . . . 0.421 ' O ' ' HA ' ' A' ' 28' ' ' ARG . . . -74.93 118.21 17.64 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.529 1.143 . . . . 0.0 109.278 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.435 ' CG1' ' O ' ' A' ' 58' ' ' HIS . 2.5 pt -76.02 -3.69 5.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.493 1.121 . . . . 0.0 109.308 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -171.16 138.31 1.23 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.542 1.152 . . . . 0.0 109.256 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 6.4 p-10 -60.73 140.45 57.53 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.445 1.09 . . . . 0.0 109.309 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 53.7 t80 -130.88 161.36 32.02 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.543 1.152 . . . . 0.0 111.009 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -133.33 115.61 15.11 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.474 1.109 . . . . 0.0 109.314 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -53.94 115.76 2.19 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.462 1.101 . . . . 0.0 109.29 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 72.0 p -82.67 -10.11 59.07 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.492 1.12 . . . . 0.0 110.425 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' ASP . . . . . 0.45 ' HB2' HE21 ' A' ' 23' ' ' GLN . 2.7 m-20 -138.25 173.97 11.05 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.474 1.109 . . . . 0.0 109.33 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 13.5 pt-20 -88.47 17.25 5.49 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.545 1.153 . . . . 0.0 110.243 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 21.0 p -123.15 13.41 9.67 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.454 1.097 . . . . 0.0 110.441 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' GLN . . . . . 0.45 HE21 ' HB2' ' A' ' 20' ' ' ASP . 36.2 mt-30 -125.06 157.08 37.12 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.479 1.112 . . . . 0.0 110.28 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.669 HD13 ' CG ' ' A' ' 47' ' ' ARG . 12.7 mt -100.1 146.13 27.15 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.514 1.133 . . . . 0.0 109.347 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 79.7 p -111.94 137.81 49.42 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.512 1.132 . . . . 0.0 109.969 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' PHE . . . . . 0.659 ' CB ' HD11 ' A' ' 32' ' ' ILE . 11.0 p90 -154.39 -178.9 7.46 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.501 1.125 . . . . 0.0 111.029 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.594 HD12 ' N ' ' A' ' 28' ' ' ARG . 0.1 OUTLIER -127.69 142.86 51.22 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.533 1.145 . . . . 0.0 109.339 179.983 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 28' ' ' ARG . . . . . 0.594 ' N ' HD12 ' A' ' 27' ' ' LEU . 8.8 ttt85 -39.16 115.33 0.48 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.531 1.144 . . . . 0.0 110.32 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 29' ' ' GLY . . . . . 0.592 ' HA2' HG13 ' A' ' 11' ' ' VAL . . . 114.65 -40.41 2.48 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.525 1.141 . . . . 0.0 111.01 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -39.04 134.38 1.05 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.509 0.77 . . . . 0.0 110.313 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.453 ' O ' ' NH2' ' A' ' 47' ' ' ARG . 0.3 OUTLIER -74.81 100.34 4.01 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.549 1.156 . . . . 0.0 109.302 -179.998 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.659 HD11 ' CB ' ' A' ' 26' ' ' PHE . 4.4 mm -95.45 123.95 47.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.53 1.144 . . . . 0.0 109.262 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.497 HD12 HD12 ' A' ' 35' ' ' LEU . 0.2 OUTLIER -89.5 117.66 28.57 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.484 1.115 . . . . 0.0 109.321 179.967 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.615 ' CD1' HD11 ' A' ' 54' ' ' ILE . 33.3 mm -91.16 77.63 1.35 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.472 1.107 . . . . 0.0 109.279 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.657 HD22 ' HB2' ' A' ' 46' ' ' GLU . 7.0 mp -46.1 -67.61 0.27 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.426 1.079 . . . . 0.0 109.345 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 5.6 ttt180 -128.38 163.01 25.77 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.496 1.122 . . . . 0.0 110.313 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 37' ' ' GLN . . . . . 0.445 ' O ' ' N ' ' A' ' 39' ' ' THR . 6.6 mt-30 -99.08 -50.83 4.03 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.513 1.133 . . . . 0.0 110.302 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 21.0 m 66.61 -69.79 0.12 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.497 1.123 . . . . 0.0 110.409 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 39' ' ' THR . . . . . 0.445 ' N ' ' O ' ' A' ' 37' ' ' GLN . 14.4 p -123.22 160.58 26.28 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.53 1.144 . . . . 0.0 110.406 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -86.51 10.49 15.15 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.562 1.164 . . . . 0.0 109.308 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 3.6 t0 -121.73 -42.22 2.43 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.464 1.102 . . . . 0.0 109.262 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 78.8 m95 -120.52 130.26 54.17 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.474 1.109 . . . . 0.0 108.028 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 45.4 m0 -113.15 160.12 18.55 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.484 1.115 . . . . 0.0 108.015 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 41.0 t-105 -106.79 107.92 19.17 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.498 1.123 . . . . 0.0 107.975 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -105.02 174.78 21.73 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.478 1.111 . . . . 0.0 110.993 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 46' ' ' GLU . . . . . 0.657 ' HB2' HD22 ' A' ' 35' ' ' LEU . 20.1 tt0 -146.62 120.22 9.14 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.464 0.744 . . . . 0.0 110.256 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 47' ' ' ARG . . . . . 0.669 ' CG ' HD13 ' A' ' 24' ' ' LEU . 0.0 OUTLIER -93.65 -176.09 3.96 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.526 1.141 . . . . 0.0 110.303 179.945 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -57.85 103.17 0.12 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.464 1.103 . . . . 0.0 109.24 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 62.4 9.2 22.81 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.486 1.116 . . . . 0.0 110.98 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 1.1 m -114.45 157.35 23.02 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 108.289 -1.004 . . . . 0.0 108.289 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 8.2 p -148.46 112.2 5.09 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.481 1.113 . . . . 0.0 108.267 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -148.14 178.96 25.38 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.551 1.157 . . . . 0.0 111.013 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 2.7 m-85 -91.86 148.91 21.87 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.55 0.794 . . . . 0.0 111.033 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 54' ' ' ILE . . . . . 0.615 HD11 ' CD1' ' A' ' 34' ' ' ILE . 5.1 pt -134.42 151.41 76.13 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.52 1.138 . . . . 0.0 109.324 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 55' ' ' PRO . . . . . 0.402 ' HD3' ' HA ' ' A' ' 54' ' ' ILE . 18.3 Cg_endo -74.99 167.32 27.31 Favored 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.499 1.789 . . . . 0.0 111.033 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -111.3 84.48 1.95 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.503 1.127 . . . . 0.0 109.286 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 1.8 t-20 170.68 -35.39 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.511 1.132 . . . . 0.0 109.295 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 58' ' ' HIS . . . . . 0.435 ' O ' ' CG1' ' A' ' 13' ' ' ILE . 13.9 m80 -69.28 -28.47 66.32 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.478 1.111 . . . . 0.0 109.623 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 13.3 m . . . . . 0 C--N 1.325 -0.498 0 O-C-N 124.516 1.135 . . . . 0.0 109.332 179.967 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.997 0 N-CA-C 110.979 -0.849 . . . . 0.0 110.979 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 8.9 mt-10 -121.41 135.13 55.1 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.529 0.782 . . . . 0.0 110.286 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 9' ' ' GLU . . . . . 0.407 ' HG3' HD22 ' A' ' 33' ' ' LEU . 0.0 OUTLIER -90.89 117.82 29.79 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.461 1.1 . . . . 0.0 110.319 179.971 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 14.6 m-85 -115.89 163.39 15.95 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.537 1.148 . . . . 0.0 111.013 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 11' ' ' VAL . . . . . 0.493 HG13 ' HA2' ' A' ' 29' ' ' GLY . 2.3 t -124.09 136.45 60.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.498 1.124 . . . . 0.0 109.267 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 12' ' ' ALA . . . . . 0.404 ' O ' ' HA ' ' A' ' 28' ' ' ARG . . . -70.96 117.9 13.04 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.486 1.116 . . . . 0.0 109.292 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.407 ' N ' ' O ' ' A' ' 58' ' ' HIS . 2.9 pt -66.14 -17.27 22.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.458 1.098 . . . . 0.0 109.319 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -163.81 156.82 18.21 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.472 1.107 . . . . 0.0 109.308 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 2.9 p-10 -62.37 143.79 56.57 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.406 1.066 . . . . 0.0 109.316 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' TYR . . . . . 0.529 ' HB3' ' CE1' ' A' ' 26' ' ' PHE . 11.2 t80 -133.17 152.49 51.94 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.533 1.145 . . . . 0.0 110.974 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -129.9 114.45 15.89 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.491 1.119 . . . . 0.0 109.284 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 0.669 ' HB1' ' HB2' ' A' ' 23' ' ' GLN . . . -53.12 130.94 35.83 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.515 1.134 . . . . 0.0 109.289 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -84.45 -36.5 22.29 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.45 1.094 . . . . 0.0 110.388 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 5.3 t0 -108.43 -172.65 2.1 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.566 1.166 . . . . 0.0 109.265 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -99.82 17.66 20.21 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.48 1.112 . . . . 0.0 110.293 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 40.9 p -127.79 28.95 5.53 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.459 1.1 . . . . 0.0 110.382 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' GLN . . . . . 0.669 ' HB2' ' HB1' ' A' ' 18' ' ' ALA . 81.5 mt-30 -126.52 163.45 23.36 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.477 1.11 . . . . 0.0 110.309 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.513 HD13 ' CG ' ' A' ' 47' ' ' ARG . 21.7 mt -105.91 136.33 45.75 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.49 1.119 . . . . 0.0 109.348 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 9.8 p -109.36 133.22 53.33 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.507 1.129 . . . . 0.0 109.983 -179.933 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 26' ' ' PHE . . . . . 0.529 ' CE1' ' HB3' ' A' ' 16' ' ' TYR . 2.0 p90 -143.53 -178.96 6.14 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.459 1.099 . . . . 0.0 110.988 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.58 HD12 ' N ' ' A' ' 28' ' ' ARG . 0.1 OUTLIER -127.44 143.9 51.13 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.506 1.129 . . . . 0.0 109.289 179.973 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 28' ' ' ARG . . . . . 0.58 ' N ' HD12 ' A' ' 27' ' ' LEU . 5.3 ttt180 -39.01 122.9 1.25 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.477 1.111 . . . . 0.0 110.275 -179.942 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 29' ' ' GLY . . . . . 0.493 ' HA2' HG13 ' A' ' 11' ' ' VAL . . . 104.63 -32.0 7.99 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.498 1.124 . . . . 0.0 111.035 -179.944 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 4.8 mt-10 -45.93 129.96 9.63 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.512 0.772 . . . . 0.0 110.317 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 19.3 mmtt -76.51 102.32 6.0 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.494 1.121 . . . . 0.0 109.297 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.475 HD11 ' CB ' ' A' ' 26' ' ' PHE . 4.9 mm -94.95 158.07 2.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.541 1.151 . . . . 0.0 109.274 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.407 HD22 ' HG3' ' A' ' 9' ' ' GLU . 0.1 OUTLIER -117.88 134.0 55.37 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.47 1.106 . . . . 0.0 109.341 179.972 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.647 ' CD1' HD11 ' A' ' 54' ' ' ILE . 30.2 mm -112.41 94.9 3.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.572 1.17 . . . . 0.0 109.293 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 2.3 mm? -70.54 -63.04 1.17 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.486 1.116 . . . . 0.0 109.317 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -131.55 155.27 47.76 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.461 1.101 . . . . 0.0 110.308 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 37' ' ' GLN . . . . . 0.442 ' O ' ' N ' ' A' ' 39' ' ' THR . 38.7 mt-30 -89.71 -16.45 30.35 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.473 1.108 . . . . 0.0 110.307 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 38' ' ' THR . . . . . 0.494 HG22 HG23 ' A' ' 39' ' ' THR . 90.5 m 62.67 -78.91 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.491 1.119 . . . . 0.0 110.411 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 39' ' ' THR . . . . . 0.608 ' O ' ' HB2' ' A' ' 40' ' ' ALA . 22.9 p -116.86 -64.22 1.34 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.524 1.14 . . . . 0.0 110.459 179.945 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 40' ' ' ALA . . . . . 0.608 ' HB2' ' O ' ' A' ' 39' ' ' THR . . . 169.08 -39.88 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.487 1.117 . . . . 0.0 109.302 179.941 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -87.39 -39.05 15.62 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.493 1.121 . . . . 0.0 109.329 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 94.0 m95 -106.17 123.52 48.16 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.539 1.149 . . . . 0.0 108.003 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 43' ' ' TRP . . . . . 0.421 ' NE1' ' O ' ' A' ' 40' ' ' ALA . 43.8 m0 -112.24 154.76 25.11 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.505 1.128 . . . . 0.0 108.024 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 44' ' ' TRP . . . . . 0.539 ' CE3' ' CE2' ' A' ' 53' ' ' TYR . 56.1 t-105 -104.9 106.11 16.46 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 107.98 -1.119 . . . . 0.0 107.98 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -105.64 -171.97 23.73 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.438 1.086 . . . . 0.0 111.033 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 46' ' ' GLU . . . . . 0.402 ' HG3' ' HG ' ' A' ' 51' ' ' CYS . 34.2 tt0 -147.8 121.3 9.11 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.479 0.752 . . . . 0.0 110.312 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 47' ' ' ARG . . . . . 0.513 ' CG ' HD13 ' A' ' 24' ' ' LEU . 3.1 mmm180 -91.3 -177.14 4.77 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.484 1.115 . . . . 0.0 110.334 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -59.46 103.79 0.22 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.501 1.126 . . . . 0.0 109.267 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 62.94 7.14 14.87 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.503 1.127 . . . . 0.0 110.989 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 1.1 m -115.23 162.06 17.59 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 108.297 -1.001 . . . . 0.0 108.297 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 51' ' ' CYS . . . . . 0.402 ' HG ' ' HG3' ' A' ' 46' ' ' GLU . 11.6 m -148.59 111.18 4.74 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.546 1.154 . . . . 0.0 108.294 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -148.92 -176.9 22.64 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.488 1.117 . . . . 0.0 110.999 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 53' ' ' TYR . . . . . 0.539 ' CE2' ' CE3' ' A' ' 44' ' ' TRP . 4.2 m-85 -90.19 160.53 16.18 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.518 0.775 . . . . 0.0 111.019 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 54' ' ' ILE . . . . . 0.647 HD11 ' CD1' ' A' ' 34' ' ' ILE . 2.6 pt -144.75 147.6 36.24 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.479 1.112 . . . . 0.0 109.257 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 55' ' ' PRO . . . . . 0.407 ' HD3' ' HA ' ' A' ' 54' ' ' ILE . 18.3 Cg_endo -75.06 163.63 34.83 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.529 1.804 . . . . 0.0 111.002 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -110.19 84.03 1.86 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.514 1.134 . . . . 0.0 109.304 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 38.5 t-20 177.32 -38.56 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.449 1.093 . . . . 0.0 109.31 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 58' ' ' HIS . . . . . 0.407 ' O ' ' N ' ' A' ' 13' ' ' ILE . 29.5 m-70 -70.98 -28.1 64.2 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.529 1.143 . . . . 0.0 109.618 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 15.7 m . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.51 1.131 . . . . 0.0 109.304 179.972 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 7' ' ' GLY . . . . . 0.476 ' HA3' ' CD1' ' A' ' 33' ' ' LEU . . . . . . . . 0 CA--C 1.53 0.983 0 N-CA-C 111.006 -0.837 . . . . 0.0 111.006 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -123.81 121.2 34.79 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.503 0.767 . . . . 0.0 110.302 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 9' ' ' GLU . . . . . 0.466 ' HG3' ' CD2' ' A' ' 33' ' ' LEU . 0.1 OUTLIER -78.98 104.17 9.44 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.513 1.133 . . . . 0.0 110.288 -179.997 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 11.0 m-85 -106.88 160.39 15.55 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.519 1.137 . . . . 0.0 110.969 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 11' ' ' VAL . . . . . 0.518 HG13 ' HA2' ' A' ' 29' ' ' GLY . 2.2 t -121.21 136.55 57.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.496 1.122 . . . . 0.0 109.265 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 12' ' ' ALA . . . . . 0.405 ' O ' ' HA ' ' A' ' 28' ' ' ARG . . . -70.91 117.95 13.07 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.472 1.107 . . . . 0.0 109.361 179.945 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 3.5 pt -67.33 -18.38 23.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.482 1.114 . . . . 0.0 109.323 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -162.57 152.3 15.96 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.498 1.124 . . . . 0.0 109.311 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 4.8 p-10 -59.37 141.35 54.76 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.513 1.133 . . . . 0.0 109.295 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 16' ' ' TYR . . . . . 0.448 ' HB3' ' CE1' ' A' ' 26' ' ' PHE . 82.9 t80 -131.56 153.3 50.0 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.472 1.107 . . . . 0.0 110.977 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -128.35 112.5 14.5 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.472 1.108 . . . . 0.0 109.28 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 0.587 ' HB1' ' HB2' ' A' ' 23' ' ' GLN . . . -53.17 120.18 5.63 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.471 1.107 . . . . 0.0 109.302 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -76.7 -27.05 55.36 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.535 1.147 . . . . 0.0 110.394 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 5.3 t0 -116.76 173.21 6.76 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.525 1.141 . . . . 0.0 109.277 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -90.79 17.57 7.55 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.532 1.145 . . . . 0.0 110.321 179.94 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 81.3 p -121.96 6.76 9.81 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.452 1.095 . . . . 0.0 110.413 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 23' ' ' GLN . . . . . 0.587 ' HB2' ' HB1' ' A' ' 18' ' ' ALA . 24.3 mt-30 -108.19 170.56 7.93 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.479 1.112 . . . . 0.0 110.331 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.651 HD13 ' HG2' ' A' ' 47' ' ' ARG . 20.5 mt -110.85 142.98 42.15 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.453 1.095 . . . . 0.0 109.292 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 8.5 p -113.66 129.03 56.64 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.509 1.131 . . . . 0.0 110.026 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 26' ' ' PHE . . . . . 0.511 ' CB ' HD11 ' A' ' 32' ' ' ILE . 2.1 p90 -138.73 -178.96 5.54 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.456 1.097 . . . . 0.0 111.007 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.562 HD12 ' N ' ' A' ' 28' ' ' ARG . 0.1 OUTLIER -126.23 142.19 51.62 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.558 1.162 . . . . 0.0 109.317 179.979 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 28' ' ' ARG . . . . . 0.562 ' N ' HD12 ' A' ' 27' ' ' LEU . 9.2 ttt180 -38.89 118.1 0.73 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.435 1.084 . . . . 0.0 110.308 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 29' ' ' GLY . . . . . 0.518 ' HA2' HG13 ' A' ' 11' ' ' VAL . . . 109.0 -31.17 7.93 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.483 1.114 . . . . 0.0 110.988 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -47.24 130.72 13.1 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.536 0.786 . . . . 0.0 110.26 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 45.0 mmtt -76.99 103.21 6.79 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.522 1.139 . . . . 0.0 109.317 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.511 HD11 ' CB ' ' A' ' 26' ' ' PHE . 4.7 mm -95.59 144.64 9.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.535 1.147 . . . . 0.0 109.331 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.476 ' CD1' ' HA3' ' A' ' 7' ' ' GLY . 0.2 OUTLIER -107.13 125.17 50.72 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.515 1.134 . . . . 0.0 109.308 -179.969 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.546 ' CD1' ' CD1' ' A' ' 54' ' ' ILE . 35.0 mm -101.65 100.7 10.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.522 1.139 . . . . 0.0 109.306 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.798 HD21 ' CB ' ' A' ' 46' ' ' GLU . 0.4 OUTLIER -71.18 -67.5 0.51 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.472 1.108 . . . . 0.0 109.278 -179.997 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 12.7 mmt85 -127.1 168.46 14.59 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.453 1.096 . . . . 0.0 110.325 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 37' ' ' GLN . . . . . 0.436 ' O ' ' N ' ' A' ' 39' ' ' THR . 57.7 mt-30 -100.13 -31.29 11.48 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.461 1.1 . . . . 0.0 110.302 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 10.0 m 67.9 -66.77 0.21 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.526 1.141 . . . . 0.0 110.405 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 39' ' ' THR . . . . . 0.479 ' O ' ' HB2' ' A' ' 40' ' ' ALA . 3.3 p -123.41 -80.05 0.62 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.43 1.081 . . . . 0.0 110.345 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 40' ' ' ALA . . . . . 0.479 ' HB2' ' O ' ' A' ' 39' ' ' THR . . . 176.87 -42.25 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.519 1.137 . . . . 0.0 109.3 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -82.72 -35.42 26.7 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.455 1.097 . . . . 0.0 109.317 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 93.2 m95 -113.73 124.81 53.18 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.485 1.115 . . . . 0.0 108.003 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 43' ' ' TRP . . . . . 0.411 ' NE1' ' O ' ' A' ' 40' ' ' ALA . 46.7 m0 -111.86 161.53 16.27 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 107.954 -1.128 . . . . 0.0 107.954 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 44' ' ' TRP . . . . . 0.439 ' CE3' ' CD2' ' A' ' 53' ' ' TYR . 68.9 t-105 -108.3 109.38 20.71 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.492 1.12 . . . . 0.0 108.003 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 45' ' ' GLY . . . . . 0.509 ' HA2' HD22 ' A' ' 35' ' ' LEU . . . -105.36 -172.75 24.05 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.556 1.16 . . . . 0.0 111.004 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 46' ' ' GLU . . . . . 0.798 ' CB ' HD21 ' A' ' 35' ' ' LEU . 22.1 tt0 -152.02 120.65 6.49 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.464 0.743 . . . . 0.0 110.355 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 47' ' ' ARG . . . . . 0.651 ' HG2' HD13 ' A' ' 24' ' ' LEU . 0.3 OUTLIER -92.88 -173.7 3.38 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.473 1.108 . . . . 0.0 110.269 -179.986 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -60.93 103.14 0.24 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.527 1.142 . . . . 0.0 109.298 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 62.3 9.08 21.48 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.485 1.116 . . . . 0.0 110.958 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -114.74 160.39 19.46 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 108.326 -0.99 . . . . 0.0 108.326 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 12.0 p -148.66 112.3 5.06 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.498 1.124 . . . . 0.0 108.296 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -148.37 -177.65 22.84 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.509 1.13 . . . . 0.0 111.018 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 53' ' ' TYR . . . . . 0.439 ' CD2' ' CE3' ' A' ' 44' ' ' TRP . 10.8 m-85 -94.53 151.05 19.65 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.559 0.799 . . . . 0.0 111.014 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 54' ' ' ILE . . . . . 0.546 ' CD1' ' CD1' ' A' ' 34' ' ' ILE . 2.6 pt -132.61 150.9 77.1 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.49 1.119 . . . . 0.0 109.289 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 55' ' ' PRO . . . . . 0.401 ' HD3' ' HA ' ' A' ' 54' ' ' ILE . 18.5 Cg_endo -74.94 175.77 10.78 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.477 1.777 . . . . 0.0 111.016 179.937 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -121.94 86.27 2.55 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.543 1.152 . . . . 0.0 109.291 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 4.6 t-20 169.38 -36.56 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.495 1.122 . . . . 0.0 109.308 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 80.0 m-70 -71.73 -25.03 61.89 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.541 1.151 . . . . 0.0 109.552 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 11.0 m . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.486 1.116 . . . . 0.0 109.309 -179.995 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 7' ' ' GLY . . . . . 0.463 ' HA3' ' CD1' ' A' ' 33' ' ' LEU . . . . . . . . 0 CA--C 1.53 0.975 0 N-CA-C 110.974 -0.85 . . . . 0.0 110.974 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 24.0 mt-10 -116.42 125.92 52.7 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.514 0.773 . . . . 0.0 110.253 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 9' ' ' GLU . . . . . 0.483 ' OE1' ' CG ' ' A' ' 31' ' ' LYS . 0.0 OUTLIER -83.64 109.64 17.61 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.499 1.124 . . . . 0.0 110.28 179.972 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 11.4 m-85 -112.87 156.71 22.46 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.482 1.114 . . . . 0.0 111.021 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 11' ' ' VAL . . . . . 0.511 HG22 ' O ' ' A' ' 29' ' ' GLY . 2.1 t -116.71 140.05 40.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.522 1.139 . . . . 0.0 109.345 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 12' ' ' ALA . . . . . 0.4 ' O ' ' HA ' ' A' ' 28' ' ' ARG . . . -71.87 118.11 14.32 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.518 1.136 . . . . 0.0 109.293 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 3.0 pt -71.21 -13.59 17.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.543 1.152 . . . . 0.0 109.272 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -168.7 141.93 2.95 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.485 1.115 . . . . 0.0 109.279 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 1.9 p-10 -59.15 143.75 47.89 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.521 1.138 . . . . 0.0 109.275 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 30.6 t80 -133.56 161.79 33.66 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.492 1.12 . . . . 0.0 110.999 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -131.59 107.98 9.21 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.485 1.116 . . . . 0.0 109.311 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -53.01 123.03 10.54 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.55 1.156 . . . . 0.0 109.306 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -82.51 -22.7 34.95 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.534 1.146 . . . . 0.0 110.432 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -120.04 -177.63 3.46 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.502 1.127 . . . . 0.0 109.315 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 7.5 pt-20 -98.06 17.8 17.57 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.51 1.131 . . . . 0.0 110.298 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 81.2 p -118.1 -5.12 10.96 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.492 1.12 . . . . 0.0 110.381 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 37.4 mt-30 -103.61 159.77 15.32 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.486 1.116 . . . . 0.0 110.279 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.902 HD13 ' CG ' ' A' ' 47' ' ' ARG . 18.2 mt -106.83 144.01 34.09 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.534 1.146 . . . . 0.0 109.28 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 25' ' ' SER . . . . . 0.431 ' O ' ' NE ' ' A' ' 47' ' ' ARG . 13.3 p -112.71 133.08 54.9 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.456 1.097 . . . . 0.0 109.993 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 26' ' ' PHE . . . . . 0.457 ' CB ' HD11 ' A' ' 32' ' ' ILE . 2.2 p90 -143.76 176.59 9.13 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.493 1.12 . . . . 0.0 110.999 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.575 HD12 ' N ' ' A' ' 28' ' ' ARG . 0.1 OUTLIER -119.92 142.63 48.55 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.518 1.136 . . . . 0.0 109.289 179.984 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 28' ' ' ARG . . . . . 0.575 ' N ' HD12 ' A' ' 27' ' ' LEU . 4.9 ttt-85 -41.16 112.3 0.29 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.444 1.09 . . . . 0.0 110.295 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 29' ' ' GLY . . . . . 0.511 ' O ' HG22 ' A' ' 11' ' ' VAL . . . 118.05 -37.76 3.15 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.521 1.138 . . . . 0.0 110.964 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -40.72 131.81 2.31 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.502 0.766 . . . . 0.0 110.322 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.483 ' CG ' ' OE1' ' A' ' 9' ' ' GLU . 0.4 OUTLIER -77.35 102.92 7.0 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.499 1.125 . . . . 0.0 109.25 -179.962 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.457 HD11 ' CB ' ' A' ' 26' ' ' PHE . 4.7 mm -96.0 149.18 4.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.488 1.118 . . . . 0.0 109.262 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.463 ' CD1' ' HA3' ' A' ' 7' ' ' GLY . 0.1 OUTLIER -114.24 124.86 53.08 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.474 1.108 . . . . 0.0 109.339 179.977 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.523 ' CD1' ' CD1' ' A' ' 54' ' ' ILE . 15.1 mm -99.88 102.4 13.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.558 1.161 . . . . 0.0 109.282 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.443 HD21 ' CB ' ' A' ' 46' ' ' GLU . 3.0 mm? -71.64 -68.23 0.47 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.127 . . . . 0.0 109.282 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 14.9 mtp180 -123.2 168.78 12.0 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.524 1.14 . . . . 0.0 110.319 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 37' ' ' GLN . . . . . 0.418 ' O ' ' N ' ' A' ' 39' ' ' THR . 40.0 mt-30 -97.37 -28.56 13.97 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.506 1.129 . . . . 0.0 110.277 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 38' ' ' THR . . . . . 0.453 HG21 ' HE1' ' A' ' 53' ' ' TYR . 28.7 m 67.25 -68.57 0.15 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.495 1.122 . . . . 0.0 110.362 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 39' ' ' THR . . . . . 0.486 ' O ' ' HB2' ' A' ' 40' ' ' ALA . 51.2 p -130.21 -78.66 0.54 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.528 1.143 . . . . 0.0 110.368 -179.959 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 40' ' ' ALA . . . . . 0.486 ' HB2' ' O ' ' A' ' 39' ' ' THR . . . 176.49 -37.37 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.509 1.131 . . . . 0.0 109.263 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 22.7 m-20 -91.34 -18.01 24.97 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.475 1.11 . . . . 0.0 109.282 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 94.3 m95 -130.78 123.04 28.29 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.502 1.126 . . . . 0.0 108.012 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 45.6 m0 -112.38 163.65 14.18 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.507 1.129 . . . . 0.0 107.974 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 44' ' ' TRP . . . . . 0.405 ' CE3' ' CD2' ' A' ' 53' ' ' TYR . 67.5 t-105 -112.66 115.0 27.87 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 107.969 -1.123 . . . . 0.0 107.969 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -113.19 -179.24 19.4 Favored Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.529 1.143 . . . . 0.0 110.982 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 46' ' ' GLU . . . . . 0.443 ' CB ' HD21 ' A' ' 35' ' ' LEU . 40.5 tt0 -140.56 120.73 13.82 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.509 0.77 . . . . 0.0 110.277 -179.959 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 47' ' ' ARG . . . . . 0.902 ' CG ' HD13 ' A' ' 24' ' ' LEU . 0.0 OUTLIER -92.14 -174.43 3.75 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.464 1.103 . . . . 0.0 110.282 -179.988 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -62.02 102.97 0.32 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.446 1.091 . . . . 0.0 109.278 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 62.42 8.16 17.9 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.53 1.144 . . . . 0.0 110.991 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 1.3 m -115.07 161.63 18.11 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 108.326 -0.991 . . . . 0.0 108.326 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 12.8 p -148.5 111.53 4.87 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.479 1.112 . . . . 0.0 108.317 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -148.58 -176.97 22.44 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.487 1.117 . . . . 0.0 111.009 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 53' ' ' TYR . . . . . 0.453 ' HE1' HG21 ' A' ' 38' ' ' THR . 11.3 m-85 -91.1 162.5 14.65 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.536 0.786 . . . . 0.0 110.998 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 54' ' ' ILE . . . . . 0.523 ' CD1' ' CD1' ' A' ' 34' ' ' ILE . 4.0 pt -145.83 149.65 40.25 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.518 1.136 . . . . 0.0 109.306 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 155.69 42.99 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.524 1.802 . . . . 0.0 110.988 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 56' ' ' ALA . . . . . 0.429 ' CB ' ' O ' ' A' ' 40' ' ' ALA . . . -100.63 80.78 2.23 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.129 . . . . 0.0 109.303 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 14.3 t-20 173.56 -47.61 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.497 1.123 . . . . 0.0 109.312 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 1.7 m-70 -58.18 -19.91 36.95 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.445 1.091 . . . . 0.0 109.597 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 7.7 m . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.426 1.079 . . . . 0.0 109.297 179.985 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 7' ' ' GLY . . . . . 0.434 ' HA3' ' CD1' ' A' ' 33' ' ' LEU . . . . . . . . 0 CA--C 1.53 0.969 0 N-CA-C 111.012 -0.835 . . . . 0.0 111.012 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 8' ' ' GLU . . . . . 0.421 ' O ' HD13 ' A' ' 33' ' ' LEU . 0.1 OUTLIER -110.14 117.22 33.13 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.467 0.745 . . . . 0.0 110.316 179.992 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 9' ' ' GLU . . . . . 0.502 ' HA ' HD22 ' A' ' 33' ' ' LEU . 0.4 OUTLIER -80.28 133.47 35.97 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.442 1.089 . . . . 0.0 110.298 -179.966 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 7.3 m-85 -140.14 161.37 37.79 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.526 1.141 . . . . 0.0 111.034 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 11' ' ' VAL . . . . . 0.631 HG22 ' O ' ' A' ' 29' ' ' GLY . 2.0 t -120.27 139.15 48.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.52 1.138 . . . . 0.0 109.306 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -74.57 121.34 21.42 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.511 1.132 . . . . 0.0 109.261 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.41 ' CG1' ' O ' ' A' ' 58' ' ' HIS . 3.1 pt -80.24 1.67 2.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.465 1.103 . . . . 0.0 109.296 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -171.99 155.73 3.87 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.45 1.094 . . . . 0.0 109.286 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 6.5 p-10 -75.3 135.23 40.92 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.515 1.135 . . . . 0.0 109.287 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 16' ' ' TYR . . . . . 0.44 ' OH ' ' NE2' ' A' ' 23' ' ' GLN . 61.2 t80 -126.6 163.57 23.15 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.513 1.133 . . . . 0.0 110.999 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 17' ' ' ALA . . . . . 0.407 ' N ' ' CG ' ' A' ' 16' ' ' TYR . . . -141.15 112.92 7.68 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.445 1.09 . . . . 0.0 109.334 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 0.547 ' HB1' ' HB2' ' A' ' 23' ' ' GLN . . . -53.05 133.22 38.71 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.548 1.155 . . . . 0.0 109.298 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 15.9 p -100.22 -16.79 17.63 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.559 1.162 . . . . 0.0 110.36 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -120.05 177.61 4.93 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.49 1.119 . . . . 0.0 109.269 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 9.0 pt-20 -93.55 17.19 12.04 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.435 1.084 . . . . 0.0 110.301 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 60.1 p -129.54 21.1 5.59 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.522 1.139 . . . . 0.0 110.416 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 23' ' ' GLN . . . . . 0.547 ' HB2' ' HB1' ' A' ' 18' ' ' ALA . 60.8 mt-30 -122.4 170.04 10.36 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.565 1.166 . . . . 0.0 110.334 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.583 HD13 ' CG ' ' A' ' 47' ' ' ARG . 43.5 mt -120.34 144.54 47.8 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.516 1.135 . . . . 0.0 109.294 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 6.6 m -112.19 136.63 51.36 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.529 1.143 . . . . 0.0 110.022 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 26' ' ' PHE . . . . . 0.53 ' CB ' HD11 ' A' ' 32' ' ' ILE . 1.9 p90 -148.12 176.89 9.84 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.499 1.125 . . . . 0.0 110.969 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.684 HD12 ' N ' ' A' ' 28' ' ' ARG . 0.1 OUTLIER -120.26 150.51 40.58 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.511 1.132 . . . . 0.0 109.308 -179.993 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 28' ' ' ARG . . . . . 0.684 ' N ' HD12 ' A' ' 27' ' ' LEU . 65.8 ttt180 -46.94 108.72 0.15 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.496 1.123 . . . . 0.0 110.275 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 29' ' ' GLY . . . . . 0.631 ' O ' HG22 ' A' ' 11' ' ' VAL . . . 121.38 -39.8 2.28 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.461 1.1 . . . . 0.0 110.991 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -39.69 132.54 1.64 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.481 0.753 . . . . 0.0 110.335 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.91 104.04 8.23 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.474 1.109 . . . . 0.0 109.304 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.53 HD11 ' CB ' ' A' ' 26' ' ' PHE . 4.6 mm -99.71 138.02 25.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.49 1.119 . . . . 0.0 109.293 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.502 HD22 ' HA ' ' A' ' 9' ' ' GLU . 0.2 OUTLIER -98.54 136.24 38.92 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.448 1.093 . . . . 0.0 109.3 -179.998 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.564 HD13 HD11 ' A' ' 54' ' ' ILE . 42.4 mm -109.05 79.03 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.489 1.118 . . . . 0.0 109.35 179.948 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 5.7 mp -46.63 -66.84 0.34 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.47 1.106 . . . . 0.0 109.276 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 4.7 mtp85 -137.87 179.0 6.69 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.458 1.099 . . . . 0.0 110.343 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 92.9 mt-30 -124.6 107.47 11.05 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.474 1.109 . . . . 0.0 110.324 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 6.4 m -41.96 -57.22 2.5 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.521 1.138 . . . . 0.0 110.379 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 39' ' ' THR . . . . . 0.525 ' O ' ' HB2' ' A' ' 40' ' ' ALA . 81.6 p -144.29 -52.48 0.31 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.537 1.148 . . . . 0.0 110.418 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 40' ' ' ALA . . . . . 0.525 ' HB2' ' O ' ' A' ' 39' ' ' THR . . . 174.28 -35.43 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.547 1.154 . . . . 0.0 109.333 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -87.52 -42.13 12.98 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.555 1.159 . . . . 0.0 109.275 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 93.6 m95 -105.66 125.91 51.53 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.519 1.137 . . . . 0.0 108.027 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 47.2 m0 -114.23 152.64 30.97 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.519 1.137 . . . . 0.0 108.008 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 71.2 t-105 -99.89 105.04 16.73 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.55 1.156 . . . . 0.0 108.006 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 45' ' ' GLY . . . . . 0.406 ' HA3' ' CD1' ' A' ' 54' ' ' ILE . . . -100.96 -177.5 29.27 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.513 1.133 . . . . 0.0 110.97 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 22.3 tt0 -150.81 120.44 6.98 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.498 0.763 . . . . 0.0 110.326 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 47' ' ' ARG . . . . . 0.583 ' CG ' HD13 ' A' ' 24' ' ' LEU . 0.2 OUTLIER -92.69 -174.14 3.55 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.51 1.131 . . . . 0.0 110.31 -179.996 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -60.14 103.45 0.23 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.553 1.158 . . . . 0.0 109.289 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 62.91 7.64 17.64 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.472 1.107 . . . . 0.0 110.974 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 50' ' ' CYS . . . . . 0.441 ' C ' ' HG ' ' A' ' 51' ' ' CYS . 1.0 OUTLIER -114.97 160.35 19.67 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 108.328 -0.99 . . . . 0.0 108.328 179.989 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 51' ' ' CYS . . . . . 0.441 ' HG ' ' C ' ' A' ' 50' ' ' CYS . 5.6 m -148.63 113.02 5.28 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.431 1.082 . . . . 0.0 108.313 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -148.23 -177.03 22.21 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.514 1.134 . . . . 0.0 110.955 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 26.6 m-85 -91.13 159.8 15.9 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.485 0.756 . . . . 0.0 111.051 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 54' ' ' ILE . . . . . 0.564 HD11 HD13 ' A' ' 34' ' ' ILE . 3.3 pt -146.61 147.44 30.37 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.456 1.097 . . . . 0.0 109.331 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 55' ' ' PRO . . . . . 0.411 ' HD3' ' HA ' ' A' ' 54' ' ' ILE . 18.3 Cg_endo -75.03 164.04 34.07 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.464 1.77 . . . . 0.0 110.977 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -110.62 84.51 1.94 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.528 1.143 . . . . 0.0 109.315 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 2.6 t30 174.91 -38.96 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.521 1.138 . . . . 0.0 109.293 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 58' ' ' HIS . . . . . 0.41 ' O ' ' CG1' ' A' ' 13' ' ' ILE . 1.8 m-70 -70.2 -32.4 70.29 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.502 1.127 . . . . 0.0 109.583 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 19.5 m . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.518 1.137 . . . . 0.0 109.287 -179.971 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 7' ' ' GLY . . . . . 0.466 ' HA3' ' CD1' ' A' ' 33' ' ' LEU . . . . . . . . 0 CA--C 1.53 1.022 0 N-CA-C 111.009 -0.836 . . . . 0.0 111.009 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -116.48 104.09 11.09 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.526 0.78 . . . . 0.0 110.35 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 9' ' ' GLU . . . . . 0.437 ' HG2' HD22 ' A' ' 33' ' ' LEU . 0.7 OUTLIER -74.68 123.2 24.46 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.495 1.122 . . . . 0.0 110.296 -179.953 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 10' ' ' PHE . . . . . 0.405 ' O ' ' N ' ' A' ' 32' ' ' ILE . 7.6 m-85 -132.86 158.12 43.32 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.478 1.111 . . . . 0.0 110.981 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 11' ' ' VAL . . . . . 0.618 HG22 ' O ' ' A' ' 29' ' ' GLY . 1.6 t -117.29 142.42 31.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.489 1.118 . . . . 0.0 109.318 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -72.28 118.7 15.49 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.518 1.136 . . . . 0.0 109.258 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.413 ' N ' ' O ' ' A' ' 58' ' ' HIS . 1.5 pt -61.9 -14.5 11.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.547 1.154 . . . . 0.0 109.314 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 14' ' ' ALA . . . . . 0.444 ' HA ' ' CG ' ' A' ' 28' ' ' ARG . . . -166.39 179.75 5.42 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.469 1.105 . . . . 0.0 109.295 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 1.3 p30 -87.0 129.49 34.86 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.456 1.098 . . . . 0.0 109.331 179.936 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 16' ' ' TYR . . . . . 0.501 ' CG ' ' N ' ' A' ' 17' ' ' ALA . 77.9 t80 -122.13 170.83 9.48 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.481 1.113 . . . . 0.0 111.004 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 17' ' ' ALA . . . . . 0.501 ' N ' ' CG ' ' A' ' 16' ' ' TYR . . . -139.31 146.63 40.55 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.438 1.086 . . . . 0.0 109.295 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -89.69 121.83 32.23 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.504 1.128 . . . . 0.0 109.31 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 15.2 p -115.75 7.3 14.61 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.487 1.117 . . . . 0.0 110.411 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -123.04 -178.65 4.02 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.548 1.155 . . . . 0.0 109.273 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -103.76 14.99 29.82 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.524 1.14 . . . . 0.0 110.271 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 22.6 p -147.41 38.54 0.95 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.526 1.141 . . . . 0.0 110.405 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 86.0 mt-30 -131.42 164.88 24.75 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.469 1.105 . . . . 0.0 110.326 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.674 HD13 ' CG ' ' A' ' 47' ' ' ARG . 49.7 mt -117.84 142.93 46.76 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.486 1.116 . . . . 0.0 109.326 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 12.2 p -109.54 128.97 55.58 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.52 1.137 . . . . 0.0 109.981 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 26' ' ' PHE . . . . . 0.464 ' CE1' ' HB3' ' A' ' 16' ' ' TYR . 1.8 p90 -138.69 178.77 6.91 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.532 1.145 . . . . 0.0 110.99 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.606 HD12 ' N ' ' A' ' 28' ' ' ARG . 0.1 OUTLIER -123.21 145.12 48.91 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.484 1.115 . . . . 0.0 109.3 -179.981 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 28' ' ' ARG . . . . . 0.606 ' N ' HD12 ' A' ' 27' ' ' LEU . 5.2 ttt85 -43.81 107.74 0.09 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.458 1.099 . . . . 0.0 110.324 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 29' ' ' GLY . . . . . 0.618 ' O ' HG22 ' A' ' 11' ' ' VAL . . . 123.25 -35.98 3.19 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.518 1.136 . . . . 0.0 110.982 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -43.97 132.87 5.24 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.48 0.753 . . . . 0.0 110.307 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.06 103.98 11.24 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.514 1.134 . . . . 0.0 109.315 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.405 ' N ' ' O ' ' A' ' 10' ' ' PHE . 4.3 mm -94.75 128.73 45.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.487 1.117 . . . . 0.0 109.271 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.466 ' CD1' ' HA3' ' A' ' 7' ' ' GLY . 0.2 OUTLIER -90.25 117.91 29.36 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.517 1.136 . . . . 0.0 109.303 179.954 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.581 HD12 HD11 ' A' ' 54' ' ' ILE . 13.3 mm -93.37 105.5 16.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.522 1.139 . . . . 0.0 109.293 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.431 ' N ' HD22 ' A' ' 35' ' ' LEU . 2.5 mm? -79.13 -65.22 1.03 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.459 1.1 . . . . 0.0 109.323 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 7.1 ttt180 -126.81 141.45 51.82 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.486 1.117 . . . . 0.0 110.311 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 37' ' ' GLN . . . . . 0.44 ' O ' ' N ' ' A' ' 39' ' ' THR . 80.4 mt-30 -79.67 -15.58 57.31 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.448 1.093 . . . . 0.0 110.329 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 38' ' ' THR . . . . . 0.82 HG22 HG23 ' A' ' 39' ' ' THR . 72.3 m 63.89 -76.78 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.523 1.139 . . . . 0.0 110.382 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 39' ' ' THR . . . . . 0.82 HG23 HG22 ' A' ' 38' ' ' THR . 72.6 p -123.77 -69.56 0.81 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.506 1.128 . . . . 0.0 110.393 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 40' ' ' ALA . . . . . 0.587 ' HB2' ' O ' ' A' ' 39' ' ' THR . . . 170.4 -33.53 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.461 1.101 . . . . 0.0 109.31 -179.935 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 1.5 t0 -88.54 -28.19 20.93 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.509 1.131 . . . . 0.0 109.256 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 42' ' ' TRP . . . . . 0.402 ' O ' ' O ' ' A' ' 37' ' ' GLN . 88.7 m95 -124.95 128.23 48.27 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.507 1.129 . . . . 0.0 107.981 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 43' ' ' TRP . . . . . 0.405 ' O ' ' N ' ' A' ' 54' ' ' ILE . 46.9 m0 -112.87 156.64 22.58 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 108.007 -1.109 . . . . 0.0 108.007 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 44' ' ' TRP . . . . . 0.433 ' CE3' ' CD2' ' A' ' 53' ' ' TYR . 63.7 t-105 -109.22 117.29 33.74 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.501 1.126 . . . . 0.0 107.983 -179.95 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -115.24 -178.25 18.66 Favored Glycine 0 CA--C 1.529 0.935 0 O-C-N 124.48 1.113 . . . . 0.0 111.034 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 46' ' ' GLU . . . . . 0.4 ' CB ' HD21 ' A' ' 35' ' ' LEU . 45.5 tt0 -141.16 120.65 13.21 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.46 0.741 . . . . 0.0 110.28 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 47' ' ' ARG . . . . . 0.674 ' CG ' HD13 ' A' ' 24' ' ' LEU . 0.4 OUTLIER -92.3 -173.69 3.49 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.464 1.102 . . . . 0.0 110.293 179.969 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -62.99 103.03 0.41 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.479 1.112 . . . . 0.0 109.281 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 62.28 8.47 18.61 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.483 1.114 . . . . 0.0 111.041 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 1.1 m -115.03 161.3 18.53 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 108.314 -0.995 . . . . 0.0 108.314 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 12.5 p -148.53 111.59 4.88 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.488 1.117 . . . . 0.0 108.32 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -148.59 -176.9 22.39 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.507 1.129 . . . . 0.0 110.992 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 53' ' ' TYR . . . . . 0.606 ' O ' HG23 ' A' ' 54' ' ' ILE . 4.1 m-85 -91.53 173.96 7.62 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.49 0.759 . . . . 0.0 111.018 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 54' ' ' ILE . . . . . 0.606 HG23 ' O ' ' A' ' 53' ' ' TYR . 7.4 pt -156.76 148.04 16.79 Favored Pre-proline 0 C--N 1.324 -0.515 0 O-C-N 124.463 1.102 . . . . 0.0 109.324 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 55' ' ' PRO . . . . . 0.412 ' HD3' ' HA ' ' A' ' 54' ' ' ILE . 18.1 Cg_endo -75.01 155.19 42.87 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.473 1.775 . . . . 0.0 110.97 -179.948 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -99.38 78.32 2.19 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.532 1.145 . . . . 0.0 109.326 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 44.2 t-20 177.38 -41.86 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.505 1.128 . . . . 0.0 109.28 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 58' ' ' HIS . . . . . 0.413 ' O ' ' N ' ' A' ' 13' ' ' ILE . 10.2 m-70 -64.23 -19.84 65.64 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.564 1.165 . . . . 0.0 109.614 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 10.0 m . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.517 1.136 . . . . 0.0 109.29 -179.98 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 7' ' ' GLY . . . . . 0.483 ' HA3' ' CD1' ' A' ' 33' ' ' LEU . . . . . . . . 0 CA--C 1.53 0.971 0 N-CA-C 111.022 -0.831 . . . . 0.0 111.022 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -123.43 107.18 11.31 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.485 0.756 . . . . 0.0 110.3 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 9' ' ' GLU . . . . . 0.455 ' HG3' ' CD2' ' A' ' 33' ' ' LEU . 0.3 OUTLIER -72.35 122.34 21.01 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.491 1.119 . . . . 0.0 110.279 179.973 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 5.6 m-85 -128.6 169.94 13.82 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.467 1.104 . . . . 0.0 110.999 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 11' ' ' VAL . . . . . 0.468 ' CG2' ' HE2' ' A' ' 31' ' ' LYS . 1.9 t -127.2 137.47 57.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.494 1.121 . . . . 0.0 109.295 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 12' ' ' ALA . . . . . 0.407 ' O ' ' HA ' ' A' ' 28' ' ' ARG . . . -71.09 118.34 13.74 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.5 1.125 . . . . 0.0 109.266 -179.946 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.422 ' CG1' ' O ' ' A' ' 58' ' ' HIS . 2.6 pt -71.27 -12.7 16.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.512 1.132 . . . . 0.0 109.313 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -169.74 145.59 3.08 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.516 1.135 . . . . 0.0 109.303 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 2.5 p-10 -55.63 141.27 38.32 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.542 1.151 . . . . 0.0 109.285 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 43.2 t80 -129.94 158.4 39.63 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.472 1.107 . . . . 0.0 111.016 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -132.19 114.5 14.55 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.505 1.128 . . . . 0.0 109.281 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 0.69 ' HB1' ' HB2' ' A' ' 23' ' ' GLN . . . -53.89 127.22 25.28 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.457 1.098 . . . . 0.0 109.32 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -83.14 -19.34 36.85 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.458 1.099 . . . . 0.0 110.368 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -126.95 178.86 5.71 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.462 1.101 . . . . 0.0 109.34 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 4.8 pt-20 -92.36 15.76 13.19 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.492 1.12 . . . . 0.0 110.302 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 70.5 p -121.81 10.36 10.24 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.506 1.129 . . . . 0.0 110.381 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 23' ' ' GLN . . . . . 0.69 ' HB2' ' HB1' ' A' ' 18' ' ' ALA . 70.6 mt-30 -111.85 160.92 16.91 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.516 1.135 . . . . 0.0 110.3 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.555 HD13 ' CG ' ' A' ' 47' ' ' ARG . 32.2 mt -104.75 142.41 34.76 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.526 1.141 . . . . 0.0 109.311 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 13.1 p -114.58 133.94 55.43 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.561 1.163 . . . . 0.0 110.021 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 26' ' ' PHE . . . . . 0.552 ' CB ' HD11 ' A' ' 32' ' ' ILE . 2.9 p90 -144.26 -178.92 6.2 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.526 1.141 . . . . 0.0 110.962 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.581 HD12 ' N ' ' A' ' 28' ' ' ARG . 0.1 OUTLIER -123.66 143.96 49.93 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.494 1.121 . . . . 0.0 109.296 -179.996 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 28' ' ' ARG . . . . . 0.581 ' N ' HD12 ' A' ' 27' ' ' LEU . 7.6 ttt180 -42.15 114.7 0.58 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.509 1.13 . . . . 0.0 110.266 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 116.54 -32.21 5.64 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.47 1.106 . . . . 0.0 111.009 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -48.97 133.15 18.41 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.48 0.753 . . . . 0.0 110.303 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.468 ' HE2' ' CG2' ' A' ' 11' ' ' VAL . 9.6 mmtp -76.91 98.61 4.95 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.505 1.128 . . . . 0.0 109.28 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.552 HD11 ' CB ' ' A' ' 26' ' ' PHE . 5.8 mm -91.89 130.82 40.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.464 1.103 . . . . 0.0 109.296 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.483 ' CD1' ' HA3' ' A' ' 7' ' ' GLY . 0.2 OUTLIER -92.63 127.34 38.09 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.517 1.136 . . . . 0.0 109.321 -179.998 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.6 ' CD1' HD11 ' A' ' 54' ' ' ILE . 41.9 mm -100.72 80.35 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.448 1.093 . . . . 0.0 109.306 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.46 ' CD2' ' HB2' ' A' ' 46' ' ' GLU . 5.1 mp -48.13 -67.27 0.29 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.523 1.14 . . . . 0.0 109.297 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 7.5 mmm180 -137.28 174.5 10.54 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.454 1.096 . . . . 0.0 110.325 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 37' ' ' GLN . . . . . 0.407 ' O ' ' C ' ' A' ' 38' ' ' THR . 15.6 mt-30 -128.44 65.79 1.4 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.562 1.164 . . . . 0.0 110.316 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 38' ' ' THR . . . . . 0.44 HG22 HG23 ' A' ' 39' ' ' THR . 19.6 m -38.44 -40.03 0.52 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.464 1.102 . . . . 0.0 110.436 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 39' ' ' THR . . . . . 0.44 HG23 HG22 ' A' ' 38' ' ' THR . 44.7 p -139.52 -178.41 5.38 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.5 1.125 . . . . 0.0 110.394 179.95 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -98.64 5.1 47.98 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.536 1.148 . . . . 0.0 109.271 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -118.27 -40.17 2.97 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.511 1.132 . . . . 0.0 109.298 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 42' ' ' TRP . . . . . 0.427 ' CH2' ' NE2' ' A' ' 23' ' ' GLN . 93.5 m95 -120.05 126.76 51.57 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.537 1.148 . . . . 0.0 107.962 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 45.9 m0 -110.74 153.79 24.8 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.55 1.156 . . . . 0.0 108.008 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 72.6 t-105 -100.06 105.7 17.38 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.502 1.126 . . . . 0.0 108.01 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -102.83 -165.38 26.04 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.46 1.1 . . . . 0.0 111.009 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 46' ' ' GLU . . . . . 0.46 ' HB2' ' CD2' ' A' ' 35' ' ' LEU . 19.9 tt0 -162.31 120.71 2.21 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.53 0.782 . . . . 0.0 110.258 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 47' ' ' ARG . . . . . 0.555 ' CG ' HD13 ' A' ' 24' ' ' LEU . 2.4 mmm180 -92.91 -173.86 3.42 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.484 1.115 . . . . 0.0 110.252 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -60.38 103.5 0.24 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.55 1.156 . . . . 0.0 109.284 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 62.9 7.83 18.7 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.538 1.148 . . . . 0.0 111.055 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 50' ' ' CYS . . . . . 0.439 ' C ' ' HG ' ' A' ' 51' ' ' CYS . 1.2 m -114.86 158.42 21.96 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 108.328 -0.99 . . . . 0.0 108.328 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 51' ' ' CYS . . . . . 0.439 ' HG ' ' C ' ' A' ' 50' ' ' CYS . 4.0 m -148.37 112.8 5.29 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.474 1.109 . . . . 0.0 108.354 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -148.42 -177.95 23.13 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.486 1.116 . . . . 0.0 110.964 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 2.5 m-85 -91.68 143.51 26.47 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.462 0.743 . . . . 0.0 111.016 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 54' ' ' ILE . . . . . 0.6 HD11 ' CD1' ' A' ' 34' ' ' ILE . 3.5 pt -126.17 150.56 70.07 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.475 1.11 . . . . 0.0 109.321 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 55' ' ' PRO . . . . . 0.404 ' HD3' ' HA ' ' A' ' 54' ' ' ILE . 18.1 Cg_endo -75.07 165.48 31.12 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.545 1.813 . . . . 0.0 110.943 -179.953 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -113.45 81.01 1.44 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.515 1.134 . . . . 0.0 109.331 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 57' ' ' ASN . . . . . 0.422 ' O ' HD11 ' A' ' 13' ' ' ILE . 23.9 t-20 176.66 -40.45 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.514 1.134 . . . . 0.0 109.326 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 58' ' ' HIS . . . . . 0.422 ' O ' ' CG1' ' A' ' 13' ' ' ILE . 44.0 m-70 -68.15 -23.19 64.85 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.506 1.129 . . . . 0.0 109.608 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 13.8 m . . . . . 0 C--N 1.325 -0.493 0 O-C-N 124.529 1.143 . . . . 0.0 109.286 -179.969 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 7' ' ' GLY . . . . . 0.469 ' HA3' ' CD1' ' A' ' 33' ' ' LEU . . . . . . . . 0 CA--C 1.53 0.981 0 N-CA-C 111.041 -0.824 . . . . 0.0 111.041 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -114.24 127.42 55.87 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.508 0.769 . . . . 0.0 110.288 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 9' ' ' GLU . . . . . 0.494 ' HG3' HD22 ' A' ' 33' ' ' LEU . 0.2 OUTLIER -89.47 107.66 19.2 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.521 1.138 . . . . 0.0 110.321 179.99 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 12.0 m-85 -106.88 160.44 15.51 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.508 1.13 . . . . 0.0 111.01 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 11' ' ' VAL . . . . . 0.603 HG13 ' HA2' ' A' ' 29' ' ' GLY . 2.3 t -115.09 134.6 57.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.52 1.138 . . . . 0.0 109.278 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -71.67 117.93 13.86 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.535 1.147 . . . . 0.0 109.249 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.421 ' N ' ' O ' ' A' ' 58' ' ' HIS . 2.4 pt -60.26 -16.25 11.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.494 1.121 . . . . 0.0 109.259 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -172.57 156.58 3.66 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.469 1.106 . . . . 0.0 109.295 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -61.27 147.9 42.92 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.505 1.128 . . . . 0.0 109.296 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 16' ' ' TYR . . . . . 0.571 ' CD1' ' NE2' ' A' ' 58' ' ' HIS . 27.5 t80 -133.38 153.25 51.76 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.465 1.103 . . . . 0.0 111.015 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -126.22 109.71 12.62 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.455 1.097 . . . . 0.0 109.309 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 0.494 ' HB1' ' HB2' ' A' ' 23' ' ' GLN . . . -61.16 124.44 20.55 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.472 1.107 . . . . 0.0 109.261 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 71.7 p -85.45 -22.8 28.12 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.49 1.119 . . . . 0.0 110.429 179.945 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -118.39 -178.04 3.43 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.555 1.159 . . . . 0.0 109.326 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -97.54 16.47 20.26 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.482 1.113 . . . . 0.0 110.297 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 81.0 p -116.82 -5.68 11.53 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 0.0 110.422 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 23' ' ' GLN . . . . . 0.494 ' HB2' ' HB1' ' A' ' 18' ' ' ALA . 78.0 mt-30 -102.72 154.16 19.44 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.466 1.104 . . . . 0.0 110.31 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.649 HD13 ' CG ' ' A' ' 47' ' ' ARG . 18.2 mt -104.16 137.15 42.51 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.5 1.125 . . . . 0.0 109.292 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 13.1 p -105.12 137.44 42.88 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 0.0 109.98 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 26' ' ' PHE . . . . . 0.48 ' CB ' HD11 ' A' ' 32' ' ' ILE . 1.4 p90 -147.54 174.24 11.92 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.527 1.142 . . . . 0.0 110.997 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.677 HD12 ' N ' ' A' ' 28' ' ' ARG . 0.1 OUTLIER -114.44 144.16 43.77 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.503 1.127 . . . . 0.0 109.292 -179.986 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 28' ' ' ARG . . . . . 0.677 ' N ' HD12 ' A' ' 27' ' ' LEU . 6.9 ttp180 -42.32 119.58 1.42 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.452 1.095 . . . . 0.0 110.311 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 29' ' ' GLY . . . . . 0.603 ' HA2' HG13 ' A' ' 11' ' ' VAL . . . 107.88 -33.64 6.16 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.521 1.138 . . . . 0.0 111.033 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 4.9 mt-10 -42.55 131.36 3.87 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.491 0.759 . . . . 0.0 110.284 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.46 ' HE2' ' CG2' ' A' ' 11' ' ' VAL . 0.0 OUTLIER -78.54 104.29 9.05 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.541 1.151 . . . . 0.0 109.267 -179.988 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.48 HD11 ' CB ' ' A' ' 26' ' ' PHE . 5.0 mm -95.46 134.57 32.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.527 1.142 . . . . 0.0 109.297 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.494 HD22 ' HG3' ' A' ' 9' ' ' GLU . 0.1 OUTLIER -92.43 130.63 38.05 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.484 1.115 . . . . 0.0 109.323 179.963 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.611 ' CD1' HD11 ' A' ' 54' ' ' ILE . 18.2 mm -107.42 96.59 4.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.56 1.163 . . . . 0.0 109.273 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.805 HD21 ' HB3' ' A' ' 46' ' ' GLU . 0.9 OUTLIER -69.31 -65.32 0.73 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.444 1.09 . . . . 0.0 109.299 179.998 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -133.22 -177.54 4.57 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.522 1.139 . . . . 0.0 110.292 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 37' ' ' GLN . . . . . 0.401 ' O ' ' C ' ' A' ' 38' ' ' THR . 78.4 mt-30 -131.02 105.49 7.77 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.473 1.108 . . . . 0.0 110.306 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 38' ' ' THR . . . . . 0.401 ' C ' ' O ' ' A' ' 37' ' ' GLN . 18.9 m -38.59 -66.26 0.29 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.533 1.145 . . . . 0.0 110.43 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 39' ' ' THR . . . . . 0.515 ' O ' ' HB2' ' A' ' 40' ' ' ALA . 60.6 p -134.05 -51.82 0.84 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.507 1.129 . . . . 0.0 110.442 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 40' ' ' ALA . . . . . 0.515 ' HB2' ' O ' ' A' ' 39' ' ' THR . . . 174.69 -35.56 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.454 1.096 . . . . 0.0 109.33 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -90.44 -33.99 15.78 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.543 1.152 . . . . 0.0 109.296 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 97.3 m95 -108.51 123.55 49.07 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 107.949 -1.13 . . . . 0.0 107.949 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 46.4 m0 -114.13 150.86 33.48 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.496 1.122 . . . . 0.0 108.012 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 73.0 t-105 -100.2 105.83 17.46 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.47 1.106 . . . . 0.0 108.041 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 45' ' ' GLY . . . . . 0.485 ' C ' ' CD2' ' A' ' 35' ' ' LEU . . . -102.44 -165.14 26.41 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.479 1.112 . . . . 0.0 110.943 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 46' ' ' GLU . . . . . 0.805 ' HB3' HD21 ' A' ' 35' ' ' LEU . 4.4 tt0 -156.95 120.64 4.22 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.472 0.748 . . . . 0.0 110.258 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 47' ' ' ARG . . . . . 0.649 ' CG ' HD13 ' A' ' 24' ' ' LEU . 0.9 OUTLIER -90.89 -173.11 3.58 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.514 1.133 . . . . 0.0 110.288 179.976 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -60.83 102.3 0.19 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.538 1.149 . . . . 0.0 109.327 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 61.94 9.74 22.46 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.512 1.133 . . . . 0.0 110.956 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 1.3 m -115.02 164.5 14.07 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 108.314 -0.995 . . . . 0.0 108.314 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 7.5 m -148.91 112.28 4.98 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.531 1.145 . . . . 0.0 108.304 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -148.52 -176.84 22.28 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.472 1.107 . . . . 0.0 110.976 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 53' ' ' TYR . . . . . 0.628 ' O ' HG23 ' A' ' 54' ' ' ILE . 30.3 m-85 -87.44 169.68 12.02 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.506 0.768 . . . . 0.0 111.005 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 54' ' ' ILE . . . . . 0.628 HG23 ' O ' ' A' ' 53' ' ' TYR . 3.6 pt -158.11 147.39 14.84 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.487 1.117 . . . . 0.0 109.314 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 55' ' ' PRO . . . . . 0.565 ' HG2' ' CD2' ' A' ' 58' ' ' HIS . 18.3 Cg_endo -75.01 162.09 37.66 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.491 1.784 . . . . 0.0 111.009 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -101.47 23.24 11.37 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.498 1.124 . . . . 0.0 109.347 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 53.2 m-80 -122.48 -45.84 2.18 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.508 1.13 . . . . 0.0 109.319 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 58' ' ' HIS . . . . . 0.571 ' NE2' ' CD1' ' A' ' 16' ' ' TYR . 4.4 m-70 -55.25 -26.15 37.97 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.515 1.134 . . . . 0.0 109.567 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 13.8 m . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.511 1.132 . . . . 0.0 109.348 179.956 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 7' ' ' GLY . . . . . 0.476 ' HA3' ' CD1' ' A' ' 33' ' ' LEU . . . . . . . . 0 CA--C 1.53 0.972 0 N-CA-C 111.041 -0.823 . . . . 0.0 111.041 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -122.19 105.86 10.62 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.476 0.751 . . . . 0.0 110.314 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 9' ' ' GLU . . . . . 0.456 ' HG2' HD22 ' A' ' 33' ' ' LEU . 0.4 OUTLIER -69.05 122.57 18.98 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.471 1.107 . . . . 0.0 110.34 179.949 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 6.3 m-85 -132.51 165.37 24.49 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.471 1.107 . . . . 0.0 110.971 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 11' ' ' VAL . . . . . 0.696 HG13 ' HA2' ' A' ' 29' ' ' GLY . 2.3 t -121.32 137.25 55.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.508 1.13 . . . . 0.0 109.304 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -71.07 117.92 13.19 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.544 1.153 . . . . 0.0 109.302 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.431 ' N ' ' O ' ' A' ' 58' ' ' HIS . 2.5 pt -61.17 -21.1 23.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 0.0 109.289 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -165.96 150.66 8.3 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.526 1.142 . . . . 0.0 109.3 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -56.18 146.72 22.47 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.54 1.15 . . . . 0.0 109.288 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 27.1 t80 -133.86 155.76 49.28 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.518 1.136 . . . . 0.0 110.953 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -129.54 110.54 11.93 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.507 1.129 . . . . 0.0 109.288 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 0.45 ' HB1' ' HB2' ' A' ' 23' ' ' GLN . . . -52.97 120.26 5.63 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.537 1.148 . . . . 0.0 109.353 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -79.36 -22.41 44.45 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.468 1.105 . . . . 0.0 110.412 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 20' ' ' ASP . . . . . 0.429 ' H ' HE21 ' A' ' 23' ' ' GLN . 1.2 m-20 -122.22 -178.57 3.91 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.508 1.13 . . . . 0.0 109.32 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 2.1 pt-20 -97.54 18.0 16.42 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.537 1.148 . . . . 0.0 110.301 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 66.9 p -127.34 34.79 4.65 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.49 1.119 . . . . 0.0 110.387 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 23' ' ' GLN . . . . . 0.45 ' HB2' ' HB1' ' A' ' 18' ' ' ALA . 43.5 mt-30 -137.83 166.93 22.81 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.544 1.153 . . . . 0.0 110.233 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.634 HD13 ' CG ' ' A' ' 47' ' ' ARG . 14.0 mt -106.93 132.58 52.72 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.454 1.096 . . . . 0.0 109.303 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 12.5 p -104.7 129.1 52.94 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.531 1.144 . . . . 0.0 109.998 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 26' ' ' PHE . . . . . 0.67 ' CB ' HD11 ' A' ' 32' ' ' ILE . 3.2 p90 -139.69 -179.0 5.67 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.5 1.125 . . . . 0.0 111.033 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.684 HD12 ' N ' ' A' ' 28' ' ' ARG . 0.1 OUTLIER -125.21 144.26 50.54 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.495 1.122 . . . . 0.0 109.3 -179.989 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 28' ' ' ARG . . . . . 0.684 ' N ' HD12 ' A' ' 27' ' ' LEU . 3.5 ttp85 -38.76 118.4 0.75 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.504 1.127 . . . . 0.0 110.312 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 29' ' ' GLY . . . . . 0.696 ' HA2' HG13 ' A' ' 11' ' ' VAL . . . 107.7 -37.93 3.58 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.536 1.148 . . . . 0.0 110.953 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 4.6 mt-10 -38.67 129.64 1.45 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.494 0.761 . . . . 0.0 110.316 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.461 ' HE2' ' CG2' ' A' ' 11' ' ' VAL . 26.0 mmtt -75.98 102.62 5.69 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.52 1.137 . . . . 0.0 109.297 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.67 HD11 ' CB ' ' A' ' 26' ' ' PHE . 5.2 mm -94.98 127.16 47.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.557 1.161 . . . . 0.0 109.31 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.476 ' CD1' ' HA3' ' A' ' 7' ' ' GLY . 0.1 OUTLIER -88.59 117.87 27.85 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.467 1.105 . . . . 0.0 109.315 -179.99 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.654 ' CD1' HD11 ' A' ' 54' ' ' ILE . 43.0 mm -92.06 83.01 1.87 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.491 1.119 . . . . 0.0 109.309 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.46 ' CD2' ' HB2' ' A' ' 46' ' ' GLU . 5.5 mp -49.44 -68.61 0.16 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.546 1.154 . . . . 0.0 109.265 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 26.5 mtt180 -135.45 173.47 11.68 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.522 1.139 . . . . 0.0 110.314 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 37' ' ' GLN . . . . . 0.408 ' HG2' ' CE2' ' A' ' 43' ' ' TRP . 5.4 mp0 -131.36 68.42 1.49 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.522 1.139 . . . . 0.0 110.251 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 38' ' ' THR . . . . . 0.4 ' C ' ' O ' ' A' ' 37' ' ' GLN . 82.6 p -38.32 -44.5 0.9 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.5 1.125 . . . . 0.0 110.396 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 29.7 p -131.93 -177.69 4.55 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.533 1.146 . . . . 0.0 110.394 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -97.97 6.52 47.59 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.488 1.117 . . . . 0.0 109.267 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 7.5 m-20 -121.38 -42.06 2.47 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.451 1.094 . . . . 0.0 109.313 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 90.2 m95 -112.17 127.27 55.89 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 108.003 -1.11 . . . . 0.0 108.003 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 43' ' ' TRP . . . . . 0.408 ' CE2' ' HG2' ' A' ' 37' ' ' GLN . 45.0 m0 -113.98 151.86 31.74 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.532 1.145 . . . . 0.0 107.999 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 72.6 t-105 -99.91 104.79 16.45 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.499 1.124 . . . . 0.0 108.049 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -104.06 175.37 22.99 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.522 1.139 . . . . 0.0 110.955 -179.927 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 46' ' ' GLU . . . . . 0.46 ' HB2' ' CD2' ' A' ' 35' ' ' LEU . 21.5 tt0 -146.67 120.78 9.46 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.525 0.78 . . . . 0.0 110.332 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 47' ' ' ARG . . . . . 0.634 ' CG ' HD13 ' A' ' 24' ' ' LEU . 0.0 OUTLIER -94.59 -175.35 3.58 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.541 1.15 . . . . 0.0 110.302 -179.996 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -57.96 103.25 0.13 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.458 1.099 . . . . 0.0 109.29 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 62.56 8.73 21.59 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.529 1.143 . . . . 0.0 111.005 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 50' ' ' CYS . . . . . 0.482 ' C ' ' HG ' ' A' ' 51' ' ' CYS . 1.2 m -114.71 155.0 27.46 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 108.293 -1.003 . . . . 0.0 108.293 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 51' ' ' CYS . . . . . 0.482 ' HG ' ' C ' ' A' ' 50' ' ' CYS . 3.7 m -148.24 111.95 5.07 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.499 1.124 . . . . 0.0 108.27 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -148.76 -176.91 22.53 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.488 1.117 . . . . 0.0 111.029 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 1.2 m-85 -94.15 143.99 25.89 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.539 0.787 . . . . 0.0 110.99 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 54' ' ' ILE . . . . . 0.654 HD11 ' CD1' ' A' ' 34' ' ' ILE . 4.7 pt -128.76 149.99 73.67 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.465 1.103 . . . . 0.0 109.29 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 55' ' ' PRO . . . . . 0.402 ' HD3' ' HA ' ' A' ' 54' ' ' ILE . 18.2 Cg_endo -75.01 166.64 28.78 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.5 1.79 . . . . 0.0 111.008 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -109.75 81.9 1.51 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.504 1.128 . . . . 0.0 109.328 180.0 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 27.6 t30 175.42 -41.48 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.453 1.096 . . . . 0.0 109.29 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 58' ' ' HIS . . . . . 0.431 ' O ' ' N ' ' A' ' 13' ' ' ILE . 12.5 m-70 -65.01 -22.68 67.03 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.527 1.142 . . . . 0.0 109.577 -179.922 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 14.5 m . . . . . 0 C--N 1.325 -0.464 0 O-C-N 124.541 1.151 . . . . 0.0 109.317 179.977 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 7' ' ' GLY . . . . . 0.465 ' HA3' ' CD1' ' A' ' 33' ' ' LEU . . . . . . . . 0 CA--C 1.53 0.995 0 N-CA-C 110.973 -0.851 . . . . 0.0 110.973 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 23.3 mt-10 -114.02 127.65 56.04 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.482 0.754 . . . . 0.0 110.28 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 9' ' ' GLU . . . . . 0.464 ' HG3' HD22 ' A' ' 33' ' ' LEU . 0.4 OUTLIER -87.66 109.35 19.61 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.477 1.111 . . . . 0.0 110.34 179.972 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 13.8 m-85 -110.7 161.18 16.01 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.506 1.129 . . . . 0.0 110.971 -179.95 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 11' ' ' VAL . . . . . 0.538 HG13 ' HA2' ' A' ' 29' ' ' GLY . 2.3 t -119.49 136.49 56.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.471 1.107 . . . . 0.0 109.275 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -72.82 117.87 15.07 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.464 1.103 . . . . 0.0 109.29 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.44 ' N ' ' O ' ' A' ' 58' ' ' HIS . 3.1 pt -61.17 -15.71 12.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.523 1.139 . . . . 0.0 109.276 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -170.13 152.18 4.16 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.514 1.134 . . . . 0.0 109.288 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -55.8 148.25 17.15 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.512 1.133 . . . . 0.0 109.273 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 16' ' ' TYR . . . . . 0.448 ' HB3' ' CE1' ' A' ' 26' ' ' PHE . 26.7 t80 -130.17 161.62 30.71 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.493 1.121 . . . . 0.0 111.07 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 17' ' ' ALA . . . . . 0.404 ' N ' ' CG ' ' A' ' 16' ' ' TYR . . . -135.76 107.65 7.1 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.532 1.145 . . . . 0.0 109.294 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 0.472 ' HB1' ' HB2' ' A' ' 23' ' ' GLN . . . -52.93 119.04 4.18 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.532 1.145 . . . . 0.0 109.304 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -78.01 -26.47 48.52 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.509 1.131 . . . . 0.0 110.407 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 1.3 t0 -118.32 -175.82 2.94 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.574 1.172 . . . . 0.0 109.302 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -100.22 17.97 19.95 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.527 1.142 . . . . 0.0 110.342 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 75.6 p -123.14 7.47 9.17 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.485 1.115 . . . . 0.0 110.389 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 23' ' ' GLN . . . . . 0.472 ' HB2' ' HB1' ' A' ' 18' ' ' ALA . 64.8 mt-30 -108.26 166.83 10.46 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.476 1.11 . . . . 0.0 110.289 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.699 HD13 ' HG2' ' A' ' 47' ' ' ARG . 14.5 mt -111.74 126.94 55.59 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.531 1.144 . . . . 0.0 109.322 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 56.5 p -97.72 137.78 36.09 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.515 1.134 . . . . 0.0 110.023 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 26' ' ' PHE . . . . . 0.45 ' CB ' HD11 ' A' ' 32' ' ' ILE . 1.5 p90 -147.5 173.19 12.9 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.548 1.155 . . . . 0.0 111.032 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.595 HD12 ' N ' ' A' ' 28' ' ' ARG . 0.1 OUTLIER -116.75 143.3 45.83 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.5 1.125 . . . . 0.0 109.25 -179.95 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 28' ' ' ARG . . . . . 0.595 ' N ' HD12 ' A' ' 27' ' ' LEU . 4.1 ttp180 -40.1 120.12 1.13 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.464 1.103 . . . . 0.0 110.313 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 29' ' ' GLY . . . . . 0.538 ' HA2' HG13 ' A' ' 11' ' ' VAL . . . 107.51 -31.65 7.87 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.465 1.103 . . . . 0.0 110.999 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 4.4 mt-10 -43.94 128.24 5.57 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.516 0.774 . . . . 0.0 110.283 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 10.2 mmtp -76.6 99.11 4.89 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.539 1.149 . . . . 0.0 109.352 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.45 HD11 ' CB ' ' A' ' 26' ' ' PHE . 5.4 mm -90.65 146.22 6.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.461 1.101 . . . . 0.0 109.33 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.465 ' CD1' ' HA3' ' A' ' 7' ' ' GLY . 0.1 OUTLIER -108.36 127.07 53.56 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.473 1.108 . . . . 0.0 109.35 179.944 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.538 ' CD1' ' CD1' ' A' ' 54' ' ' ILE . 22.3 mm -103.31 104.67 16.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.517 1.136 . . . . 0.0 109.297 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.432 HD21 ' CB ' ' A' ' 46' ' ' GLU . 2.7 mm? -76.6 -66.63 0.79 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.547 1.154 . . . . 0.0 109.336 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 3.7 mtt-85 -127.24 166.38 17.87 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.515 1.134 . . . . 0.0 110.293 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 37' ' ' GLN . . . . . 0.438 ' O ' ' N ' ' A' ' 39' ' ' THR . 56.2 mt-30 -102.36 -31.65 10.39 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.457 1.098 . . . . 0.0 110.321 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 26.5 m 66.31 -70.52 0.1 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.508 1.13 . . . . 0.0 110.427 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 39' ' ' THR . . . . . 0.48 ' O ' ' HB2' ' A' ' 40' ' ' ALA . 2.4 p -115.56 -80.58 0.6 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.449 1.093 . . . . 0.0 110.365 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 40' ' ' ALA . . . . . 0.48 ' HB2' ' O ' ' A' ' 39' ' ' THR . . . 176.55 -45.57 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.505 1.128 . . . . 0.0 109.291 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -80.89 -32.27 34.91 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.516 1.135 . . . . 0.0 109.305 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 42' ' ' TRP . . . . . 0.407 ' O ' ' O ' ' A' ' 37' ' ' GLN . 88.2 m95 -112.68 123.36 50.12 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.479 1.112 . . . . 0.0 108.019 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 43' ' ' TRP . . . . . 0.428 ' NE1' ' O ' ' A' ' 40' ' ' ALA . 47.4 m0 -113.05 161.71 16.75 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.503 1.127 . . . . 0.0 108.024 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 67.0 t-105 -111.67 114.52 27.59 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 107.955 -1.128 . . . . 0.0 107.955 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -111.06 -169.81 19.12 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.515 1.134 . . . . 0.0 111.027 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 46' ' ' GLU . . . . . 0.432 ' CB ' HD21 ' A' ' 35' ' ' LEU . 43.2 tt0 -150.25 120.76 7.42 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.502 0.766 . . . . 0.0 110.351 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 47' ' ' ARG . . . . . 0.699 ' HG2' HD13 ' A' ' 24' ' ' LEU . 0.0 OUTLIER -92.36 -172.89 3.24 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.496 1.123 . . . . 0.0 110.326 179.998 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -63.15 102.79 0.41 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.451 1.094 . . . . 0.0 109.337 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 62.54 8.4 19.79 Favored Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.516 1.135 . . . . 0.0 111.03 -179.932 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 1.3 m -115.06 161.78 17.89 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 108.307 -0.998 . . . . 0.0 108.307 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 11.8 p -148.69 112.22 5.03 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.435 1.084 . . . . 0.0 108.288 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -148.47 -176.89 22.28 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.496 1.122 . . . . 0.0 111.039 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 14.5 m-85 -91.14 160.51 15.53 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.518 0.775 . . . . 0.0 110.999 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 54' ' ' ILE . . . . . 0.538 ' CD1' ' CD1' ' A' ' 34' ' ' ILE . 4.8 pt -143.55 146.63 36.24 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 0.0 109.302 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 55' ' ' PRO . . . . . 0.411 ' HD3' ' HA ' ' A' ' 54' ' ' ILE . 18.2 Cg_endo -74.98 164.26 33.72 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.481 1.78 . . . . 0.0 111.011 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -110.59 82.47 1.6 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.514 1.134 . . . . 0.0 109.29 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 47.5 t30 177.14 -39.31 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.491 1.119 . . . . 0.0 109.323 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 58' ' ' HIS . . . . . 0.44 ' O ' ' N ' ' A' ' 13' ' ' ILE . 9.9 m-70 -67.69 -26.06 65.99 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.504 1.127 . . . . 0.0 109.584 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 11.2 m . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.504 1.128 . . . . 0.0 109.307 179.981 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 7' ' ' GLY . . . . . 0.475 ' HA3' ' CD1' ' A' ' 33' ' ' LEU . . . . . . . . 0 CA--C 1.53 0.97 0 N-CA-C 111.019 -0.832 . . . . 0.0 111.019 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 -122.85 117.43 25.61 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.515 0.773 . . . . 0.0 110.328 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 9' ' ' GLU . . . . . 0.464 ' HG3' ' CD2' ' A' ' 33' ' ' LEU . 0.1 OUTLIER -76.84 108.19 9.69 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.513 1.133 . . . . 0.0 110.297 -179.997 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 10.3 m-85 -112.1 162.06 15.83 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.532 1.145 . . . . 0.0 111.033 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 11' ' ' VAL . . . . . 0.488 HG13 ' HA2' ' A' ' 29' ' ' GLY . 2.4 t -122.53 138.14 53.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.523 1.139 . . . . 0.0 109.311 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -70.96 117.92 13.07 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.486 1.116 . . . . 0.0 109.33 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 3.0 pt -67.29 -14.14 17.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.472 1.108 . . . . 0.0 109.311 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -165.82 145.95 6.55 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.49 1.119 . . . . 0.0 109.314 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 15' ' ' ASP . . . . . 0.439 ' N ' ' OD1' ' A' ' 15' ' ' ASP . 0.1 OUTLIER -64.49 136.69 57.31 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.512 1.132 . . . . 0.0 109.296 -179.981 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 33.0 t80 -124.44 158.55 32.54 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.514 1.134 . . . . 0.0 111.023 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 17' ' ' ALA . . . . . 0.553 ' O ' HG23 ' A' ' 19' ' ' THR . . . -125.11 112.8 16.92 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.515 1.135 . . . . 0.0 109.273 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -54.72 114.56 1.75 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.493 1.121 . . . . 0.0 109.337 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 19' ' ' THR . . . . . 0.553 HG23 ' O ' ' A' ' 17' ' ' ALA . 16.3 p -102.48 5.19 39.38 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.128 . . . . 0.0 110.39 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 3.0 t0 -127.73 178.75 5.93 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.515 1.134 . . . . 0.0 109.265 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 21' ' ' GLU . . . . . 0.419 ' HG2' HG23 ' A' ' 22' ' ' THR . 0.3 OUTLIER -100.77 5.75 43.67 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.503 1.127 . . . . 0.0 110.317 179.954 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 22' ' ' THR . . . . . 0.419 HG23 ' HG2' ' A' ' 21' ' ' GLU . 52.8 p -133.83 49.07 2.3 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.458 1.099 . . . . 0.0 110.423 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 91.2 mt-30 -145.1 167.27 23.13 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.49 1.119 . . . . 0.0 110.273 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.814 HD13 ' CG ' ' A' ' 47' ' ' ARG . 16.1 mt -114.77 144.48 43.41 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.438 1.087 . . . . 0.0 109.268 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 12.9 p -112.27 129.13 56.38 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.489 1.118 . . . . 0.0 110.011 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 26' ' ' PHE . . . . . 0.473 ' CB ' HD11 ' A' ' 32' ' ' ILE . 2.5 p90 -139.47 179.7 6.39 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.486 1.116 . . . . 0.0 111.041 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.674 HD12 ' N ' ' A' ' 28' ' ' ARG . 0.1 OUTLIER -124.15 144.96 49.6 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.516 1.135 . . . . 0.0 109.312 179.981 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 28' ' ' ARG . . . . . 0.674 ' N ' HD12 ' A' ' 27' ' ' LEU . 3.5 ttt180 -43.65 113.17 0.47 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.514 1.134 . . . . 0.0 110.315 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 29' ' ' GLY . . . . . 0.488 ' HA2' HG13 ' A' ' 11' ' ' VAL . . . 115.39 -29.11 7.48 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.525 1.14 . . . . 0.0 110.965 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -49.51 130.52 20.37 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.512 0.772 . . . . 0.0 110.295 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 9.3 mmtt -76.48 101.88 5.79 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.503 1.127 . . . . 0.0 109.328 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.473 HD11 ' CB ' ' A' ' 26' ' ' PHE . 5.2 mm -93.25 140.36 16.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.504 1.128 . . . . 0.0 109.286 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.475 ' CD1' ' HA3' ' A' ' 7' ' ' GLY . 0.2 OUTLIER -105.33 121.54 44.09 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.464 1.102 . . . . 0.0 109.287 179.984 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.595 ' CD1' HD11 ' A' ' 54' ' ' ILE . 36.6 mm -98.24 105.5 17.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.421 1.076 . . . . 0.0 109.294 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.433 HD21 ' CB ' ' A' ' 46' ' ' GLU . 2.8 mm? -75.46 -68.42 0.56 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.486 1.116 . . . . 0.0 109.312 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 4.0 mmt180 -123.64 167.23 14.23 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.524 1.14 . . . . 0.0 110.303 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 37' ' ' GLN . . . . . 0.437 ' O ' ' N ' ' A' ' 39' ' ' THR . 87.8 mt-30 -99.96 -30.12 12.18 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.463 1.102 . . . . 0.0 110.312 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 4.9 m 67.64 -67.53 0.18 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.517 1.136 . . . . 0.0 110.364 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 39' ' ' THR . . . . . 0.453 ' O ' ' HB2' ' A' ' 40' ' ' ALA . 27.5 p -124.8 -79.62 0.61 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.538 1.149 . . . . 0.0 110.387 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 40' ' ' ALA . . . . . 0.453 ' HB2' ' O ' ' A' ' 39' ' ' THR . . . 178.18 -37.16 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.431 1.082 . . . . 0.0 109.342 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 41' ' ' ASP . . . . . 0.434 ' O ' ' N ' ' A' ' 56' ' ' ALA . 9.3 m-20 -89.05 -37.39 15.17 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.531 1.145 . . . . 0.0 109.301 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 94.8 m95 -108.28 123.12 48.31 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.527 1.142 . . . . 0.0 107.998 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 44.5 m0 -112.93 161.93 16.43 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 107.988 -1.116 . . . . 0.0 107.988 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 44' ' ' TRP . . . . . 0.428 ' CZ3' ' CD2' ' A' ' 53' ' ' TYR . 68.2 t-105 -111.94 115.7 29.4 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.47 1.106 . . . . 0.0 108.025 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -112.47 -172.21 18.71 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.494 1.121 . . . . 0.0 110.954 -179.928 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 46' ' ' GLU . . . . . 0.433 ' CB ' HD21 ' A' ' 35' ' ' LEU . 46.2 tt0 -148.35 120.6 8.37 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.488 0.758 . . . . 0.0 110.331 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 47' ' ' ARG . . . . . 0.814 ' CG ' HD13 ' A' ' 24' ' ' LEU . 4.3 mmm180 -92.59 -174.11 3.56 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.437 1.086 . . . . 0.0 110.343 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -62.07 103.04 0.33 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.513 1.133 . . . . 0.0 109.315 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 62.59 8.36 19.86 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.537 1.148 . . . . 0.0 110.988 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 1.2 m -114.85 162.18 17.24 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 108.306 -0.998 . . . . 0.0 108.306 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 12.8 p -148.51 111.8 4.95 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.534 1.146 . . . . 0.0 108.315 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -148.59 -176.86 22.35 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.499 1.125 . . . . 0.0 110.987 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 53' ' ' TYR . . . . . 0.621 ' O ' HG23 ' A' ' 54' ' ' ILE . 26.8 m-85 -90.93 174.07 7.63 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.506 0.768 . . . . 0.0 111.008 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 54' ' ' ILE . . . . . 0.621 HG23 ' O ' ' A' ' 53' ' ' TYR . 3.7 pt -158.14 146.18 13.91 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.475 1.109 . . . . 0.0 109.321 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 55' ' ' PRO . . . . . 0.411 ' HD3' ' HA ' ' A' ' 54' ' ' ILE . 18.0 Cg_endo -75.05 159.71 40.86 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.507 1.793 . . . . 0.0 110.995 -179.955 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 56' ' ' ALA . . . . . 0.434 ' N ' ' O ' ' A' ' 41' ' ' ASP . . . -103.44 81.47 1.93 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.512 1.133 . . . . 0.0 109.261 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 40.4 t-20 178.01 -45.3 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.537 1.148 . . . . 0.0 109.273 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 1.8 m-70 -61.66 -27.46 68.69 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.526 1.141 . . . . 0.0 109.625 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 18.1 m . . . . . 0 C--N 1.324 -0.515 0 O-C-N 124.516 1.135 . . . . 0.0 109.32 179.961 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 7' ' ' GLY . . . . . 0.471 ' HA3' ' CD1' ' A' ' 33' ' ' LEU . . . . . . . . 0 CA--C 1.53 1.002 0 N-CA-C 110.991 -0.844 . . . . 0.0 110.991 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 7.0 mt-10 -124.45 117.21 23.9 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.527 0.781 . . . . 0.0 110.327 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 9' ' ' GLU . . . . . 0.457 ' HG2' HD22 ' A' ' 33' ' ' LEU . 0.5 OUTLIER -80.67 115.02 19.96 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.517 1.136 . . . . 0.0 110.284 -179.979 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 6.3 m-85 -119.04 159.35 24.07 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.451 1.094 . . . . 0.0 110.978 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 11' ' ' VAL . . . . . 0.601 HG13 ' HA2' ' A' ' 29' ' ' GLY . 2.2 t -116.63 133.85 61.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.452 1.095 . . . . 0.0 109.296 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -70.97 117.73 12.84 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.459 1.1 . . . . 0.0 109.292 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 2.8 pt -61.38 -16.27 14.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.494 1.121 . . . . 0.0 109.289 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -167.83 158.51 10.87 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.533 1.146 . . . . 0.0 109.321 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 7.7 p-10 -63.39 140.2 58.85 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.544 1.153 . . . . 0.0 109.3 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 16' ' ' TYR . . . . . 0.538 ' HB3' ' CE1' ' A' ' 26' ' ' PHE . 26.4 t80 -130.73 149.78 52.22 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.513 1.133 . . . . 0.0 110.994 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -127.5 116.9 21.11 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.505 1.128 . . . . 0.0 109.256 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 0.592 ' HB1' ' HB2' ' A' ' 23' ' ' GLN . . . -53.53 124.48 15.06 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.476 1.11 . . . . 0.0 109.3 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -82.92 -25.95 31.92 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.53 1.144 . . . . 0.0 110.382 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -122.16 -179.47 4.18 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.511 1.132 . . . . 0.0 109.293 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -90.84 16.86 8.57 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.485 1.116 . . . . 0.0 110.31 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 79.6 p -125.86 28.64 6.1 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.516 1.135 . . . . 0.0 110.394 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 23' ' ' GLN . . . . . 0.592 ' HB2' ' HB1' ' A' ' 18' ' ' ALA . 63.7 mt-30 -135.51 164.05 28.68 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.47 1.106 . . . . 0.0 110.303 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.708 HD13 ' CG ' ' A' ' 47' ' ' ARG . 16.8 mt -110.58 139.01 46.24 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.467 1.105 . . . . 0.0 109.287 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -108.77 128.81 55.21 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.485 1.116 . . . . 0.0 109.993 -179.953 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 26' ' ' PHE . . . . . 0.538 ' CE1' ' HB3' ' A' ' 16' ' ' TYR . 2.6 p90 -137.66 179.91 6.14 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.465 1.103 . . . . 0.0 111.018 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.606 HD12 ' N ' ' A' ' 28' ' ' ARG . 0.1 OUTLIER -120.98 142.78 49.46 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.549 1.156 . . . . 0.0 109.264 -179.995 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 28' ' ' ARG . . . . . 0.606 ' N ' HD12 ' A' ' 27' ' ' LEU . 6.3 ttp180 -39.03 118.73 0.81 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.487 1.117 . . . . 0.0 110.297 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 29' ' ' GLY . . . . . 0.601 ' HA2' HG13 ' A' ' 11' ' ' VAL . . . 108.34 -34.97 5.26 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.542 1.151 . . . . 0.0 110.984 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 -38.85 134.45 0.98 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.524 0.779 . . . . 0.0 110.277 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 7.1 mmtt -79.92 102.42 9.17 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.507 1.13 . . . . 0.0 109.279 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.514 HD11 ' CB ' ' A' ' 26' ' ' PHE . 4.4 mm -94.09 135.82 27.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.461 1.1 . . . . 0.0 109.294 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.471 ' CD1' ' HA3' ' A' ' 7' ' ' GLY . 0.1 OUTLIER -102.39 117.84 35.6 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.499 1.124 . . . . 0.0 109.263 -179.958 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.489 ' CD1' HD11 ' A' ' 54' ' ' ILE . 15.7 mm -92.31 108.07 19.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.465 1.103 . . . . 0.0 109.289 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.437 ' N ' HD22 ' A' ' 35' ' ' LEU . 2.6 mm? -78.69 -68.05 0.69 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.546 1.154 . . . . 0.0 109.297 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 28.0 mtt-85 -122.41 173.17 7.82 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.531 1.145 . . . . 0.0 110.286 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 37' ' ' GLN . . . . . 0.426 ' O ' ' N ' ' A' ' 39' ' ' THR . 55.8 mt-30 -104.75 -30.25 10.03 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.488 1.118 . . . . 0.0 110.312 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 7.8 m 67.41 -68.32 0.16 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.475 1.11 . . . . 0.0 110.37 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 39' ' ' THR . . . . . 0.54 ' O ' ' HB2' ' A' ' 40' ' ' ALA . 33.5 p -126.12 -74.87 0.59 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.508 1.13 . . . . 0.0 110.428 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 40' ' ' ALA . . . . . 0.54 ' HB2' ' O ' ' A' ' 39' ' ' THR . . . 173.09 -34.78 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.434 1.084 . . . . 0.0 109.295 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -90.82 -34.52 15.26 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.518 1.136 . . . . 0.0 109.257 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 42' ' ' TRP . . . . . 0.4 ' O ' ' O ' ' A' ' 37' ' ' GLN . 95.6 m95 -111.94 122.95 49.17 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 107.98 -1.118 . . . . 0.0 107.98 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 44.8 m0 -113.71 157.16 22.55 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.548 1.155 . . . . 0.0 107.957 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 44' ' ' TRP . . . . . 0.406 ' CE3' ' CD2' ' A' ' 53' ' ' TYR . 68.2 t-105 -106.36 116.57 32.15 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 107.99 -1.115 . . . . 0.0 107.99 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -113.85 -176.49 19.2 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.468 1.105 . . . . 0.0 110.986 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 46' ' ' GLU . . . . . 0.417 ' CB ' HD21 ' A' ' 35' ' ' LEU . 31.1 tt0 -147.97 120.88 8.74 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.52 0.776 . . . . 0.0 110.306 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 47' ' ' ARG . . . . . 0.708 ' CG ' HD13 ' A' ' 24' ' ' LEU . 0.0 OUTLIER -95.72 -175.18 3.36 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.555 1.159 . . . . 0.0 110.291 -179.973 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -58.26 103.09 0.13 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.466 1.103 . . . . 0.0 109.297 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 62.13 8.83 19.2 Favored Glycine 0 CA--C 1.529 0.945 0 O-C-N 124.486 1.117 . . . . 0.0 110.995 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 1.2 m -114.76 157.25 23.47 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 108.284 -1.006 . . . . 0.0 108.284 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 17.6 p -148.25 110.63 4.66 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.445 1.091 . . . . 0.0 108.268 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -148.95 -176.9 22.66 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.501 1.125 . . . . 0.0 111.032 179.93 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 53' ' ' TYR . . . . . 0.55 ' O ' HG23 ' A' ' 54' ' ' ILE . 23.2 m-85 -90.67 171.8 9.11 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.51 0.77 . . . . 0.0 110.92 -179.944 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 54' ' ' ILE . . . . . 0.55 HG23 ' O ' ' A' ' 53' ' ' TYR . 3.1 pt -156.28 149.4 18.52 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.507 1.13 . . . . 0.0 109.348 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 168.91 23.78 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.479 1.779 . . . . 0.0 111.002 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -112.77 85.49 2.18 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.506 1.129 . . . . 0.0 109.305 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER 167.41 -35.93 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.524 1.14 . . . . 0.0 109.333 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 5.0 m80 -70.63 -16.67 62.85 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.523 1.139 . . . . 0.0 109.566 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 9.3 m . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.526 1.141 . . . . 0.0 109.247 -179.958 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.039 0 N-CA-C 110.991 -0.844 . . . . 0.0 110.991 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 15.6 p -140.31 94.62 2.76 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.509 0.77 . . . . 0.0 109.987 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 26.9 p -100.87 142.52 32.22 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.462 1.101 . . . . 0.0 109.976 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -80.11 150.39 32.09 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.451 1.095 . . . . 0.0 110.985 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.0 m -129.11 85.86 2.37 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.505 0.767 . . . . 0.0 109.989 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 67.5 m 64.18 108.99 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.525 1.141 . . . . 0.0 110.004 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.467 ' HA3' ' CD1' ' A' ' 33' ' ' LEU . . . -162.35 170.54 37.98 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.479 1.112 . . . . 0.0 110.998 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -117.59 116.93 28.07 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.477 0.751 . . . . 0.0 110.354 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -83.54 124.14 30.45 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.492 1.12 . . . . 0.0 110.283 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 8.9 m-85 -133.9 167.86 19.82 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.446 1.091 . . . . 0.0 110.984 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.627 HG13 ' HA2' ' A' ' 29' ' ' GLY . 2.5 t -123.51 138.13 54.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.465 1.103 . . . . 0.0 109.317 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 12' ' ' ALA . . . . . 0.443 ' HB2' ' CD1' ' A' ' 26' ' ' PHE . . . -72.44 118.89 15.9 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.452 1.095 . . . . 0.0 109.346 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 3.5 pt -70.92 -7.31 8.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.489 1.118 . . . . 0.0 109.275 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -173.69 141.22 0.83 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.491 1.119 . . . . 0.0 109.279 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 8.9 p-10 -57.34 135.22 56.5 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.444 1.09 . . . . 0.0 109.287 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 44.9 t80 -125.65 161.03 28.17 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.494 1.121 . . . . 0.0 110.954 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -134.44 111.99 10.58 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.463 1.102 . . . . 0.0 109.283 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.718 ' HB1' ' HB2' ' A' ' 23' ' ' GLN . . . -52.95 127.01 22.29 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.519 1.137 . . . . 0.0 109.309 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -86.58 -22.1 26.46 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.466 1.104 . . . . 0.0 110.419 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 20' ' ' ASP . . . . . 0.545 ' H ' HE21 ' A' ' 23' ' ' GLN . 0.3 OUTLIER -119.54 175.58 5.78 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.486 1.116 . . . . 0.0 109.311 179.989 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -90.76 18.01 7.0 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.476 1.11 . . . . 0.0 110.268 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 73.2 p -125.01 14.34 8.47 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.474 1.109 . . . . 0.0 110.399 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' GLN . . . . . 0.718 ' HB2' ' HB1' ' A' ' 18' ' ' ALA . 37.3 mt-30 -119.29 160.48 22.14 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.446 1.091 . . . . 0.0 110.352 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.546 HD22 ' HG3' ' A' ' 47' ' ' ARG . 30.8 mt -106.98 139.42 41.41 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.517 1.136 . . . . 0.0 109.321 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 25' ' ' SER . . . . . 0.404 ' O ' ' NH1' ' A' ' 47' ' ' ARG . 5.3 m -110.27 129.56 55.71 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.492 1.12 . . . . 0.0 109.995 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 26' ' ' PHE . . . . . 0.657 ' CB ' HD11 ' A' ' 32' ' ' ILE . 3.1 p90 -141.0 175.57 9.51 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.524 1.14 . . . . 0.0 111.018 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.576 HD12 ' N ' ' A' ' 28' ' ' ARG . 0.1 OUTLIER -117.66 143.1 46.49 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.507 1.13 . . . . 0.0 109.346 179.938 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 28' ' ' ARG . . . . . 0.576 ' N ' HD12 ' A' ' 27' ' ' LEU . 8.1 ttt180 -41.15 122.32 1.78 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.475 1.11 . . . . 0.0 110.312 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 29' ' ' GLY . . . . . 0.627 ' HA2' HG13 ' A' ' 11' ' ' VAL . . . 105.79 -31.5 8.36 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.45 1.094 . . . . 0.0 110.989 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 7.7 mt-10 -47.52 133.32 13.16 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.506 0.768 . . . . 0.0 110.307 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 14.7 mmtp -77.16 99.11 5.29 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.492 1.12 . . . . 0.0 109.287 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.657 HD11 ' CB ' ' A' ' 26' ' ' PHE . 5.1 mm -92.42 133.84 32.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.483 1.114 . . . . 0.0 109.329 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.467 ' CD1' ' HA3' ' A' ' 7' ' ' GLY . 0.1 OUTLIER -95.68 117.9 31.36 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.459 1.099 . . . . 0.0 109.331 179.984 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.62 ' CD1' HD11 ' A' ' 54' ' ' ILE . 37.0 mm -92.19 77.58 1.26 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.499 1.124 . . . . 0.0 109.347 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.636 HD22 ' HB2' ' A' ' 46' ' ' GLU . 7.8 mp -46.02 -67.54 0.27 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.471 1.107 . . . . 0.0 109.333 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -129.52 156.37 44.27 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.529 1.143 . . . . 0.0 110.313 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 37' ' ' GLN . . . . . 0.42 ' O ' ' N ' ' A' ' 39' ' ' THR . 68.5 mt-30 -95.19 -52.91 3.99 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.439 1.087 . . . . 0.0 110.309 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 53.5 m 67.53 -67.67 0.17 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.443 1.089 . . . . 0.0 110.404 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' THR . . . . . 0.42 ' N ' ' O ' ' A' ' 37' ' ' GLN . 1.1 p -120.23 162.38 19.48 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.531 1.144 . . . . 0.0 110.401 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -88.45 7.39 33.03 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.424 1.078 . . . . 0.0 109.331 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -121.95 -42.28 2.4 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.492 1.12 . . . . 0.0 109.312 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 78.0 m95 -115.95 127.95 55.37 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.542 1.151 . . . . 0.0 107.999 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 45.3 m0 -113.71 157.6 21.99 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.534 1.146 . . . . 0.0 107.993 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' TRP . . . . . 0.485 ' CE3' ' CE2' ' A' ' 53' ' ' TYR . 41.5 t-105 -104.79 108.75 20.4 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.52 1.138 . . . . 0.0 108.021 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -105.02 174.72 21.68 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.512 1.133 . . . . 0.0 110.979 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.636 ' HB2' HD22 ' A' ' 35' ' ' LEU . 30.6 tt0 -142.6 120.56 12.05 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.488 0.757 . . . . 0.0 110.266 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 47' ' ' ARG . . . . . 0.546 ' HG3' HD22 ' A' ' 24' ' ' LEU . 5.8 mmm-85 -91.62 -173.06 3.43 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.479 1.112 . . . . 0.0 110.282 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -63.7 103.4 0.55 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 0.0 109.337 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 62.49 9.37 24.27 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.498 1.124 . . . . 0.0 111.002 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 1.2 m -114.45 162.97 15.98 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 108.296 -1.001 . . . . 0.0 108.296 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 11.8 p -148.55 112.87 5.27 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.522 1.139 . . . . 0.0 108.291 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -148.08 -178.7 23.47 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.477 1.11 . . . . 0.0 110.972 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' TYR . . . . . 0.485 ' CE2' ' CE3' ' A' ' 44' ' ' TRP . 4.2 m-85 -98.15 149.22 22.76 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.502 0.766 . . . . 0.0 111.012 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 54' ' ' ILE . . . . . 0.62 HD11 ' CD1' ' A' ' 34' ' ' ILE . 4.7 pt -131.6 150.05 75.22 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.529 1.143 . . . . 0.0 109.27 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.09 169.21 23.08 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.475 1.776 . . . . 0.0 111.012 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -113.33 85.63 2.23 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.535 1.147 . . . . 0.0 109.257 -179.925 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER 172.57 -39.23 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.503 1.127 . . . . 0.0 109.321 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 7.0 m80 -69.86 -25.58 63.79 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.543 1.152 . . . . 0.0 109.6 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 15.8 m -113.05 149.77 15.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.458 1.099 . . . . 0.0 109.286 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 173.77 -155.59 22.25 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.469 1.106 . . . . 0.0 111.006 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 58.83 -179.56 0.08 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.514 0.773 . . . . 0.0 109.313 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 33.9 m80 -141.81 165.99 25.96 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.538 1.149 . . . . 0.0 109.561 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 40.1 t -97.18 147.65 23.87 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.501 1.125 . . . . 0.0 110.023 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 178.2 -145.52 6.99 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.528 1.142 . . . . 0.0 111.017 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 153.95 42.21 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.515 1.798 . . . . 0.0 111.033 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 83.7 p 50.71 87.28 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.512 1.132 . . . . 0.0 110.033 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 2.1 p -112.56 -0.41 15.2 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.484 1.115 . . . . 0.0 110.007 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.022 0 O-C-N 124.468 1.105 . . . . 0.0 110.969 -179.997 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.988 0 N-CA-C 111.013 -0.835 . . . . 0.0 111.013 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 9.7 m 60.13 153.55 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.475 0.75 . . . . 0.0 110.011 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 58.37 166.18 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.457 1.098 . . . . 0.0 110.002 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 122.52 -98.05 0.61 Allowed Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.44 1.088 . . . . 0.0 111.022 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 16.0 m -122.01 120.36 34.15 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.523 0.778 . . . . 0.0 110.039 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -144.42 -50.81 0.29 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.459 1.099 . . . . 0.0 110.025 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.471 ' HA3' ' CD1' ' A' ' 33' ' ' LEU . . . 77.57 167.44 29.08 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.49 1.119 . . . . 0.0 110.983 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -114.52 111.94 22.17 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.52 0.776 . . . . 0.0 110.299 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 9' ' ' GLU . . . . . 0.472 ' HG2' HD22 ' A' ' 33' ' ' LEU . 0.0 OUTLIER -76.75 128.09 33.99 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.472 1.107 . . . . 0.0 110.328 -179.998 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 7.0 m-85 -137.64 164.18 29.43 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.529 1.143 . . . . 0.0 110.938 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.432 HG22 ' O ' ' A' ' 29' ' ' GLY . 2.2 t -123.08 139.97 48.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.487 1.117 . . . . 0.0 109.291 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -71.68 118.37 14.44 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.448 1.093 . . . . 0.0 109.31 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 2.9 pt -67.25 -19.96 26.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.482 1.114 . . . . 0.0 109.231 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -162.12 146.02 12.16 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.479 1.112 . . . . 0.0 109.328 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 2.5 p-10 -55.88 140.54 42.31 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.51 1.131 . . . . 0.0 109.283 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 33.9 t80 -132.13 159.67 38.26 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.537 1.148 . . . . 0.0 110.979 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -136.77 115.34 11.96 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.505 1.128 . . . . 0.0 109.296 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -52.94 130.52 33.78 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.52 1.138 . . . . 0.0 109.311 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -93.17 -17.89 23.2 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.511 1.132 . . . . 0.0 110.376 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 90.2 m-20 -127.85 174.95 8.71 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.492 1.12 . . . . 0.0 109.33 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 30.9 tt0 -85.75 12.0 9.88 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.434 1.084 . . . . 0.0 110.252 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 68.3 p -124.17 46.44 2.27 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.525 1.141 . . . . 0.0 110.397 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 51.7 mt-30 -155.56 157.44 36.84 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.44 1.087 . . . . 0.0 110.301 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.546 HD13 ' CG ' ' A' ' 47' ' ' ARG . 81.6 mt -103.9 146.11 29.14 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.546 1.154 . . . . 0.0 109.323 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 12.5 p -114.52 131.37 56.67 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 0.0 109.966 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' PHE . . . . . 0.555 ' CB ' HD11 ' A' ' 32' ' ' ILE . 2.2 p90 -141.29 -179.0 5.87 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.479 1.112 . . . . 0.0 111.021 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.593 HD12 ' N ' ' A' ' 28' ' ' ARG . 0.1 OUTLIER -126.64 144.94 50.75 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.482 1.114 . . . . 0.0 109.306 179.949 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 28' ' ' ARG . . . . . 0.593 ' N ' HD12 ' A' ' 27' ' ' LEU . 8.6 ttt180 -39.39 123.57 1.46 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.481 1.113 . . . . 0.0 110.263 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 29' ' ' GLY . . . . . 0.432 ' O ' HG22 ' A' ' 11' ' ' VAL . . . 104.31 -32.66 7.29 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.487 1.117 . . . . 0.0 111.035 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 4.9 mt-10 -46.17 131.55 10.16 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.509 0.77 . . . . 0.0 110.304 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 11.4 mmtp -76.78 102.96 6.48 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.501 1.126 . . . . 0.0 109.308 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.555 HD11 ' CB ' ' A' ' 26' ' ' PHE . 5.0 mm -97.9 137.46 25.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.472 1.107 . . . . 0.0 109.357 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.472 HD22 ' HG2' ' A' ' 9' ' ' GLU . 0.2 OUTLIER -99.89 133.64 43.96 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.457 1.098 . . . . 0.0 109.232 -179.934 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.593 ' CD1' HD11 ' A' ' 54' ' ' ILE . 14.3 mm -106.28 79.75 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.487 1.117 . . . . 0.0 109.314 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.461 ' CD2' ' HB2' ' A' ' 46' ' ' GLU . 5.8 mp -48.13 -67.13 0.3 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.466 1.104 . . . . 0.0 109.274 -179.946 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -135.47 172.22 13.33 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.493 1.12 . . . . 0.0 110.274 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 37' ' ' GLN . . . . . 0.438 ' O ' ' N ' ' A' ' 39' ' ' THR . 73.4 mt-30 -99.76 -38.18 8.79 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.531 1.144 . . . . 0.0 110.296 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 38' ' ' THR . . . . . 0.597 HG21 ' OH ' ' A' ' 53' ' ' TYR . 2.7 m 68.97 -62.17 0.4 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.508 1.13 . . . . 0.0 110.403 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 39' ' ' THR . . . . . 0.438 ' N ' ' O ' ' A' ' 37' ' ' GLN . 1.3 p -122.58 -93.19 0.52 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.514 1.134 . . . . 0.0 110.361 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.436 ' O ' ' NE1' ' A' ' 43' ' ' TRP . . . -169.99 -55.57 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.482 1.113 . . . . 0.0 109.315 -179.939 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -73.75 -34.54 64.78 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.531 1.144 . . . . 0.0 109.31 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 93.6 m95 -108.65 127.01 53.59 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.551 1.157 . . . . 0.0 107.996 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' TRP . . . . . 0.436 ' NE1' ' O ' ' A' ' 40' ' ' ALA . 45.3 m0 -114.82 152.66 31.8 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 107.97 -1.122 . . . . 0.0 107.97 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 44' ' ' TRP . . . . . 0.517 ' CE3' ' CE2' ' A' ' 53' ' ' TYR . 64.6 t-105 -100.23 104.91 16.44 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.504 1.128 . . . . 0.0 107.988 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -100.75 -172.67 29.2 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.526 1.141 . . . . 0.0 110.987 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.461 ' HB2' ' CD2' ' A' ' 35' ' ' LEU . 19.1 tt0 -153.81 120.56 5.6 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.516 0.774 . . . . 0.0 110.312 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 47' ' ' ARG . . . . . 0.546 ' CG ' HD13 ' A' ' 24' ' ' LEU . 2.5 mmm180 -92.24 -175.93 4.2 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.461 1.1 . . . . 0.0 110.307 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -59.42 103.59 0.2 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.481 1.113 . . . . 0.0 109.262 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 62.91 8.31 21.47 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.494 1.122 . . . . 0.0 110.947 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 50' ' ' CYS . . . . . 0.405 ' C ' ' HG ' ' A' ' 51' ' ' CYS . 0.8 OUTLIER -114.79 161.53 18.07 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 108.259 -1.015 . . . . 0.0 108.259 -179.982 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 51' ' ' CYS . . . . . 0.405 ' HG ' ' C ' ' A' ' 50' ' ' CYS . 11.5 m -148.74 112.81 5.19 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.526 1.141 . . . . 0.0 108.259 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -148.33 -176.92 22.2 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.483 1.115 . . . . 0.0 111.017 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 53' ' ' TYR . . . . . 0.597 ' OH ' HG21 ' A' ' 38' ' ' THR . 2.4 m-85 -95.19 150.97 19.63 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.573 0.808 . . . . 0.0 110.944 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 54' ' ' ILE . . . . . 0.593 HD11 ' CD1' ' A' ' 34' ' ' ILE . 3.8 pt -133.34 151.94 78.45 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.496 1.122 . . . . 0.0 109.307 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 170.63 19.98 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.514 1.797 . . . . 0.0 110.971 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -114.56 86.69 2.48 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.513 1.133 . . . . 0.0 109.291 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER 164.72 -41.18 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.438 1.086 . . . . 0.0 109.316 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 24.0 m-70 -65.02 -27.57 68.9 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.471 1.107 . . . . 0.0 109.629 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 16.1 m -102.67 151.43 6.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.512 1.132 . . . . 0.0 109.297 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 165.21 136.99 2.1 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.476 1.11 . . . . 0.0 110.958 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -42.77 144.39 0.58 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.502 0.766 . . . . 0.0 109.348 179.941 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 6.3 t-80 -162.32 139.69 8.3 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.517 1.136 . . . . 0.0 109.601 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 4.6 t -76.22 137.48 40.02 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.515 1.134 . . . . 0.0 109.944 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -161.73 161.28 33.12 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.481 1.113 . . . . 0.0 111.018 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 -58.08 0.05 OUTLIER 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.488 1.783 . . . . 0.0 111.001 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 2.0 m 64.5 155.63 0.07 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.464 1.102 . . . . 0.0 110.0 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 64.54 137.36 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.51 1.131 . . . . 0.0 110.035 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.028 0 O-C-N 124.488 1.117 . . . . 0.0 110.996 179.972 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.054 0 N-CA-C 110.951 -0.86 . . . . 0.0 110.951 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 53.3 p -91.26 151.64 20.83 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.531 0.783 . . . . 0.0 109.978 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 9.4 t -98.0 121.51 40.0 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.514 1.134 . . . . 0.0 109.994 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 110.1 110.69 3.3 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.496 1.123 . . . . 0.0 110.97 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.9 t -112.92 145.5 40.64 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.538 0.787 . . . . 0.0 110.008 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.3 t -158.36 102.74 1.76 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.475 1.109 . . . . 0.0 110.001 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.462 ' HA3' ' CD1' ' A' ' 33' ' ' LEU . . . 169.42 165.49 26.88 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.453 1.095 . . . . 0.0 110.996 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -120.25 122.23 40.44 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.486 0.757 . . . . 0.0 110.282 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 9' ' ' GLU . . . . . 0.446 ' HG2' HD22 ' A' ' 33' ' ' LEU . 2.0 mt-10 -83.35 122.6 28.69 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.534 1.146 . . . . 0.0 110.275 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 9.5 m-85 -131.93 167.5 19.51 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.507 1.129 . . . . 0.0 111.021 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.625 HG13 ' HA2' ' A' ' 29' ' ' GLY . 2.4 t -124.35 138.27 54.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.525 1.141 . . . . 0.0 109.302 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -72.53 118.82 15.92 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.438 1.086 . . . . 0.0 109.335 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 2.7 pt -70.19 -14.91 18.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.442 1.089 . . . . 0.0 109.304 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -165.29 139.37 4.8 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.488 1.118 . . . . 0.0 109.319 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 3.2 p-10 -55.4 140.71 39.0 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.488 1.118 . . . . 0.0 109.314 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 22.6 t80 -132.41 157.62 44.07 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.471 1.107 . . . . 0.0 111.013 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -132.15 114.03 14.01 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.542 1.151 . . . . 0.0 109.285 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.568 ' HB1' ' HB2' ' A' ' 23' ' ' GLN . . . -53.03 119.77 5.08 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.557 1.161 . . . . 0.0 109.33 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 43.6 p -80.7 -15.71 55.81 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.491 1.119 . . . . 0.0 110.393 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -128.58 178.68 6.14 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.522 1.139 . . . . 0.0 109.288 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 19.8 pt-20 -94.22 17.39 12.79 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.547 1.154 . . . . 0.0 110.314 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 60.5 p -125.08 27.1 6.78 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.124 . . . . 0.0 110.368 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' GLN . . . . . 0.568 ' HB2' ' HB1' ' A' ' 18' ' ' ALA . 85.7 mt-30 -134.46 169.2 17.61 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.522 1.139 . . . . 0.0 110.275 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.776 HD13 ' HG2' ' A' ' 47' ' ' ARG . 25.0 mt -112.87 139.33 48.6 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.487 1.117 . . . . 0.0 109.329 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 13.5 m -110.28 130.33 55.57 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.469 1.105 . . . . 0.0 109.995 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' PHE . . . . . 0.655 ' CB ' HD11 ' A' ' 32' ' ' ILE . 3.3 p90 -141.13 173.65 11.28 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.522 1.139 . . . . 0.0 111.017 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.603 HD12 ' N ' ' A' ' 28' ' ' ARG . 0.1 OUTLIER -117.51 142.13 47.53 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.532 1.145 . . . . 0.0 109.273 -179.95 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 28' ' ' ARG . . . . . 0.603 ' N ' HD12 ' A' ' 27' ' ' LEU . 6.4 ttt-85 -38.88 123.15 1.25 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.505 1.128 . . . . 0.0 110.285 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 29' ' ' GLY . . . . . 0.625 ' HA2' HG13 ' A' ' 11' ' ' VAL . . . 103.72 -33.4 6.61 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.525 1.141 . . . . 0.0 111.0 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 5.3 mt-10 -43.88 132.48 5.24 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.445 0.732 . . . . 0.0 110.336 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 4.4 mptt -77.02 99.94 5.47 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.539 1.149 . . . . 0.0 109.289 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.655 HD11 ' CB ' ' A' ' 26' ' ' PHE . 5.7 mm -94.03 134.76 30.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.492 1.12 . . . . 0.0 109.345 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.462 ' CD1' ' HA3' ' A' ' 7' ' ' GLY . 0.1 OUTLIER -97.41 117.92 32.72 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.522 1.139 . . . . 0.0 109.277 -179.971 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.573 ' CD1' HD11 ' A' ' 54' ' ' ILE . 22.7 mm -91.9 78.49 1.39 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.454 1.096 . . . . 0.0 109.277 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.49 HD13 ' CB ' ' A' ' 46' ' ' GLU . 6.9 mp -45.71 -68.32 0.21 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.503 1.127 . . . . 0.0 109.31 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 5.0 mtt180 -130.04 158.77 38.69 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.47 1.106 . . . . 0.0 110.329 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' GLN . . . . . 0.44 ' O ' ' N ' ' A' ' 39' ' ' THR . 4.2 mt-30 -92.6 -50.47 5.58 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.518 1.136 . . . . 0.0 110.268 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 28.6 m 67.78 -66.72 0.2 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.517 1.135 . . . . 0.0 110.364 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' THR . . . . . 0.44 ' N ' ' O ' ' A' ' 37' ' ' GLN . 2.2 p -127.24 162.73 25.51 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.454 1.096 . . . . 0.0 110.385 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -88.32 10.44 19.77 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.496 1.123 . . . . 0.0 109.309 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -121.53 -42.07 2.46 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.531 1.145 . . . . 0.0 109.325 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 87.0 m95 -121.25 132.55 54.88 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.514 1.134 . . . . 0.0 107.98 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' TRP . . . . . 0.411 ' CD1' ' HB2' ' A' ' 56' ' ' ALA . 45.6 m0 -113.95 160.55 18.7 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 107.977 -1.12 . . . . 0.0 107.977 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 41.9 t-105 -107.7 109.21 20.75 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.509 1.13 . . . . 0.0 108.037 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -107.54 169.71 14.9 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.472 1.108 . . . . 0.0 111.03 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.49 ' CB ' HD13 ' A' ' 35' ' ' LEU . 27.3 tt0 -135.85 120.65 18.49 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.475 0.75 . . . . 0.0 110.322 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 47' ' ' ARG . . . . . 0.776 ' HG2' HD13 ' A' ' 24' ' ' LEU . 7.3 mmm180 -90.99 -172.92 3.5 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.529 1.143 . . . . 0.0 110.292 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -63.39 103.52 0.52 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.479 1.112 . . . . 0.0 109.316 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 62.41 9.16 22.71 Favored Glycine 0 CA--C 1.529 0.949 0 O-C-N 124.502 1.126 . . . . 0.0 111.042 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -114.54 163.03 15.95 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 108.281 -1.007 . . . . 0.0 108.281 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 15.8 p -148.51 111.6 4.89 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.507 1.129 . . . . 0.0 108.255 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -148.57 -176.97 22.43 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.467 1.104 . . . . 0.0 111.038 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 5.2 m-85 -95.11 162.83 13.55 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.503 0.767 . . . . 0.0 110.984 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 54' ' ' ILE . . . . . 0.573 HD11 ' CD1' ' A' ' 34' ' ' ILE . 4.4 pt -146.76 150.34 39.24 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.522 1.139 . . . . 0.0 109.32 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 55' ' ' PRO . . . . . 0.402 ' HD3' ' HA ' ' A' ' 54' ' ' ILE . 18.1 Cg_endo -75.02 155.69 42.83 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.523 1.802 . . . . 0.0 110.979 -179.95 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 56' ' ' ALA . . . . . 0.411 ' HB2' ' CD1' ' A' ' 43' ' ' TRP . . . -100.77 80.14 2.14 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.499 1.124 . . . . 0.0 109.272 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 50.6 t-20 177.38 -41.53 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.57 1.169 . . . . 0.0 109.289 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 4.7 m-70 -65.43 -27.38 68.48 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.554 1.159 . . . . 0.0 109.604 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 17.9 m -109.7 156.78 10.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.472 1.108 . . . . 0.0 109.3 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 144.27 175.41 17.38 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.527 1.142 . . . . 0.0 110.979 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -104.19 -52.94 2.83 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.524 0.779 . . . . 0.0 109.349 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 88.1 m-70 -68.68 160.64 29.86 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.429 1.081 . . . . 0.0 109.59 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 48.5 t -169.2 -57.05 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.447 1.092 . . . . 0.0 110.031 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 126.68 175.12 14.02 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.516 1.135 . . . . 0.0 110.991 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 165.42 31.33 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.514 1.797 . . . . 0.0 110.998 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 70.1 m -92.46 125.67 37.21 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.473 1.108 . . . . 0.0 109.962 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -131.7 -58.54 0.97 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.12 . . . . 0.0 109.982 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.939 0 O-C-N 124.493 1.121 . . . . 0.0 111.033 179.992 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.974 0 N-CA-C 111.028 -0.829 . . . . 0.0 111.028 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 38.5 t -173.54 94.82 0.1 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.456 0.739 . . . . 0.0 110.006 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 77.2 p -94.81 149.33 21.36 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 0.0 109.991 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 160.74 172.47 28.08 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.515 1.134 . . . . 0.0 111.033 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 65.73 158.43 0.11 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.545 0.791 . . . . 0.0 110.014 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 39.7 t -164.95 95.98 0.71 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.463 1.102 . . . . 0.0 110.008 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.473 ' HA3' ' CD1' ' A' ' 33' ' ' LEU . . . -109.94 162.0 12.8 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.515 1.134 . . . . 0.0 111.007 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -111.6 106.71 15.63 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.504 0.767 . . . . 0.0 110.264 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' GLU . . . . . 0.513 ' HG3' HD22 ' A' ' 33' ' ' LEU . 0.2 OUTLIER -74.51 130.47 39.66 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.489 1.118 . . . . 0.0 110.322 179.994 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 7.3 m-85 -138.85 166.47 24.36 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.456 1.098 . . . . 0.0 111.012 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.521 HG22 ' O ' ' A' ' 29' ' ' GLY . 2.2 t -124.07 140.64 46.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.493 1.121 . . . . 0.0 109.323 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 12' ' ' ALA . . . . . 0.4 ' O ' ' HA ' ' A' ' 28' ' ' ARG . . . -71.8 118.09 14.21 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.478 1.111 . . . . 0.0 109.317 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 2.3 pt -68.45 -13.72 17.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.482 1.114 . . . . 0.0 109.303 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -164.38 155.99 15.94 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.538 1.149 . . . . 0.0 109.332 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 1.6 p-10 -58.37 148.76 26.71 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.521 1.138 . . . . 0.0 109.333 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 48.8 t80 -133.9 158.35 43.67 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.53 1.144 . . . . 0.0 110.994 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -144.09 104.09 4.09 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.48 1.113 . . . . 0.0 109.356 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -53.88 131.98 40.98 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.535 1.147 . . . . 0.0 109.32 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -95.58 -8.31 35.37 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.455 1.097 . . . . 0.0 110.403 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 17.2 m-20 -133.72 173.06 11.93 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.514 1.134 . . . . 0.0 109.295 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 7.2 pt-20 -93.24 17.92 10.36 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.468 1.105 . . . . 0.0 110.327 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 80.5 p -121.43 13.72 11.05 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.516 1.135 . . . . 0.0 110.4 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 35.4 mt-30 -121.7 173.42 7.46 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.5 1.125 . . . . 0.0 110.264 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.566 HD13 ' CG ' ' A' ' 47' ' ' ARG . 17.2 mt -114.13 140.54 48.43 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.454 1.096 . . . . 0.0 109.272 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 16.3 p -109.83 130.69 55.49 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.488 1.117 . . . . 0.0 110.001 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' PHE . . . . . 0.57 ' CB ' HD11 ' A' ' 32' ' ' ILE . 2.6 p90 -142.92 178.5 7.63 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.504 1.127 . . . . 0.0 110.97 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.652 HD12 ' N ' ' A' ' 28' ' ' ARG . 0.1 OUTLIER -125.67 145.79 50.01 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.555 1.159 . . . . 0.0 109.295 179.997 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 28' ' ' ARG . . . . . 0.652 ' N ' HD12 ' A' ' 27' ' ' LEU . 12.0 ttt-85 -43.91 112.15 0.37 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.466 1.104 . . . . 0.0 110.319 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 29' ' ' GLY . . . . . 0.521 ' O ' HG22 ' A' ' 11' ' ' VAL . . . 117.97 -32.75 5.18 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.507 1.129 . . . . 0.0 111.005 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -49.46 136.19 16.74 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.497 0.763 . . . . 0.0 110.312 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -79.74 102.44 9.02 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.511 1.132 . . . . 0.0 109.328 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.57 HD11 ' CB ' ' A' ' 26' ' ' PHE . 4.5 mm -95.74 124.74 48.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.497 1.123 . . . . 0.0 109.3 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.513 HD22 ' HG3' ' A' ' 9' ' ' GLU . 0.1 OUTLIER -87.99 117.86 27.14 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.489 1.118 . . . . 0.0 109.287 -179.974 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.556 ' CD1' HD11 ' A' ' 54' ' ' ILE . 19.1 mm -92.51 78.91 1.37 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.5 1.125 . . . . 0.0 109.292 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.574 HD22 ' HB2' ' A' ' 46' ' ' GLU . 7.3 mp -46.39 -67.79 0.25 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.558 1.161 . . . . 0.0 109.249 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 2.1 mtt-85 -135.41 173.0 12.2 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.508 1.13 . . . . 0.0 110.307 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' GLN . . . . . 0.508 ' HG2' ' CG ' ' A' ' 43' ' ' TRP . 7.7 mt-30 -133.87 73.02 1.48 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.451 1.094 . . . . 0.0 110.307 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 81.9 m -38.33 -32.9 0.08 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.511 1.132 . . . . 0.0 110.409 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' THR . . . . . 0.402 ' N ' ' O ' ' A' ' 37' ' ' GLN . 2.2 p -147.12 178.68 8.19 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.513 1.133 . . . . 0.0 110.395 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -91.43 6.82 43.97 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.487 1.117 . . . . 0.0 109.281 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -121.16 -41.99 2.5 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.541 1.151 . . . . 0.0 109.3 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 82.1 m95 -113.12 126.15 55.14 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.476 1.11 . . . . 0.0 108.006 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' TRP . . . . . 0.508 ' CG ' ' HG2' ' A' ' 37' ' ' GLN . 47.5 m0 -113.75 153.52 28.88 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.546 1.154 . . . . 0.0 107.994 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 44.3 t-105 -101.86 105.03 15.8 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 107.988 -1.116 . . . . 0.0 107.988 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -100.62 175.56 26.76 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.518 1.137 . . . . 0.0 111.022 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.574 ' HB2' HD22 ' A' ' 35' ' ' LEU . 22.6 tt0 -144.64 120.64 10.7 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.543 0.79 . . . . 0.0 110.29 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 47' ' ' ARG . . . . . 0.566 ' CG ' HD13 ' A' ' 24' ' ' LEU . 1.3 mmm180 -90.97 -172.88 3.49 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.522 1.139 . . . . 0.0 110.356 179.95 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -63.44 103.82 0.56 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.468 1.105 . . . . 0.0 109.284 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 62.59 9.52 25.77 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.55 1.156 . . . . 0.0 111.038 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 1.3 m -114.26 163.35 15.38 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 108.29 -1.004 . . . . 0.0 108.29 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 15.8 p -148.5 112.57 5.19 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.487 1.117 . . . . 0.0 108.323 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -148.32 -177.08 22.32 Favored Glycine 0 CA--C 1.529 0.936 0 O-C-N 124.502 1.126 . . . . 0.0 111.014 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 2.3 m-85 -98.93 159.23 15.1 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.445 0.732 . . . . 0.0 111.022 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 54' ' ' ILE . . . . . 0.556 HD11 ' CD1' ' A' ' 34' ' ' ILE . 4.5 pt -143.74 150.71 51.23 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.529 1.143 . . . . 0.0 109.297 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 55' ' ' PRO . . . . . 0.402 ' HD3' ' HA ' ' A' ' 54' ' ' ILE . 18.2 Cg_endo -75.0 172.65 15.95 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.499 1.789 . . . . 0.0 111.022 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -117.91 87.93 2.81 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.572 1.17 . . . . 0.0 109.31 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 2.3 t30 169.6 -36.05 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.479 1.112 . . . . 0.0 109.285 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 2.9 m-70 -73.49 -24.41 60.18 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.477 1.11 . . . . 0.0 109.631 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 9.4 m -113.42 150.74 15.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.549 1.155 . . . . 0.0 109.334 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 157.32 135.5 1.93 Allowed Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.519 1.137 . . . . 0.0 110.968 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.29 117.88 5.73 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.504 0.767 . . . . 0.0 109.278 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 1.4 t60 -93.77 61.1 3.04 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.471 1.107 . . . . 0.0 109.591 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 22.6 t 45.1 79.63 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.502 1.126 . . . . 0.0 109.989 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 67.24 122.55 0.02 OUTLIER Glycine 0 CA--C 1.529 0.948 0 O-C-N 124.519 1.137 . . . . 0.0 111.01 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 172.02 17.17 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.52 1.8 . . . . 0.0 111.018 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -66.42 -59.4 3.71 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.482 1.113 . . . . 0.0 110.0 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 1.5 m -115.87 117.63 30.73 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.438 1.086 . . . . 0.0 110.046 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.006 0 O-C-N 124.456 1.098 . . . . 0.0 110.985 179.998 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.015 0 N-CA-C 111.012 -0.835 . . . . 0.0 111.012 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 39.0 m -80.68 169.0 18.2 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.494 0.761 . . . . 0.0 110.024 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 9.9 p -158.4 120.25 3.57 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.485 1.115 . . . . 0.0 110.042 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 104.24 97.22 2.44 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.457 1.098 . . . . 0.0 110.99 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 64.4 m -119.99 94.71 4.48 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.513 0.772 . . . . 0.0 110.019 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 39.3 m -143.26 -73.48 0.28 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.471 1.107 . . . . 0.0 110.05 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.472 ' HA3' ' CD1' ' A' ' 33' ' ' LEU . . . 88.79 175.29 46.97 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.486 1.116 . . . . 0.0 110.949 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -122.39 123.69 41.93 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.506 0.768 . . . . 0.0 110.261 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 9' ' ' GLU . . . . . 0.514 ' HG3' HD22 ' A' ' 33' ' ' LEU . 0.1 OUTLIER -84.23 98.02 9.73 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.523 1.139 . . . . 0.0 110.297 179.973 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 9.7 m-85 -99.02 158.24 15.79 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.478 1.111 . . . . 0.0 110.988 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.589 HG13 ' HA2' ' A' ' 29' ' ' GLY . 2.3 t -115.11 135.83 53.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.519 1.137 . . . . 0.0 109.275 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 12' ' ' ALA . . . . . 0.41 ' O ' ' HA ' ' A' ' 28' ' ' ARG . . . -71.63 118.43 14.45 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.481 1.113 . . . . 0.0 109.263 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.438 ' N ' ' O ' ' A' ' 58' ' ' HIS . 3.1 pt -70.97 -15.15 18.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.509 1.131 . . . . 0.0 109.309 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -159.51 156.39 28.11 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.436 1.085 . . . . 0.0 109.323 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 2.8 p30 -71.83 141.76 49.63 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.515 1.134 . . . . 0.0 109.278 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 74.7 t80 -128.71 172.13 11.54 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.501 1.126 . . . . 0.0 110.948 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -140.43 144.15 35.98 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.5 1.125 . . . . 0.0 109.29 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -89.78 112.41 23.7 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.535 1.147 . . . . 0.0 109.334 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 14.9 p -112.64 5.95 18.04 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.512 1.132 . . . . 0.0 110.371 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -125.0 178.77 5.34 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.504 1.127 . . . . 0.0 109.287 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 10.7 tt0 -88.82 -17.11 30.4 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.536 1.147 . . . . 0.0 110.249 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 40.4 p -123.08 58.55 1.1 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.526 1.141 . . . . 0.0 110.407 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 82.5 mt-30 -144.62 156.01 43.91 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.537 1.148 . . . . 0.0 110.311 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.742 HD13 ' HG2' ' A' ' 47' ' ' ARG . 28.0 mt -117.62 143.72 45.87 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.559 1.162 . . . . 0.0 109.254 -179.95 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 13.1 p -112.59 132.03 55.33 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.463 1.102 . . . . 0.0 109.971 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' PHE . . . . . 0.508 ' CB ' HD11 ' A' ' 32' ' ' ILE . 3.5 p90 -144.16 176.8 9.05 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.504 1.128 . . . . 0.0 111.015 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.661 HD12 ' N ' ' A' ' 28' ' ' ARG . 0.1 OUTLIER -119.51 144.78 46.83 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.554 1.159 . . . . 0.0 109.308 179.965 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 28' ' ' ARG . . . . . 0.661 ' N ' HD12 ' A' ' 27' ' ' LEU . 5.7 ttt180 -43.23 110.83 0.21 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.519 1.137 . . . . 0.0 110.281 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 29' ' ' GLY . . . . . 0.589 ' HA2' HG13 ' A' ' 11' ' ' VAL . . . 119.66 -36.81 3.34 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.529 1.143 . . . . 0.0 110.993 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -42.24 132.33 3.4 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.556 0.798 . . . . 0.0 110.294 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 12.5 mmtp -77.1 100.85 5.86 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.493 1.121 . . . . 0.0 109.289 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.508 HD11 ' CB ' ' A' ' 26' ' ' PHE . 4.7 mm -94.18 133.93 33.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.481 1.113 . . . . 0.0 109.292 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.514 HD22 ' HG3' ' A' ' 9' ' ' GLU . 0.1 OUTLIER -96.45 125.27 40.83 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.484 1.115 . . . . 0.0 109.279 179.989 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.631 HD13 HD11 ' A' ' 54' ' ' ILE . 42.0 mm -101.94 92.53 2.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.501 1.126 . . . . 0.0 109.329 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.739 HD21 ' CB ' ' A' ' 46' ' ' GLU . 0.3 OUTLIER -65.3 -65.13 0.71 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.513 1.133 . . . . 0.0 109.282 -179.94 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 49.9 mtt85 -129.24 174.74 9.31 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.485 1.115 . . . . 0.0 110.275 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' GLN . . . . . 0.5 ' HG2' ' CG ' ' A' ' 43' ' ' TRP . 58.3 mt-30 -142.94 74.73 1.45 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.457 1.098 . . . . 0.0 110.309 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 38' ' ' THR . . . . . 0.4 ' C ' ' O ' ' A' ' 37' ' ' GLN . 54.2 m -38.45 -43.71 0.86 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.447 1.092 . . . . 0.0 110.418 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 5.7 p -134.61 173.86 11.2 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.485 1.116 . . . . 0.0 110.366 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -86.48 8.22 22.77 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.518 1.136 . . . . 0.0 109.295 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -122.24 -42.31 2.37 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.529 1.143 . . . . 0.0 109.294 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 95.3 m95 -110.14 124.92 52.41 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.525 1.141 . . . . 0.0 108.017 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' TRP . . . . . 0.5 ' CG ' ' HG2' ' A' ' 37' ' ' GLN . 46.0 m0 -114.63 158.72 21.35 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.491 1.119 . . . . 0.0 108.021 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 44' ' ' TRP . . . . . 0.412 ' CE3' ' CD2' ' A' ' 53' ' ' TYR . 68.9 t-105 -108.25 119.85 40.69 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.552 1.158 . . . . 0.0 108.009 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 45' ' ' GLY . . . . . 0.458 ' HA2' HD22 ' A' ' 35' ' ' LEU . . . -117.71 -173.92 16.48 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.462 1.102 . . . . 0.0 111.024 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.739 ' CB ' HD21 ' A' ' 35' ' ' LEU . 28.4 tt0 -146.58 120.66 9.44 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.5 0.765 . . . . 0.0 110.254 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 47' ' ' ARG . . . . . 0.742 ' HG2' HD13 ' A' ' 24' ' ' LEU . 0.0 OUTLIER -91.68 -173.82 3.66 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.462 1.101 . . . . 0.0 110.281 179.98 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -61.77 103.32 0.33 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.474 1.109 . . . . 0.0 109.277 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 62.39 8.28 18.35 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.529 1.143 . . . . 0.0 111.0 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 1.3 m -115.06 163.44 15.61 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 108.283 -1.006 . . . . 0.0 108.283 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 12.7 p -148.59 111.77 4.92 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.513 1.133 . . . . 0.0 108.283 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -148.59 -177.07 22.53 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.502 1.126 . . . . 0.0 111.018 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 53' ' ' TYR . . . . . 0.579 ' O ' HG23 ' A' ' 54' ' ' ILE . 2.9 m-85 -91.17 173.97 7.65 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.488 0.758 . . . . 0.0 110.983 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 54' ' ' ILE . . . . . 0.631 HD11 HD13 ' A' ' 34' ' ' ILE . 3.1 pt -157.27 152.47 21.68 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.454 1.096 . . . . 0.0 109.285 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 158.21 42.31 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.524 1.802 . . . . 0.0 110.993 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -106.27 83.63 1.91 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.454 1.096 . . . . 0.0 109.309 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 168.75 -44.43 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.5 1.125 . . . . 0.0 109.331 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 58' ' ' HIS . . . . . 0.438 ' O ' ' N ' ' A' ' 13' ' ' ILE . 1.2 m80 -63.27 -16.96 61.89 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.525 1.141 . . . . 0.0 109.648 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 15.4 m -118.6 149.36 21.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.537 1.148 . . . . 0.0 109.282 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -179.07 -165.16 32.93 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.483 1.115 . . . . 0.0 110.987 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -43.32 161.69 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.417 0.716 . . . . 0.0 109.302 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 3.6 m80 -59.25 172.54 0.6 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.511 1.132 . . . . 0.0 109.572 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 30.9 p -118.16 143.07 46.8 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.522 1.139 . . . . 0.0 109.964 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -56.92 165.93 5.13 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.543 1.152 . . . . 0.0 110.979 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -51.16 0.12 Allowed 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.446 1.761 . . . . 0.0 110.971 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 9.3 t -135.83 94.15 3.03 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.457 1.098 . . . . 0.0 110.013 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 44.7 t -90.36 -59.0 2.3 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.543 1.152 . . . . 0.0 110.037 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.025 0 O-C-N 124.563 1.165 . . . . 0.0 111.049 -179.968 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.987 0 N-CA-C 111.006 -0.837 . . . . 0.0 111.006 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -95.69 119.69 34.64 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.532 0.784 . . . . 0.0 109.99 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 50.0 m -112.43 115.61 28.98 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.508 1.13 . . . . 0.0 109.992 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -153.49 156.08 26.54 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.498 1.124 . . . . 0.0 110.981 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.5 t -70.77 -65.43 0.74 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.469 0.747 . . . . 0.0 109.995 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -170.47 135.23 1.19 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.542 1.151 . . . . 0.0 109.968 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.452 ' HA3' ' CD1' ' A' ' 33' ' ' LEU . . . 120.86 156.73 9.91 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.484 1.115 . . . . 0.0 111.021 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -105.98 122.29 45.83 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.492 0.76 . . . . 0.0 110.294 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' GLU . . . . . 0.482 ' HG3' HD22 ' A' ' 33' ' ' LEU . 0.0 OUTLIER -86.46 123.3 31.53 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.466 1.104 . . . . 0.0 110.255 -179.985 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 10.3 m-85 -135.63 167.78 20.49 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.494 1.121 . . . . 0.0 111.044 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.527 HG13 ' CA ' ' A' ' 29' ' ' GLY . 2.5 t -125.46 141.33 45.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.502 1.126 . . . . 0.0 109.29 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 12' ' ' ALA . . . . . 0.576 ' HB2' ' CD1' ' A' ' 26' ' ' PHE . . . -72.75 117.99 15.13 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.532 1.145 . . . . 0.0 109.337 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.429 ' N ' ' O ' ' A' ' 58' ' ' HIS . 3.2 pt -66.59 -13.65 16.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.491 1.12 . . . . 0.0 109.331 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -166.09 153.14 9.75 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.124 . . . . 0.0 109.326 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 3.5 p-10 -64.99 144.76 57.08 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.468 1.105 . . . . 0.0 109.295 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' TYR . . . . . 0.485 ' CG ' ' N ' ' A' ' 17' ' ' ALA . 32.1 t80 -132.51 166.5 21.92 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.507 1.13 . . . . 0.0 111.001 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.485 ' N ' ' CG ' ' A' ' 16' ' ' TYR . . . -139.37 111.85 7.68 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.471 1.107 . . . . 0.0 109.314 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.432 ' HA ' ' CE2' ' A' ' 16' ' ' TYR . . . -54.89 123.83 14.72 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.517 1.136 . . . . 0.0 109.289 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -87.77 -8.75 55.56 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.515 1.134 . . . . 0.0 110.416 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 20' ' ' ASP . . . . . 0.424 ' HB2' HE21 ' A' ' 23' ' ' GLN . 1.1 m-20 -134.2 171.67 13.93 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.51 1.131 . . . . 0.0 109.33 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -90.43 18.03 6.65 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.498 1.124 . . . . 0.0 110.307 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 69.1 p -122.09 -1.25 9.31 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.546 1.153 . . . . 0.0 110.401 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' GLN . . . . . 0.424 HE21 ' HB2' ' A' ' 20' ' ' ASP . 45.3 mt-30 -105.9 162.1 13.87 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.461 1.101 . . . . 0.0 110.288 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.583 HD13 ' CG ' ' A' ' 47' ' ' ARG . 21.7 mt -104.04 146.85 28.12 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.494 1.122 . . . . 0.0 109.315 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 14.6 p -119.25 129.55 54.98 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.533 1.145 . . . . 0.0 109.965 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' PHE . . . . . 0.6 ' CB ' HD11 ' A' ' 32' ' ' ILE . 5.7 p90 -140.89 -179.24 5.95 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.511 1.132 . . . . 0.0 111.001 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.57 HD12 ' N ' ' A' ' 28' ' ' ARG . 0.1 OUTLIER -124.44 142.83 51.01 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.549 1.156 . . . . 0.0 109.333 179.966 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 28' ' ' ARG . . . . . 0.57 ' N ' HD12 ' A' ' 27' ' ' LEU . 1.5 ttt-85 -40.15 126.62 2.16 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.551 1.157 . . . . 0.0 110.339 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 29' ' ' GLY . . . . . 0.527 ' CA ' HG13 ' A' ' 11' ' ' VAL . . . 101.4 -24.99 29.75 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.498 1.124 . . . . 0.0 110.991 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 4.4 mt-10 -53.83 132.53 41.76 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.49 0.759 . . . . 0.0 110.305 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -77.24 97.82 4.94 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.49 1.119 . . . . 0.0 109.336 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.6 HD11 ' CB ' ' A' ' 26' ' ' PHE . 4.4 mm -92.34 138.42 19.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.482 1.114 . . . . 0.0 109.287 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.482 HD22 ' HG3' ' A' ' 9' ' ' GLU . 0.1 OUTLIER -100.93 117.96 36.02 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.448 1.093 . . . . 0.0 109.258 -179.954 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.724 ' CD1' HD11 ' A' ' 54' ' ' ILE . 31.0 mm -92.32 78.86 1.39 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.517 1.136 . . . . 0.0 109.309 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.451 ' CD1' ' HB3' ' A' ' 46' ' ' GLU . 7.8 mp -45.39 -67.83 0.25 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.456 1.098 . . . . 0.0 109.267 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 42.5 mtt180 -134.41 172.32 13.06 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.538 1.149 . . . . 0.0 110.294 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' GLN . . . . . 0.402 ' O ' ' C ' ' A' ' 38' ' ' THR . 24.9 mt-30 -131.56 66.5 1.54 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.529 1.143 . . . . 0.0 110.29 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 38' ' ' THR . . . . . 0.767 HG22 HG23 ' A' ' 39' ' ' THR . 1.8 m -38.28 -39.93 0.48 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.404 1.065 . . . . 0.0 110.432 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 39' ' ' THR . . . . . 0.767 HG23 HG22 ' A' ' 38' ' ' THR . 69.8 p -135.89 177.98 7.4 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.499 1.125 . . . . 0.0 110.382 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -93.11 -3.59 53.82 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.547 1.154 . . . . 0.0 109.342 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 31.8 m-20 -114.28 -35.99 4.81 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.524 1.14 . . . . 0.0 109.287 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 83.6 m95 -113.11 125.82 54.78 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 107.999 -1.111 . . . . 0.0 107.999 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 44.3 m0 -113.9 148.67 36.37 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.501 1.126 . . . . 0.0 108.023 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 47.8 t-105 -99.91 105.38 17.09 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.512 1.133 . . . . 0.0 108.018 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -102.11 176.01 25.41 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.447 1.092 . . . . 0.0 110.99 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.451 ' HB3' ' CD1' ' A' ' 35' ' ' LEU . 28.3 tt0 -144.11 120.77 11.14 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.508 0.77 . . . . 0.0 110.287 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 47' ' ' ARG . . . . . 0.583 ' CG ' HD13 ' A' ' 24' ' ' LEU . 0.0 OUTLIER -90.91 -172.69 3.43 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.486 1.116 . . . . 0.0 110.312 179.971 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -63.74 103.44 0.56 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.539 1.149 . . . . 0.0 109.262 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 62.32 9.39 23.27 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.496 1.123 . . . . 0.0 110.991 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 1.3 m -114.59 163.17 15.78 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 108.304 -0.998 . . . . 0.0 108.304 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 8.2 p -148.5 112.86 5.28 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.473 1.108 . . . . 0.0 108.321 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -148.05 177.03 26.58 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.55 1.156 . . . . 0.0 110.967 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 2.7 m-85 -92.61 148.57 21.97 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.5 0.765 . . . . 0.0 110.97 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 54' ' ' ILE . . . . . 0.724 HD11 ' CD1' ' A' ' 34' ' ' ILE . 14.7 pt -131.48 152.29 80.22 Favored Pre-proline 0 C--N 1.324 -0.518 0 O-C-N 124.507 1.129 . . . . 0.0 109.289 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 168.44 24.83 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.455 1.766 . . . . 0.0 111.015 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -115.27 87.13 2.59 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.47 1.106 . . . . 0.0 109.298 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER 167.7 -35.84 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.455 1.097 . . . . 0.0 109.331 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 58' ' ' HIS . . . . . 0.429 ' O ' ' N ' ' A' ' 13' ' ' ILE . 12.3 m80 -72.77 -19.21 61.4 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.467 1.104 . . . . 0.0 109.596 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 16.3 m -116.77 150.66 18.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.491 1.119 . . . . 0.0 109.304 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 129.08 59.61 0.1 Allowed Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.447 1.092 . . . . 0.0 110.957 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 2.5 tptp -103.26 -71.08 0.74 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.505 0.768 . . . . 0.0 109.343 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 16.6 p80 -144.25 140.46 29.25 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.52 1.137 . . . . 0.0 109.581 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 48.1 t -134.4 147.25 50.44 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.496 1.123 . . . . 0.0 110.006 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 89.33 155.71 30.85 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.529 1.143 . . . . 0.0 111.041 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 71.86 4.84 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.479 1.778 . . . . 0.0 110.967 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 56.7 m -45.74 -60.7 2.07 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.501 1.126 . . . . 0.0 109.996 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 2.6 m -72.94 110.13 7.01 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.474 1.109 . . . . 0.0 110.022 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.012 0 O-C-N 124.43 1.081 . . . . 0.0 110.983 -179.97 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.01 0 N-CA-C 110.974 -0.851 . . . . 0.0 110.974 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.8 m -100.65 106.28 17.73 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.477 0.751 . . . . 0.0 109.98 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 13.0 t -149.65 105.14 3.41 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.523 1.14 . . . . 0.0 109.978 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -120.83 -90.57 1.15 Allowed Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.534 1.146 . . . . 0.0 110.967 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 82.4 p -147.47 116.12 6.72 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.513 0.773 . . . . 0.0 109.998 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 5.8 t 57.67 166.8 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.502 1.126 . . . . 0.0 110.017 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.476 ' HA3' ' CD1' ' A' ' 33' ' ' LEU . . . 130.12 178.83 15.63 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.483 1.114 . . . . 0.0 111.016 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 8' ' ' GLU . . . . . 0.468 ' CB ' ' HB ' ' A' ' 34' ' ' ILE . 0.0 OUTLIER -129.17 102.98 6.71 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.526 0.78 . . . . 0.0 110.262 -179.953 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 9' ' ' GLU . . . . . 0.464 ' HG2' HD22 ' A' ' 33' ' ' LEU . 0.4 OUTLIER -69.04 121.51 16.82 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.472 1.107 . . . . 0.0 110.305 179.981 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 8.0 m-85 -133.53 171.53 13.96 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.509 1.131 . . . . 0.0 110.989 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.523 HG13 ' HA2' ' A' ' 29' ' ' GLY . 2.1 t -126.71 137.65 57.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.44 1.087 . . . . 0.0 109.27 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -71.47 127.95 34.24 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.49 1.119 . . . . 0.0 109.259 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.615 HD11 ' O ' ' A' ' 57' ' ' ASN . 3.2 pt -83.6 2.85 3.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.482 1.114 . . . . 0.0 109.308 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -170.99 161.88 7.05 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.441 1.088 . . . . 0.0 109.287 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' ASP . . . . . 0.422 ' OD1' ' N ' ' A' ' 15' ' ' ASP . 0.1 OUTLIER -84.59 110.45 18.73 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.485 1.116 . . . . 0.0 109.3 179.986 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 16' ' ' TYR . . . . . 0.422 ' HB3' ' CE1' ' A' ' 26' ' ' PHE . 8.1 t80 -106.15 146.39 30.28 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.469 1.106 . . . . 0.0 110.982 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.409 ' N ' ' CD1' ' A' ' 16' ' ' TYR . . . -129.48 102.64 6.48 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.493 1.121 . . . . 0.0 109.286 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.408 ' HB1' ' HB2' ' A' ' 23' ' ' GLN . . . -53.38 145.55 14.12 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.515 1.134 . . . . 0.0 109.332 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -97.19 -38.28 9.77 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.496 1.123 . . . . 0.0 110.424 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -104.5 -175.57 2.83 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.496 1.123 . . . . 0.0 109.288 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 6.8 pt-20 -96.14 18.28 13.91 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.478 1.112 . . . . 0.0 110.289 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 28.4 p -108.29 -0.24 20.91 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.488 1.117 . . . . 0.0 110.361 -179.935 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' GLN . . . . . 0.408 ' HB2' ' HB1' ' A' ' 18' ' ' ALA . 43.4 mt-30 -130.56 154.46 47.81 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.444 1.09 . . . . 0.0 110.284 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.509 HD13 ' CG ' ' A' ' 47' ' ' ARG . 85.9 mt -101.23 155.84 17.78 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.515 1.134 . . . . 0.0 109.289 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 25' ' ' SER . . . . . 0.403 ' O ' ' NH1' ' A' ' 47' ' ' ARG . 54.8 p -116.86 133.87 55.48 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.542 1.151 . . . . 0.0 110.043 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 26' ' ' PHE . . . . . 0.613 ' CB ' HD11 ' A' ' 32' ' ' ILE . 2.4 p90 -145.58 173.98 11.57 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.497 1.123 . . . . 0.0 111.004 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.608 HD12 ' N ' ' A' ' 28' ' ' ARG . 0.1 OUTLIER -117.34 145.89 43.74 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.491 1.12 . . . . 0.0 109.313 -179.995 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 28' ' ' ARG . . . . . 0.608 ' N ' HD12 ' A' ' 27' ' ' LEU . 72.2 ttt180 -43.8 110.55 0.21 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.531 1.144 . . . . 0.0 110.305 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 29' ' ' GLY . . . . . 0.523 ' HA2' HG13 ' A' ' 11' ' ' VAL . . . 120.05 -35.77 3.68 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.492 1.12 . . . . 0.0 110.989 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -44.01 131.61 5.72 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.505 0.768 . . . . 0.0 110.319 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 1.5 mptt -76.12 100.88 5.13 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.523 1.14 . . . . 0.0 109.299 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.613 HD11 ' CB ' ' A' ' 26' ' ' PHE . 5.3 mm -94.33 126.48 46.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.506 1.129 . . . . 0.0 109.271 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.476 ' CD1' ' HA3' ' A' ' 7' ' ' GLY . 0.2 OUTLIER -88.18 117.81 27.33 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.467 1.105 . . . . 0.0 109.321 179.998 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.65 ' CD1' HD11 ' A' ' 54' ' ' ILE . 26.5 mm -92.35 82.01 1.73 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.491 1.119 . . . . 0.0 109.295 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.446 ' CD1' ' HB3' ' A' ' 46' ' ' GLU . 8.2 mp -48.05 -69.24 0.13 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.451 1.095 . . . . 0.0 109.294 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 3.9 ttt180 -135.92 172.24 13.3 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.499 1.124 . . . . 0.0 110.276 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' GLN . . . . . 0.52 ' HG2' ' CD2' ' A' ' 43' ' ' TRP . 12.0 mt-30 -128.91 71.5 1.42 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.51 1.131 . . . . 0.0 110.331 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 38' ' ' THR . . . . . 0.635 HG22 HG23 ' A' ' 39' ' ' THR . 6.8 m -38.48 -33.01 0.09 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.483 1.115 . . . . 0.0 110.4 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 39' ' ' THR . . . . . 0.635 HG23 HG22 ' A' ' 38' ' ' THR . 68.6 p -148.82 -176.36 5.3 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.492 1.12 . . . . 0.0 110.413 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -98.8 8.84 44.52 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.517 1.136 . . . . 0.0 109.283 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -119.32 -40.51 2.8 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.511 1.132 . . . . 0.0 109.277 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 81.3 m95 -120.77 129.25 53.52 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 108.009 -1.108 . . . . 0.0 108.009 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' TRP . . . . . 0.52 ' CD2' ' HG2' ' A' ' 37' ' ' GLN . 47.0 m0 -112.53 153.42 27.51 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 107.973 -1.121 . . . . 0.0 107.973 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 44' ' ' TRP . . . . . 0.475 ' CE3' ' CD2' ' A' ' 53' ' ' TYR . 68.2 t-105 -99.99 105.18 16.84 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.517 1.136 . . . . 0.0 108.02 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -102.29 171.03 21.01 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.459 1.1 . . . . 0.0 110.982 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.446 ' HB3' ' CD1' ' A' ' 35' ' ' LEU . 20.3 tt0 -139.5 120.65 14.74 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.512 0.772 . . . . 0.0 110.264 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 47' ' ' ARG . . . . . 0.509 ' CG ' HD13 ' A' ' 24' ' ' LEU . 8.9 mmm-85 -91.16 -175.34 4.26 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.51 1.131 . . . . 0.0 110.296 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -60.84 103.84 0.3 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.481 1.113 . . . . 0.0 109.23 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 62.92 8.0 19.75 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.473 1.108 . . . . 0.0 111.009 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -114.8 162.34 17.0 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 108.335 -0.987 . . . . 0.0 108.335 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 7.6 m -148.77 112.86 5.19 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.515 1.134 . . . . 0.0 108.332 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -148.42 179.15 25.5 Favored Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.505 1.128 . . . . 0.0 111.022 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 53' ' ' TYR . . . . . 0.475 ' CD2' ' CE3' ' A' ' 44' ' ' TRP . 1.4 m-85 -93.83 154.1 17.92 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.469 0.747 . . . . 0.0 110.995 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 54' ' ' ILE . . . . . 0.65 HD11 ' CD1' ' A' ' 34' ' ' ILE . 3.7 pt -137.01 151.18 71.6 Favored Pre-proline 0 C--N 1.326 -0.438 0 O-C-N 124.473 1.108 . . . . 0.0 109.296 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 167.88 26.07 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.483 1.781 . . . . 0.0 111.007 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -112.52 85.62 2.2 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.13 . . . . 0.0 109.309 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 57' ' ' ASN . . . . . 0.615 ' O ' HD11 ' A' ' 13' ' ' ILE . 1.5 t-20 168.83 -35.45 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.492 1.12 . . . . 0.0 109.278 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 58' ' ' HIS . . . . . 0.437 ' O ' ' CG1' ' A' ' 13' ' ' ILE . 3.1 m170 -72.62 -28.12 62.57 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.471 1.107 . . . . 0.0 109.586 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 21.4 m -106.11 161.03 5.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.54 1.15 . . . . 0.0 109.321 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -178.2 175.82 47.67 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.43 1.081 . . . . 0.0 110.972 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -97.84 81.82 2.93 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.521 0.777 . . . . 0.0 109.31 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 29.4 t-80 -93.65 138.19 32.13 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.46 1.1 . . . . 0.0 109.626 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -51.77 128.42 23.64 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.513 1.133 . . . . 0.0 110.003 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -43.34 102.2 0.03 OUTLIER Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.461 1.1 . . . . 0.0 110.985 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 82.95 1.9 Allowed 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.463 1.77 . . . . 0.0 110.968 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 55.6 p -44.77 108.47 0.12 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.508 1.13 . . . . 0.0 109.978 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 5.2 t -62.06 -56.39 19.44 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.46 1.1 . . . . 0.0 109.972 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.957 0 O-C-N 124.446 1.091 . . . . 0.0 111.022 -179.96 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.037 0 N-CA-C 110.968 -0.853 . . . . 0.0 110.968 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.7 m -159.5 84.78 0.77 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.499 0.764 . . . . 0.0 109.975 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 9.3 t -118.31 125.93 51.08 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.458 1.099 . . . . 0.0 110.003 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 90.51 -178.79 43.02 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.514 1.134 . . . . 0.0 111.032 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 7.1 t -121.78 109.54 14.81 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.49 0.759 . . . . 0.0 110.007 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -78.75 99.13 6.54 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.535 1.147 . . . . 0.0 110.014 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.446 ' HA3' ' CD1' ' A' ' 33' ' ' LEU . . . -115.44 -173.17 17.43 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.528 1.143 . . . . 0.0 111.04 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -125.56 113.53 17.55 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.529 0.781 . . . . 0.0 110.29 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 9' ' ' GLU . . . . . 0.511 ' HG3' HD22 ' A' ' 33' ' ' LEU . 0.0 OUTLIER -78.04 108.64 11.47 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.512 1.133 . . . . 0.0 110.315 179.977 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 6.5 m-85 -111.99 166.85 10.87 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.518 1.136 . . . . 0.0 110.973 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.482 HG22 ' O ' ' A' ' 29' ' ' GLY . 2.1 t -123.98 137.11 58.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.491 1.119 . . . . 0.0 109.295 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 12' ' ' ALA . . . . . 0.41 ' HB2' ' CD1' ' A' ' 26' ' ' PHE . . . -71.8 118.01 14.11 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.49 1.119 . . . . 0.0 109.291 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 2.4 pt -72.95 -11.16 14.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.469 1.106 . . . . 0.0 109.333 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -169.37 137.98 1.94 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.52 1.138 . . . . 0.0 109.259 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 1.6 p30 -54.71 142.62 27.91 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.502 1.126 . . . . 0.0 109.282 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 51.4 t80 -131.43 155.1 47.92 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.494 1.121 . . . . 0.0 110.991 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -127.53 113.15 15.76 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.538 1.149 . . . . 0.0 109.318 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.72 ' HB1' ' HB2' ' A' ' 23' ' ' GLN . . . -52.95 129.0 29.08 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.485 1.115 . . . . 0.0 109.275 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -85.51 -27.74 25.43 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.477 1.111 . . . . 0.0 110.414 179.939 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 21.0 m-20 -113.69 -176.03 2.81 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.5 1.125 . . . . 0.0 109.301 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -98.31 18.03 17.35 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.485 1.116 . . . . 0.0 110.328 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 39.5 p -127.46 16.6 7.06 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.461 1.101 . . . . 0.0 110.423 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' GLN . . . . . 0.72 ' HB2' ' HB1' ' A' ' 18' ' ' ALA . 96.3 mt-30 -115.53 163.99 14.95 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.47 1.106 . . . . 0.0 110.276 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.637 HD13 ' CG ' ' A' ' 47' ' ' ARG . 19.6 mt -110.09 140.14 44.47 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.524 1.14 . . . . 0.0 109.263 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 14.7 m -115.36 130.52 56.92 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.513 1.133 . . . . 0.0 109.969 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' PHE . . . . . 0.526 ' CB ' HD11 ' A' ' 32' ' ' ILE . 3.3 p90 -140.07 175.16 9.82 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.511 1.132 . . . . 0.0 111.007 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.585 HD12 ' N ' ' A' ' 28' ' ' ARG . 0.1 OUTLIER -115.49 143.84 44.73 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.447 1.092 . . . . 0.0 109.328 179.996 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 28' ' ' ARG . . . . . 0.585 ' N ' HD12 ' A' ' 27' ' ' LEU . 3.9 ttt-85 -42.18 113.7 0.47 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.512 1.133 . . . . 0.0 110.322 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 29' ' ' GLY . . . . . 0.482 ' O ' HG22 ' A' ' 11' ' ' VAL . . . 117.42 -36.71 3.59 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.512 1.132 . . . . 0.0 110.946 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -43.72 132.71 4.94 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.509 0.77 . . . . 0.0 110.304 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 1.8 mptt -77.7 103.77 7.83 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.482 1.114 . . . . 0.0 109.316 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.526 HD11 ' CB ' ' A' ' 26' ' ' PHE . 4.9 mm -96.47 129.2 46.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.505 1.128 . . . . 0.0 109.326 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.511 HD22 ' HG3' ' A' ' 9' ' ' GLU . 0.1 OUTLIER -91.24 120.78 32.44 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.518 1.136 . . . . 0.0 109.316 -179.985 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.715 HD12 HD11 ' A' ' 54' ' ' ILE . 10.1 mm -98.07 100.88 11.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 0.0 109.331 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.414 HD21 ' CB ' ' A' ' 46' ' ' GLU . 2.8 mm? -69.02 -68.42 0.4 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.483 1.115 . . . . 0.0 109.326 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -124.59 170.59 10.78 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.497 1.123 . . . . 0.0 110.344 179.948 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 37' ' ' GLN . . . . . 0.45 ' O ' ' N ' ' A' ' 39' ' ' THR . 59.6 mt-30 -100.86 -23.09 14.64 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.465 1.103 . . . . 0.0 110.24 -179.946 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 38' ' ' THR . . . . . 0.424 HG22 HG23 ' A' ' 39' ' ' THR . 92.1 m 65.02 -74.3 0.05 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.501 1.125 . . . . 0.0 110.401 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 39' ' ' THR . . . . . 0.69 ' O ' ' HB2' ' A' ' 40' ' ' ALA . 9.4 p -123.8 -65.33 1.08 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.515 1.134 . . . . 0.0 110.408 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.69 ' HB2' ' O ' ' A' ' 39' ' ' THR . . . 163.85 -31.89 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.529 1.143 . . . . 0.0 109.305 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -93.6 -25.85 17.35 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.509 1.131 . . . . 0.0 109.297 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 90.5 m95 -122.43 123.77 42.09 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.499 1.124 . . . . 0.0 107.968 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 44.1 m0 -112.52 153.31 27.66 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.533 1.146 . . . . 0.0 107.986 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 44' ' ' TRP . . . . . 0.508 ' CE3' ' CD2' ' A' ' 53' ' ' TYR . 56.4 t-105 -104.0 108.34 19.64 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 107.985 -1.117 . . . . 0.0 107.985 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -107.59 -179.36 22.27 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.475 1.11 . . . . 0.0 111.014 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.414 ' CB ' HD21 ' A' ' 35' ' ' LEU . 28.8 tt0 -142.94 120.68 11.88 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.5 0.765 . . . . 0.0 110.339 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 47' ' ' ARG . . . . . 0.637 ' CG ' HD13 ' A' ' 24' ' ' LEU . 0.1 OUTLIER -92.77 179.9 5.34 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.52 1.138 . . . . 0.0 110.299 -179.994 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -56.49 103.46 0.11 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.488 1.118 . . . . 0.0 109.287 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 62.73 7.67 16.96 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.541 1.151 . . . . 0.0 111.009 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 50' ' ' CYS . . . . . 0.427 ' C ' ' HG ' ' A' ' 51' ' ' CYS . 1.2 m -115.15 158.63 21.96 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 108.321 -0.992 . . . . 0.0 108.321 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 51' ' ' CYS . . . . . 0.427 ' HG ' ' C ' ' A' ' 50' ' ' CYS . 7.4 m -148.73 111.4 4.78 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.551 1.157 . . . . 0.0 108.266 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -148.87 -176.8 22.52 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.436 1.085 . . . . 0.0 110.995 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 53' ' ' TYR . . . . . 0.508 ' CD2' ' CE3' ' A' ' 44' ' ' TRP . 1.5 m-85 -92.49 151.71 20.05 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.507 0.769 . . . . 0.0 111.005 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 54' ' ' ILE . . . . . 0.715 HD11 HD12 ' A' ' 34' ' ' ILE . 3.6 pt -135.11 148.57 67.18 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.509 1.13 . . . . 0.0 109.314 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 55' ' ' PRO . . . . . 0.409 ' HD3' ' HA ' ' A' ' 54' ' ' ILE . 18.1 Cg_endo -75.04 160.47 40.0 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.453 1.765 . . . . 0.0 111.001 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -108.28 83.16 1.74 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.566 1.166 . . . . 0.0 109.331 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 25.5 t-20 177.19 -40.35 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.537 1.148 . . . . 0.0 109.317 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 40.8 m80 -70.55 -20.4 62.8 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.449 1.093 . . . . 0.0 109.634 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 10.9 m -118.58 144.41 26.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.536 1.148 . . . . 0.0 109.268 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -166.56 -144.84 4.24 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.515 1.135 . . . . 0.0 111.017 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 10.7 mmtm 57.12 171.84 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.519 0.776 . . . . 0.0 109.296 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -159.06 137.23 10.55 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.511 1.132 . . . . 0.0 109.625 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -140.17 -59.65 0.54 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.488 1.117 . . . . 0.0 110.007 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 130.71 179.73 16.31 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.527 1.142 . . . . 0.0 110.988 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 92.81 0.97 Allowed 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.502 1.791 . . . . 0.0 111.004 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 66' ' ' SER . . . . . 0.443 ' O ' ' N ' ' A' ' 68' ' ' GLY . 9.6 t -106.48 110.77 23.08 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.528 1.143 . . . . 0.0 110.041 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 75.2 m 64.48 -76.46 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.53 1.144 . . . . 0.0 110.055 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 68' ' ' GLY . . . . . 0.443 ' N ' ' O ' ' A' ' 66' ' ' SER . . . . . . . . 0 CA--C 1.53 1.014 0 O-C-N 124.519 1.137 . . . . 0.0 111.028 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.036 0 N-CA-C 110.984 -0.847 . . . . 0.0 110.984 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 33.7 t -179.52 128.39 0.09 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.563 0.802 . . . . 0.0 109.992 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 69.4 m -98.37 102.29 13.99 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.467 1.105 . . . . 0.0 110.046 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -178.98 -70.25 0.06 OUTLIER Glycine 0 CA--C 1.529 0.947 0 O-C-N 124.488 1.118 . . . . 0.0 111.051 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.6 m 53.02 84.79 0.05 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.479 0.752 . . . . 0.0 110.011 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 50.5 m 66.28 126.14 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.484 1.115 . . . . 0.0 109.988 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -175.89 168.12 40.24 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.505 1.128 . . . . 0.0 110.966 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -120.35 109.2 15.07 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.515 0.773 . . . . 0.0 110.338 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -73.4 120.47 19.05 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.52 1.137 . . . . 0.0 110.315 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 5.7 m-85 -131.12 160.87 33.47 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.543 1.152 . . . . 0.0 111.011 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.592 HG13 ' HA2' ' A' ' 29' ' ' GLY . 2.1 t -117.74 142.03 33.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.533 1.145 . . . . 0.0 109.269 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 12' ' ' ALA . . . . . 0.421 ' O ' ' HA ' ' A' ' 28' ' ' ARG . . . -74.93 118.21 17.64 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.529 1.143 . . . . 0.0 109.278 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.544 HD13 ' HG3' ' A' ' 61' ' ' LYS . 2.5 pt -76.02 -3.69 5.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.493 1.121 . . . . 0.0 109.308 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -171.16 138.31 1.23 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.542 1.152 . . . . 0.0 109.256 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 6.4 p-10 -60.73 140.45 57.53 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.445 1.09 . . . . 0.0 109.309 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 53.7 t80 -130.88 161.36 32.02 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.543 1.152 . . . . 0.0 111.009 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -133.33 115.61 15.11 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.474 1.109 . . . . 0.0 109.314 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -53.94 115.76 2.19 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.462 1.101 . . . . 0.0 109.29 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 72.0 p -82.67 -10.11 59.07 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.492 1.12 . . . . 0.0 110.425 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' ASP . . . . . 0.45 ' HB2' HE21 ' A' ' 23' ' ' GLN . 2.7 m-20 -138.25 173.97 11.05 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.474 1.109 . . . . 0.0 109.33 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 13.5 pt-20 -88.47 17.25 5.49 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.545 1.153 . . . . 0.0 110.243 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 21.0 p -123.15 13.41 9.67 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.454 1.097 . . . . 0.0 110.441 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' GLN . . . . . 0.45 HE21 ' HB2' ' A' ' 20' ' ' ASP . 36.2 mt-30 -125.06 157.08 37.12 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.479 1.112 . . . . 0.0 110.28 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.669 HD13 ' CG ' ' A' ' 47' ' ' ARG . 12.7 mt -100.1 146.13 27.15 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.514 1.133 . . . . 0.0 109.347 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 79.7 p -111.94 137.81 49.42 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.512 1.132 . . . . 0.0 109.969 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' PHE . . . . . 0.659 ' CB ' HD11 ' A' ' 32' ' ' ILE . 11.0 p90 -154.39 -178.9 7.46 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.501 1.125 . . . . 0.0 111.029 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.594 HD12 ' N ' ' A' ' 28' ' ' ARG . 0.1 OUTLIER -127.69 142.86 51.22 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.533 1.145 . . . . 0.0 109.339 179.983 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 28' ' ' ARG . . . . . 0.594 ' N ' HD12 ' A' ' 27' ' ' LEU . 8.8 ttt85 -39.16 115.33 0.48 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.531 1.144 . . . . 0.0 110.32 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 29' ' ' GLY . . . . . 0.592 ' HA2' HG13 ' A' ' 11' ' ' VAL . . . 114.65 -40.41 2.48 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.525 1.141 . . . . 0.0 111.01 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -39.04 134.38 1.05 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.509 0.77 . . . . 0.0 110.313 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.453 ' O ' ' NH2' ' A' ' 47' ' ' ARG . 0.3 OUTLIER -74.81 100.34 4.01 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.549 1.156 . . . . 0.0 109.302 -179.998 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.659 HD11 ' CB ' ' A' ' 26' ' ' PHE . 4.4 mm -95.45 123.95 47.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.53 1.144 . . . . 0.0 109.262 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.497 HD12 HD12 ' A' ' 35' ' ' LEU . 0.2 OUTLIER -89.5 117.66 28.57 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.484 1.115 . . . . 0.0 109.321 179.967 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.615 ' CD1' HD11 ' A' ' 54' ' ' ILE . 33.3 mm -91.16 77.63 1.35 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.472 1.107 . . . . 0.0 109.279 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.657 HD22 ' HB2' ' A' ' 46' ' ' GLU . 7.0 mp -46.1 -67.61 0.27 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.426 1.079 . . . . 0.0 109.345 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 5.6 ttt180 -128.38 163.01 25.77 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.496 1.122 . . . . 0.0 110.313 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' GLN . . . . . 0.445 ' O ' ' N ' ' A' ' 39' ' ' THR . 6.6 mt-30 -99.08 -50.83 4.03 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.513 1.133 . . . . 0.0 110.302 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 21.0 m 66.61 -69.79 0.12 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.497 1.123 . . . . 0.0 110.409 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' THR . . . . . 0.445 ' N ' ' O ' ' A' ' 37' ' ' GLN . 14.4 p -123.22 160.58 26.28 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.53 1.144 . . . . 0.0 110.406 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -86.51 10.49 15.15 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.562 1.164 . . . . 0.0 109.308 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 3.6 t0 -121.73 -42.22 2.43 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.464 1.102 . . . . 0.0 109.262 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 78.8 m95 -120.52 130.26 54.17 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.474 1.109 . . . . 0.0 108.028 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 45.4 m0 -113.15 160.12 18.55 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.484 1.115 . . . . 0.0 108.015 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 41.0 t-105 -106.79 107.92 19.17 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.498 1.123 . . . . 0.0 107.975 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -105.02 174.78 21.73 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.478 1.111 . . . . 0.0 110.993 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.657 ' HB2' HD22 ' A' ' 35' ' ' LEU . 20.1 tt0 -146.62 120.22 9.14 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.464 0.744 . . . . 0.0 110.256 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 47' ' ' ARG . . . . . 0.669 ' CG ' HD13 ' A' ' 24' ' ' LEU . 0.0 OUTLIER -93.65 -176.09 3.96 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.526 1.141 . . . . 0.0 110.303 179.945 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -57.85 103.17 0.12 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.464 1.103 . . . . 0.0 109.24 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 62.4 9.2 22.81 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.486 1.116 . . . . 0.0 110.98 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 1.1 m -114.45 157.35 23.02 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 108.289 -1.004 . . . . 0.0 108.289 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 8.2 p -148.46 112.2 5.09 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.481 1.113 . . . . 0.0 108.267 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -148.14 178.96 25.38 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.551 1.157 . . . . 0.0 111.013 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 2.7 m-85 -91.86 148.91 21.87 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.55 0.794 . . . . 0.0 111.033 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 54' ' ' ILE . . . . . 0.615 HD11 ' CD1' ' A' ' 34' ' ' ILE . 5.1 pt -134.42 151.41 76.13 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.52 1.138 . . . . 0.0 109.324 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 55' ' ' PRO . . . . . 0.402 ' HD3' ' HA ' ' A' ' 54' ' ' ILE . 18.3 Cg_endo -74.99 167.32 27.31 Favored 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.499 1.789 . . . . 0.0 111.033 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -111.3 84.48 1.95 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.503 1.127 . . . . 0.0 109.286 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 1.8 t-20 170.68 -35.39 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.511 1.132 . . . . 0.0 109.295 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 58' ' ' HIS . . . . . 0.435 ' O ' ' CG1' ' A' ' 13' ' ' ILE . 13.9 m80 -69.28 -28.47 66.32 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.478 1.111 . . . . 0.0 109.623 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 13.3 m -101.58 145.69 11.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.516 1.135 . . . . 0.0 109.332 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 45.56 -167.19 0.05 OUTLIER Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.484 1.115 . . . . 0.0 110.986 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 61' ' ' LYS . . . . . 0.544 ' HG3' HD13 ' A' ' 13' ' ' ILE . 2.0 mmtt -172.29 -52.38 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.517 0.775 . . . . 0.0 109.27 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 14.7 m80 -135.66 -55.43 0.78 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.496 1.122 . . . . 0.0 109.617 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 49.9 m 62.02 142.32 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.487 1.117 . . . . 0.0 110.016 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 170.76 -157.96 29.31 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.514 1.134 . . . . 0.0 110.987 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 160.2 40.5 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.476 1.777 . . . . 0.0 111.018 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 39.1 m -121.89 143.32 49.51 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.488 1.117 . . . . 0.0 109.977 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 21.9 t -154.8 120.04 4.99 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.508 1.13 . . . . 0.0 109.993 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.964 0 O-C-N 124.548 1.155 . . . . 0.0 111.012 -180.0 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.003 0 N-CA-C 111.025 -0.83 . . . . 0.0 111.025 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 89.1 p -56.25 156.29 5.9 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.521 0.777 . . . . 0.0 110.028 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -144.01 147.37 33.78 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.53 1.144 . . . . 0.0 109.997 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 93.02 142.46 11.65 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.448 1.092 . . . . 0.0 111.005 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 29.9 m -105.09 -57.2 2.06 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.486 0.756 . . . . 0.0 110.012 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -90.25 158.37 17.23 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.451 1.094 . . . . 0.0 109.992 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -108.68 178.27 20.92 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.483 1.115 . . . . 0.0 110.979 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 8.9 mt-10 -121.41 135.13 55.1 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.529 0.782 . . . . 0.0 110.286 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' GLU . . . . . 0.407 ' HG3' HD22 ' A' ' 33' ' ' LEU . 0.0 OUTLIER -90.89 117.82 29.79 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.461 1.1 . . . . 0.0 110.319 179.971 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 14.6 m-85 -115.89 163.39 15.95 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.537 1.148 . . . . 0.0 111.013 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.493 HG13 ' HA2' ' A' ' 29' ' ' GLY . 2.3 t -124.09 136.45 60.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.498 1.124 . . . . 0.0 109.267 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 12' ' ' ALA . . . . . 0.404 ' O ' ' HA ' ' A' ' 28' ' ' ARG . . . -70.96 117.9 13.04 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.486 1.116 . . . . 0.0 109.292 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.407 ' N ' ' O ' ' A' ' 58' ' ' HIS . 2.9 pt -66.14 -17.27 22.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.458 1.098 . . . . 0.0 109.319 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -163.81 156.82 18.21 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.472 1.107 . . . . 0.0 109.308 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 2.9 p-10 -62.37 143.79 56.57 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.406 1.066 . . . . 0.0 109.316 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' TYR . . . . . 0.529 ' HB3' ' CE1' ' A' ' 26' ' ' PHE . 11.2 t80 -133.17 152.49 51.94 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.533 1.145 . . . . 0.0 110.974 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -129.9 114.45 15.89 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.491 1.119 . . . . 0.0 109.284 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.669 ' HB1' ' HB2' ' A' ' 23' ' ' GLN . . . -53.12 130.94 35.83 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.515 1.134 . . . . 0.0 109.289 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -84.45 -36.5 22.29 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.45 1.094 . . . . 0.0 110.388 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 5.3 t0 -108.43 -172.65 2.1 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.566 1.166 . . . . 0.0 109.265 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -99.82 17.66 20.21 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.48 1.112 . . . . 0.0 110.293 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 40.9 p -127.79 28.95 5.53 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.459 1.1 . . . . 0.0 110.382 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' GLN . . . . . 0.669 ' HB2' ' HB1' ' A' ' 18' ' ' ALA . 81.5 mt-30 -126.52 163.45 23.36 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.477 1.11 . . . . 0.0 110.309 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.513 HD13 ' CG ' ' A' ' 47' ' ' ARG . 21.7 mt -105.91 136.33 45.75 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.49 1.119 . . . . 0.0 109.348 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 9.8 p -109.36 133.22 53.33 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.507 1.129 . . . . 0.0 109.983 -179.933 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' PHE . . . . . 0.529 ' CE1' ' HB3' ' A' ' 16' ' ' TYR . 2.0 p90 -143.53 -178.96 6.14 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.459 1.099 . . . . 0.0 110.988 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.58 HD12 ' N ' ' A' ' 28' ' ' ARG . 0.1 OUTLIER -127.44 143.9 51.13 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.506 1.129 . . . . 0.0 109.289 179.973 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 28' ' ' ARG . . . . . 0.58 ' N ' HD12 ' A' ' 27' ' ' LEU . 5.3 ttt180 -39.01 122.9 1.25 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.477 1.111 . . . . 0.0 110.275 -179.942 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 29' ' ' GLY . . . . . 0.493 ' HA2' HG13 ' A' ' 11' ' ' VAL . . . 104.63 -32.0 7.99 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.498 1.124 . . . . 0.0 111.035 -179.944 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 4.8 mt-10 -45.93 129.96 9.63 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.512 0.772 . . . . 0.0 110.317 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 19.3 mmtt -76.51 102.32 6.0 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.494 1.121 . . . . 0.0 109.297 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.475 HD11 ' CB ' ' A' ' 26' ' ' PHE . 4.9 mm -94.95 158.07 2.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.541 1.151 . . . . 0.0 109.274 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.407 HD22 ' HG3' ' A' ' 9' ' ' GLU . 0.1 OUTLIER -117.88 134.0 55.37 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.47 1.106 . . . . 0.0 109.341 179.972 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.647 ' CD1' HD11 ' A' ' 54' ' ' ILE . 30.2 mm -112.41 94.9 3.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.572 1.17 . . . . 0.0 109.293 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 2.3 mm? -70.54 -63.04 1.17 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.486 1.116 . . . . 0.0 109.317 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -131.55 155.27 47.76 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.461 1.101 . . . . 0.0 110.308 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 37' ' ' GLN . . . . . 0.442 ' O ' ' N ' ' A' ' 39' ' ' THR . 38.7 mt-30 -89.71 -16.45 30.35 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.473 1.108 . . . . 0.0 110.307 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 38' ' ' THR . . . . . 0.494 HG22 HG23 ' A' ' 39' ' ' THR . 90.5 m 62.67 -78.91 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.491 1.119 . . . . 0.0 110.411 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 39' ' ' THR . . . . . 0.608 ' O ' ' HB2' ' A' ' 40' ' ' ALA . 22.9 p -116.86 -64.22 1.34 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.524 1.14 . . . . 0.0 110.459 179.945 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.608 ' HB2' ' O ' ' A' ' 39' ' ' THR . . . 169.08 -39.88 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.487 1.117 . . . . 0.0 109.302 179.941 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -87.39 -39.05 15.62 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.493 1.121 . . . . 0.0 109.329 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 94.0 m95 -106.17 123.52 48.16 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.539 1.149 . . . . 0.0 108.003 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' TRP . . . . . 0.421 ' NE1' ' O ' ' A' ' 40' ' ' ALA . 43.8 m0 -112.24 154.76 25.11 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.505 1.128 . . . . 0.0 108.024 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 44' ' ' TRP . . . . . 0.539 ' CE3' ' CE2' ' A' ' 53' ' ' TYR . 56.1 t-105 -104.9 106.11 16.46 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 107.98 -1.119 . . . . 0.0 107.98 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -105.64 -171.97 23.73 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.438 1.086 . . . . 0.0 111.033 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.402 ' HG3' ' HG ' ' A' ' 51' ' ' CYS . 34.2 tt0 -147.8 121.3 9.11 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.479 0.752 . . . . 0.0 110.312 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 47' ' ' ARG . . . . . 0.513 ' CG ' HD13 ' A' ' 24' ' ' LEU . 3.1 mmm180 -91.3 -177.14 4.77 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.484 1.115 . . . . 0.0 110.334 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -59.46 103.79 0.22 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.501 1.126 . . . . 0.0 109.267 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 62.94 7.14 14.87 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.503 1.127 . . . . 0.0 110.989 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 1.1 m -115.23 162.06 17.59 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 108.297 -1.001 . . . . 0.0 108.297 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 51' ' ' CYS . . . . . 0.402 ' HG ' ' HG3' ' A' ' 46' ' ' GLU . 11.6 m -148.59 111.18 4.74 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.546 1.154 . . . . 0.0 108.294 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -148.92 -176.9 22.64 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.488 1.117 . . . . 0.0 110.999 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 53' ' ' TYR . . . . . 0.539 ' CE2' ' CE3' ' A' ' 44' ' ' TRP . 4.2 m-85 -90.19 160.53 16.18 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.518 0.775 . . . . 0.0 111.019 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 54' ' ' ILE . . . . . 0.647 HD11 ' CD1' ' A' ' 34' ' ' ILE . 2.6 pt -144.75 147.6 36.24 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.479 1.112 . . . . 0.0 109.257 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 55' ' ' PRO . . . . . 0.407 ' HD3' ' HA ' ' A' ' 54' ' ' ILE . 18.3 Cg_endo -75.06 163.63 34.83 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.529 1.804 . . . . 0.0 111.002 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -110.19 84.03 1.86 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.514 1.134 . . . . 0.0 109.304 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 38.5 t-20 177.32 -38.56 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.449 1.093 . . . . 0.0 109.31 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 58' ' ' HIS . . . . . 0.407 ' O ' ' N ' ' A' ' 13' ' ' ILE . 29.5 m-70 -70.98 -28.1 64.2 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.529 1.143 . . . . 0.0 109.618 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 15.7 m -111.0 149.3 13.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.51 1.131 . . . . 0.0 109.304 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -159.01 -145.01 4.12 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.518 1.136 . . . . 0.0 111.005 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -110.64 138.57 46.87 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.519 0.776 . . . . 0.0 109.286 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 62' ' ' HIS . . . . . 0.415 ' NE2' ' HA2' ' A' ' 64' ' ' GLY . 60.1 t60 -107.11 138.33 43.49 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.489 1.118 . . . . 0.0 109.606 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 3.0 m -95.18 -61.04 1.55 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.511 1.132 . . . . 0.0 109.993 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 64' ' ' GLY . . . . . 0.415 ' HA2' ' NE2' ' A' ' 62' ' ' HIS . . . 139.36 -145.96 17.35 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.524 1.14 . . . . 0.0 110.977 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -39.05 1.33 Allowed 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.482 1.78 . . . . 0.0 111.036 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 3.3 m 58.87 89.11 0.06 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.524 1.14 . . . . 0.0 110.012 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -50.67 156.67 0.89 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.512 1.133 . . . . 0.0 110.039 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.024 0 O-C-N 124.451 1.094 . . . . 0.0 110.958 179.988 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.027 0 N-CA-C 110.99 -0.844 . . . . 0.0 110.99 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -98.14 -76.95 0.52 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.496 0.763 . . . . 0.0 109.988 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 31.2 m -140.94 141.19 34.52 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.484 1.115 . . . . 0.0 110.011 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 121.59 -164.88 14.63 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.482 1.114 . . . . 0.0 111.033 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 88.0 p -54.28 145.82 16.86 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.508 0.769 . . . . 0.0 109.968 -179.939 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 14.8 m -132.88 89.18 2.59 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.518 1.136 . . . . 0.0 109.966 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.476 ' HA3' ' CD1' ' A' ' 33' ' ' LEU . . . 72.19 -170.28 50.2 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.452 1.095 . . . . 0.0 111.006 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -123.81 121.2 34.79 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.503 0.767 . . . . 0.0 110.302 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' GLU . . . . . 0.466 ' HG3' ' CD2' ' A' ' 33' ' ' LEU . 0.1 OUTLIER -78.98 104.17 9.44 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.513 1.133 . . . . 0.0 110.288 -179.997 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 11.0 m-85 -106.88 160.39 15.55 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.519 1.137 . . . . 0.0 110.969 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.518 HG13 ' HA2' ' A' ' 29' ' ' GLY . 2.2 t -121.21 136.55 57.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.496 1.122 . . . . 0.0 109.265 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 12' ' ' ALA . . . . . 0.405 ' O ' ' HA ' ' A' ' 28' ' ' ARG . . . -70.91 117.95 13.07 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.472 1.107 . . . . 0.0 109.361 179.945 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 3.5 pt -67.33 -18.38 23.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.482 1.114 . . . . 0.0 109.323 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -162.57 152.3 15.96 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.498 1.124 . . . . 0.0 109.311 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 4.8 p-10 -59.37 141.35 54.76 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.513 1.133 . . . . 0.0 109.295 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' TYR . . . . . 0.448 ' HB3' ' CE1' ' A' ' 26' ' ' PHE . 82.9 t80 -131.56 153.3 50.0 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.472 1.107 . . . . 0.0 110.977 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -128.35 112.5 14.5 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.472 1.108 . . . . 0.0 109.28 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.587 ' HB1' ' HB2' ' A' ' 23' ' ' GLN . . . -53.17 120.18 5.63 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.471 1.107 . . . . 0.0 109.302 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -76.7 -27.05 55.36 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.535 1.147 . . . . 0.0 110.394 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 5.3 t0 -116.76 173.21 6.76 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.525 1.141 . . . . 0.0 109.277 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -90.79 17.57 7.55 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.532 1.145 . . . . 0.0 110.321 179.94 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 81.3 p -121.96 6.76 9.81 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.452 1.095 . . . . 0.0 110.413 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' GLN . . . . . 0.587 ' HB2' ' HB1' ' A' ' 18' ' ' ALA . 24.3 mt-30 -108.19 170.56 7.93 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.479 1.112 . . . . 0.0 110.331 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.651 HD13 ' HG2' ' A' ' 47' ' ' ARG . 20.5 mt -110.85 142.98 42.15 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.453 1.095 . . . . 0.0 109.292 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 8.5 p -113.66 129.03 56.64 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.509 1.131 . . . . 0.0 110.026 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' PHE . . . . . 0.511 ' CB ' HD11 ' A' ' 32' ' ' ILE . 2.1 p90 -138.73 -178.96 5.54 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.456 1.097 . . . . 0.0 111.007 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.562 HD12 ' N ' ' A' ' 28' ' ' ARG . 0.1 OUTLIER -126.23 142.19 51.62 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.558 1.162 . . . . 0.0 109.317 179.979 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 28' ' ' ARG . . . . . 0.562 ' N ' HD12 ' A' ' 27' ' ' LEU . 9.2 ttt180 -38.89 118.1 0.73 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.435 1.084 . . . . 0.0 110.308 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 29' ' ' GLY . . . . . 0.518 ' HA2' HG13 ' A' ' 11' ' ' VAL . . . 109.0 -31.17 7.93 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.483 1.114 . . . . 0.0 110.988 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -47.24 130.72 13.1 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.536 0.786 . . . . 0.0 110.26 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 45.0 mmtt -76.99 103.21 6.79 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.522 1.139 . . . . 0.0 109.317 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.511 HD11 ' CB ' ' A' ' 26' ' ' PHE . 4.7 mm -95.59 144.64 9.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.535 1.147 . . . . 0.0 109.331 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.476 ' CD1' ' HA3' ' A' ' 7' ' ' GLY . 0.2 OUTLIER -107.13 125.17 50.72 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.515 1.134 . . . . 0.0 109.308 -179.969 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.546 ' CD1' ' CD1' ' A' ' 54' ' ' ILE . 35.0 mm -101.65 100.7 10.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.522 1.139 . . . . 0.0 109.306 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.798 HD21 ' CB ' ' A' ' 46' ' ' GLU . 0.4 OUTLIER -71.18 -67.5 0.51 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.472 1.108 . . . . 0.0 109.278 -179.997 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 12.7 mmt85 -127.1 168.46 14.59 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.453 1.096 . . . . 0.0 110.325 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 37' ' ' GLN . . . . . 0.436 ' O ' ' N ' ' A' ' 39' ' ' THR . 57.7 mt-30 -100.13 -31.29 11.48 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.461 1.1 . . . . 0.0 110.302 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 10.0 m 67.9 -66.77 0.21 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.526 1.141 . . . . 0.0 110.405 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 39' ' ' THR . . . . . 0.479 ' O ' ' HB2' ' A' ' 40' ' ' ALA . 3.3 p -123.41 -80.05 0.62 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.43 1.081 . . . . 0.0 110.345 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.479 ' HB2' ' O ' ' A' ' 39' ' ' THR . . . 176.87 -42.25 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.519 1.137 . . . . 0.0 109.3 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -82.72 -35.42 26.7 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.455 1.097 . . . . 0.0 109.317 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 93.2 m95 -113.73 124.81 53.18 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.485 1.115 . . . . 0.0 108.003 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 43' ' ' TRP . . . . . 0.411 ' NE1' ' O ' ' A' ' 40' ' ' ALA . 46.7 m0 -111.86 161.53 16.27 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 107.954 -1.128 . . . . 0.0 107.954 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 44' ' ' TRP . . . . . 0.439 ' CE3' ' CD2' ' A' ' 53' ' ' TYR . 68.9 t-105 -108.3 109.38 20.71 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.492 1.12 . . . . 0.0 108.003 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 45' ' ' GLY . . . . . 0.509 ' HA2' HD22 ' A' ' 35' ' ' LEU . . . -105.36 -172.75 24.05 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.556 1.16 . . . . 0.0 111.004 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.798 ' CB ' HD21 ' A' ' 35' ' ' LEU . 22.1 tt0 -152.02 120.65 6.49 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.464 0.743 . . . . 0.0 110.355 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 47' ' ' ARG . . . . . 0.651 ' HG2' HD13 ' A' ' 24' ' ' LEU . 0.3 OUTLIER -92.88 -173.7 3.38 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.473 1.108 . . . . 0.0 110.269 -179.986 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -60.93 103.14 0.24 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.527 1.142 . . . . 0.0 109.298 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 62.3 9.08 21.48 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.485 1.116 . . . . 0.0 110.958 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -114.74 160.39 19.46 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 108.326 -0.99 . . . . 0.0 108.326 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 12.0 p -148.66 112.3 5.06 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.498 1.124 . . . . 0.0 108.296 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -148.37 -177.65 22.84 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.509 1.13 . . . . 0.0 111.018 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 53' ' ' TYR . . . . . 0.439 ' CD2' ' CE3' ' A' ' 44' ' ' TRP . 10.8 m-85 -94.53 151.05 19.65 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.559 0.799 . . . . 0.0 111.014 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 54' ' ' ILE . . . . . 0.546 ' CD1' ' CD1' ' A' ' 34' ' ' ILE . 2.6 pt -132.61 150.9 77.1 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.49 1.119 . . . . 0.0 109.289 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 55' ' ' PRO . . . . . 0.401 ' HD3' ' HA ' ' A' ' 54' ' ' ILE . 18.5 Cg_endo -74.94 175.77 10.78 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.477 1.777 . . . . 0.0 111.016 179.937 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -121.94 86.27 2.55 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.543 1.152 . . . . 0.0 109.291 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 4.6 t-20 169.38 -36.56 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.495 1.122 . . . . 0.0 109.308 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 80.0 m-70 -71.73 -25.03 61.89 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.541 1.151 . . . . 0.0 109.552 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 11.0 m -111.24 144.25 19.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.486 1.116 . . . . 0.0 109.309 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -154.56 -144.77 4.0 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.473 1.108 . . . . 0.0 111.008 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 11.1 tptt -127.11 98.56 5.35 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.475 0.75 . . . . 0.0 109.325 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 1.7 t60 -109.65 163.56 13.36 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.48 1.113 . . . . 0.0 109.591 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -138.7 114.14 9.67 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.473 1.108 . . . . 0.0 109.988 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 163.64 151.25 6.38 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.511 1.132 . . . . 0.0 111.029 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 155.66 43.01 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.495 1.787 . . . . 0.0 110.986 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 9.8 t -169.06 81.47 0.13 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.545 1.153 . . . . 0.0 109.982 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -165.73 156.86 13.79 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.517 1.136 . . . . 0.0 110.006 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.983 0 O-C-N 124.529 1.143 . . . . 0.0 111.049 -179.958 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.014 0 N-CA-C 110.934 -0.867 . . . . 0.0 110.934 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 60.4 p -109.85 90.83 3.42 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.502 0.766 . . . . 0.0 110.019 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 46.3 m -98.18 115.23 27.88 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.517 1.136 . . . . 0.0 109.981 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 79.61 122.03 0.38 Allowed Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.494 1.121 . . . . 0.0 111.024 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 37.2 m -80.12 162.75 24.59 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.442 0.731 . . . . 0.0 110.041 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.1 m 61.48 75.58 0.4 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.507 1.129 . . . . 0.0 110.022 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.463 ' HA3' ' CD1' ' A' ' 33' ' ' LEU . . . 60.86 -176.02 4.66 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.488 1.118 . . . . 0.0 110.974 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 24.0 mt-10 -116.42 125.92 52.7 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.514 0.773 . . . . 0.0 110.253 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' GLU . . . . . 0.483 ' OE1' ' CG ' ' A' ' 31' ' ' LYS . 0.0 OUTLIER -83.64 109.64 17.61 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.499 1.124 . . . . 0.0 110.28 179.972 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 11.4 m-85 -112.87 156.71 22.46 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.482 1.114 . . . . 0.0 111.021 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.511 HG22 ' O ' ' A' ' 29' ' ' GLY . 2.1 t -116.71 140.05 40.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.522 1.139 . . . . 0.0 109.345 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 12' ' ' ALA . . . . . 0.4 ' O ' ' HA ' ' A' ' 28' ' ' ARG . . . -71.87 118.11 14.32 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.518 1.136 . . . . 0.0 109.293 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 3.0 pt -71.21 -13.59 17.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.543 1.152 . . . . 0.0 109.272 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -168.7 141.93 2.95 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.485 1.115 . . . . 0.0 109.279 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 1.9 p-10 -59.15 143.75 47.89 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.521 1.138 . . . . 0.0 109.275 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 30.6 t80 -133.56 161.79 33.66 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.492 1.12 . . . . 0.0 110.999 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -131.59 107.98 9.21 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.485 1.116 . . . . 0.0 109.311 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -53.01 123.03 10.54 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.55 1.156 . . . . 0.0 109.306 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -82.51 -22.7 34.95 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.534 1.146 . . . . 0.0 110.432 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -120.04 -177.63 3.46 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.502 1.127 . . . . 0.0 109.315 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 7.5 pt-20 -98.06 17.8 17.57 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.51 1.131 . . . . 0.0 110.298 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 81.2 p -118.1 -5.12 10.96 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.492 1.12 . . . . 0.0 110.381 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 37.4 mt-30 -103.61 159.77 15.32 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.486 1.116 . . . . 0.0 110.279 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.902 HD13 ' CG ' ' A' ' 47' ' ' ARG . 18.2 mt -106.83 144.01 34.09 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.534 1.146 . . . . 0.0 109.28 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 25' ' ' SER . . . . . 0.431 ' O ' ' NE ' ' A' ' 47' ' ' ARG . 13.3 p -112.71 133.08 54.9 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.456 1.097 . . . . 0.0 109.993 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 26' ' ' PHE . . . . . 0.457 ' CB ' HD11 ' A' ' 32' ' ' ILE . 2.2 p90 -143.76 176.59 9.13 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.493 1.12 . . . . 0.0 110.999 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.575 HD12 ' N ' ' A' ' 28' ' ' ARG . 0.1 OUTLIER -119.92 142.63 48.55 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.518 1.136 . . . . 0.0 109.289 179.984 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 28' ' ' ARG . . . . . 0.575 ' N ' HD12 ' A' ' 27' ' ' LEU . 4.9 ttt-85 -41.16 112.3 0.29 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.444 1.09 . . . . 0.0 110.295 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 29' ' ' GLY . . . . . 0.511 ' O ' HG22 ' A' ' 11' ' ' VAL . . . 118.05 -37.76 3.15 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.521 1.138 . . . . 0.0 110.964 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -40.72 131.81 2.31 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.502 0.766 . . . . 0.0 110.322 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.483 ' CG ' ' OE1' ' A' ' 9' ' ' GLU . 0.4 OUTLIER -77.35 102.92 7.0 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.499 1.125 . . . . 0.0 109.25 -179.962 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.457 HD11 ' CB ' ' A' ' 26' ' ' PHE . 4.7 mm -96.0 149.18 4.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.488 1.118 . . . . 0.0 109.262 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.463 ' CD1' ' HA3' ' A' ' 7' ' ' GLY . 0.1 OUTLIER -114.24 124.86 53.08 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.474 1.108 . . . . 0.0 109.339 179.977 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.523 ' CD1' ' CD1' ' A' ' 54' ' ' ILE . 15.1 mm -99.88 102.4 13.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.558 1.161 . . . . 0.0 109.282 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.443 HD21 ' CB ' ' A' ' 46' ' ' GLU . 3.0 mm? -71.64 -68.23 0.47 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.127 . . . . 0.0 109.282 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 14.9 mtp180 -123.2 168.78 12.0 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.524 1.14 . . . . 0.0 110.319 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 37' ' ' GLN . . . . . 0.418 ' O ' ' N ' ' A' ' 39' ' ' THR . 40.0 mt-30 -97.37 -28.56 13.97 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.506 1.129 . . . . 0.0 110.277 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 38' ' ' THR . . . . . 0.453 HG21 ' HE1' ' A' ' 53' ' ' TYR . 28.7 m 67.25 -68.57 0.15 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.495 1.122 . . . . 0.0 110.362 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 39' ' ' THR . . . . . 0.486 ' O ' ' HB2' ' A' ' 40' ' ' ALA . 51.2 p -130.21 -78.66 0.54 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.528 1.143 . . . . 0.0 110.368 -179.959 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.486 ' HB2' ' O ' ' A' ' 39' ' ' THR . . . 176.49 -37.37 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.509 1.131 . . . . 0.0 109.263 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 22.7 m-20 -91.34 -18.01 24.97 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.475 1.11 . . . . 0.0 109.282 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 94.3 m95 -130.78 123.04 28.29 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.502 1.126 . . . . 0.0 108.012 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 45.6 m0 -112.38 163.65 14.18 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.507 1.129 . . . . 0.0 107.974 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 44' ' ' TRP . . . . . 0.405 ' CE3' ' CD2' ' A' ' 53' ' ' TYR . 67.5 t-105 -112.66 115.0 27.87 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 107.969 -1.123 . . . . 0.0 107.969 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -113.19 -179.24 19.4 Favored Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.529 1.143 . . . . 0.0 110.982 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.443 ' CB ' HD21 ' A' ' 35' ' ' LEU . 40.5 tt0 -140.56 120.73 13.82 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.509 0.77 . . . . 0.0 110.277 -179.959 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 47' ' ' ARG . . . . . 0.902 ' CG ' HD13 ' A' ' 24' ' ' LEU . 0.0 OUTLIER -92.14 -174.43 3.75 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.464 1.103 . . . . 0.0 110.282 -179.988 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -62.02 102.97 0.32 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.446 1.091 . . . . 0.0 109.278 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 62.42 8.16 17.9 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.53 1.144 . . . . 0.0 110.991 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 1.3 m -115.07 161.63 18.11 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 108.326 -0.991 . . . . 0.0 108.326 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 12.8 p -148.5 111.53 4.87 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.479 1.112 . . . . 0.0 108.317 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -148.58 -176.97 22.44 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.487 1.117 . . . . 0.0 111.009 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 53' ' ' TYR . . . . . 0.453 ' HE1' HG21 ' A' ' 38' ' ' THR . 11.3 m-85 -91.1 162.5 14.65 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.536 0.786 . . . . 0.0 110.998 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 54' ' ' ILE . . . . . 0.523 ' CD1' ' CD1' ' A' ' 34' ' ' ILE . 4.0 pt -145.83 149.65 40.25 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.518 1.136 . . . . 0.0 109.306 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 155.69 42.99 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.524 1.802 . . . . 0.0 110.988 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 56' ' ' ALA . . . . . 0.429 ' CB ' ' O ' ' A' ' 40' ' ' ALA . . . -100.63 80.78 2.23 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.129 . . . . 0.0 109.303 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 14.3 t-20 173.56 -47.61 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.497 1.123 . . . . 0.0 109.312 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 1.7 m-70 -58.18 -19.91 36.95 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.445 1.091 . . . . 0.0 109.597 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 7.7 m -115.13 144.79 21.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.426 1.079 . . . . 0.0 109.297 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -170.34 111.96 0.44 Allowed Glycine 0 CA--C 1.529 0.943 0 O-C-N 124.505 1.128 . . . . 0.0 111.002 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -116.61 97.9 6.25 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.467 0.746 . . . . 0.0 109.276 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -118.78 113.95 21.92 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.517 1.136 . . . . 0.0 109.621 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -58.05 95.87 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.473 1.108 . . . . 0.0 109.953 -179.95 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -161.82 156.87 28.52 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.527 1.142 . . . . 0.0 111.043 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 115.12 4.18 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.485 1.781 . . . . 0.0 111.002 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 16.8 m -152.84 -68.22 0.16 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.483 1.115 . . . . 0.0 110.033 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 90.1 p -74.05 90.03 1.97 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.489 1.118 . . . . 0.0 110.013 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.991 0 O-C-N 124.486 1.116 . . . . 0.0 111.032 179.97 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.948 0 N-CA-C 111.041 -0.824 . . . . 0.0 111.041 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 74.3 m -111.45 100.98 9.45 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.449 0.734 . . . . 0.0 109.997 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -162.37 -58.22 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.485 1.116 . . . . 0.0 110.021 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 136.28 63.14 0.06 OUTLIER Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.49 1.118 . . . . 0.0 111.027 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.1 t -106.39 148.8 27.67 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.47 0.747 . . . . 0.0 110.0 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 38.2 m -116.64 104.8 11.74 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.48 1.112 . . . . 0.0 109.98 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.434 ' HA3' ' CD1' ' A' ' 33' ' ' LEU . . . -179.07 165.47 34.4 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.51 1.131 . . . . 0.0 111.012 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 8' ' ' GLU . . . . . 0.421 ' O ' HD13 ' A' ' 33' ' ' LEU . 0.1 OUTLIER -110.14 117.22 33.13 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.467 0.745 . . . . 0.0 110.316 179.992 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 9' ' ' GLU . . . . . 0.502 ' HA ' HD22 ' A' ' 33' ' ' LEU . 0.4 OUTLIER -80.28 133.47 35.97 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.442 1.089 . . . . 0.0 110.298 -179.966 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 7.3 m-85 -140.14 161.37 37.79 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.526 1.141 . . . . 0.0 111.034 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.631 HG22 ' O ' ' A' ' 29' ' ' GLY . 2.0 t -120.27 139.15 48.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.52 1.138 . . . . 0.0 109.306 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -74.57 121.34 21.42 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.511 1.132 . . . . 0.0 109.261 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.41 ' CG1' ' O ' ' A' ' 58' ' ' HIS . 3.1 pt -80.24 1.67 2.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.465 1.103 . . . . 0.0 109.296 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -171.99 155.73 3.87 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.45 1.094 . . . . 0.0 109.286 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 6.5 p-10 -75.3 135.23 40.92 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.515 1.135 . . . . 0.0 109.287 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' TYR . . . . . 0.44 ' OH ' ' NE2' ' A' ' 23' ' ' GLN . 61.2 t80 -126.6 163.57 23.15 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.513 1.133 . . . . 0.0 110.999 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.407 ' N ' ' CG ' ' A' ' 16' ' ' TYR . . . -141.15 112.92 7.68 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.445 1.09 . . . . 0.0 109.334 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.547 ' HB1' ' HB2' ' A' ' 23' ' ' GLN . . . -53.05 133.22 38.71 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.548 1.155 . . . . 0.0 109.298 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 15.9 p -100.22 -16.79 17.63 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.559 1.162 . . . . 0.0 110.36 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -120.05 177.61 4.93 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.49 1.119 . . . . 0.0 109.269 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 9.0 pt-20 -93.55 17.19 12.04 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.435 1.084 . . . . 0.0 110.301 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 60.1 p -129.54 21.1 5.59 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.522 1.139 . . . . 0.0 110.416 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' GLN . . . . . 0.547 ' HB2' ' HB1' ' A' ' 18' ' ' ALA . 60.8 mt-30 -122.4 170.04 10.36 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.565 1.166 . . . . 0.0 110.334 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.583 HD13 ' CG ' ' A' ' 47' ' ' ARG . 43.5 mt -120.34 144.54 47.8 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.516 1.135 . . . . 0.0 109.294 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 6.6 m -112.19 136.63 51.36 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.529 1.143 . . . . 0.0 110.022 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 26' ' ' PHE . . . . . 0.53 ' CB ' HD11 ' A' ' 32' ' ' ILE . 1.9 p90 -148.12 176.89 9.84 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.499 1.125 . . . . 0.0 110.969 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.684 HD12 ' N ' ' A' ' 28' ' ' ARG . 0.1 OUTLIER -120.26 150.51 40.58 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.511 1.132 . . . . 0.0 109.308 -179.993 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 28' ' ' ARG . . . . . 0.684 ' N ' HD12 ' A' ' 27' ' ' LEU . 65.8 ttt180 -46.94 108.72 0.15 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.496 1.123 . . . . 0.0 110.275 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 29' ' ' GLY . . . . . 0.631 ' O ' HG22 ' A' ' 11' ' ' VAL . . . 121.38 -39.8 2.28 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.461 1.1 . . . . 0.0 110.991 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -39.69 132.54 1.64 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.481 0.753 . . . . 0.0 110.335 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.91 104.04 8.23 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.474 1.109 . . . . 0.0 109.304 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.53 HD11 ' CB ' ' A' ' 26' ' ' PHE . 4.6 mm -99.71 138.02 25.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.49 1.119 . . . . 0.0 109.293 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.502 HD22 ' HA ' ' A' ' 9' ' ' GLU . 0.2 OUTLIER -98.54 136.24 38.92 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.448 1.093 . . . . 0.0 109.3 -179.998 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.564 HD13 HD11 ' A' ' 54' ' ' ILE . 42.4 mm -109.05 79.03 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.489 1.118 . . . . 0.0 109.35 179.948 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 5.7 mp -46.63 -66.84 0.34 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.47 1.106 . . . . 0.0 109.276 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 4.7 mtp85 -137.87 179.0 6.69 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.458 1.099 . . . . 0.0 110.343 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 92.9 mt-30 -124.6 107.47 11.05 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.474 1.109 . . . . 0.0 110.324 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 6.4 m -41.96 -57.22 2.5 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.521 1.138 . . . . 0.0 110.379 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 39' ' ' THR . . . . . 0.525 ' O ' ' HB2' ' A' ' 40' ' ' ALA . 81.6 p -144.29 -52.48 0.31 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.537 1.148 . . . . 0.0 110.418 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.525 ' HB2' ' O ' ' A' ' 39' ' ' THR . . . 174.28 -35.43 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.547 1.154 . . . . 0.0 109.333 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -87.52 -42.13 12.98 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.555 1.159 . . . . 0.0 109.275 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 93.6 m95 -105.66 125.91 51.53 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.519 1.137 . . . . 0.0 108.027 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 47.2 m0 -114.23 152.64 30.97 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.519 1.137 . . . . 0.0 108.008 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 71.2 t-105 -99.89 105.04 16.73 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.55 1.156 . . . . 0.0 108.006 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 45' ' ' GLY . . . . . 0.406 ' HA3' ' CD1' ' A' ' 54' ' ' ILE . . . -100.96 -177.5 29.27 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.513 1.133 . . . . 0.0 110.97 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 22.3 tt0 -150.81 120.44 6.98 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.498 0.763 . . . . 0.0 110.326 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 47' ' ' ARG . . . . . 0.583 ' CG ' HD13 ' A' ' 24' ' ' LEU . 0.2 OUTLIER -92.69 -174.14 3.55 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.51 1.131 . . . . 0.0 110.31 -179.996 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -60.14 103.45 0.23 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.553 1.158 . . . . 0.0 109.289 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 62.91 7.64 17.64 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.472 1.107 . . . . 0.0 110.974 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 50' ' ' CYS . . . . . 0.441 ' C ' ' HG ' ' A' ' 51' ' ' CYS . 1.0 OUTLIER -114.97 160.35 19.67 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 108.328 -0.99 . . . . 0.0 108.328 179.989 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 51' ' ' CYS . . . . . 0.441 ' HG ' ' C ' ' A' ' 50' ' ' CYS . 5.6 m -148.63 113.02 5.28 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.431 1.082 . . . . 0.0 108.313 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -148.23 -177.03 22.21 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.514 1.134 . . . . 0.0 110.955 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 26.6 m-85 -91.13 159.8 15.9 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.485 0.756 . . . . 0.0 111.051 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 54' ' ' ILE . . . . . 0.564 HD11 HD13 ' A' ' 34' ' ' ILE . 3.3 pt -146.61 147.44 30.37 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.456 1.097 . . . . 0.0 109.331 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 55' ' ' PRO . . . . . 0.411 ' HD3' ' HA ' ' A' ' 54' ' ' ILE . 18.3 Cg_endo -75.03 164.04 34.07 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.464 1.77 . . . . 0.0 110.977 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -110.62 84.51 1.94 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.528 1.143 . . . . 0.0 109.315 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 2.6 t30 174.91 -38.96 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.521 1.138 . . . . 0.0 109.293 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 58' ' ' HIS . . . . . 0.41 ' O ' ' CG1' ' A' ' 13' ' ' ILE . 1.8 m-70 -70.2 -32.4 70.29 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.502 1.127 . . . . 0.0 109.583 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 19.5 m -104.68 157.57 5.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.518 1.137 . . . . 0.0 109.287 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 41.07 -121.56 2.08 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.435 1.085 . . . . 0.0 111.012 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 10.9 tptt 51.47 68.79 0.74 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.529 0.782 . . . . 0.0 109.288 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER 65.63 81.3 0.21 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.502 1.126 . . . . 0.0 109.565 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 9.5 m -70.41 95.73 1.07 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.46 1.1 . . . . 0.0 109.988 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -77.66 113.96 3.87 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.483 1.114 . . . . 0.0 110.961 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 74.22 4.09 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.49 1.784 . . . . 0.0 110.982 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 48.4 m -140.4 158.36 44.13 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.506 1.129 . . . . 0.0 109.993 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 65.2 m 63.38 144.75 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.524 1.14 . . . . 0.0 110.035 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.962 0 O-C-N 124.511 1.132 . . . . 0.0 111.052 -179.964 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.989 0 N-CA-C 111.002 -0.839 . . . . 0.0 111.002 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -51.36 119.0 3.65 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.539 0.788 . . . . 0.0 110.042 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -138.41 -59.2 0.63 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.454 1.096 . . . . 0.0 110.0 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 146.96 -93.85 0.16 Allowed Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.504 1.127 . . . . 0.0 111.019 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -43.97 112.95 0.45 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.514 0.773 . . . . 0.0 109.984 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 8.1 t -132.13 155.12 48.73 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.441 1.088 . . . . 0.0 109.98 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.466 ' HA3' ' CD1' ' A' ' 33' ' ' LEU . . . 179.94 -163.94 31.42 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.436 1.085 . . . . 0.0 111.009 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -116.48 104.09 11.09 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.526 0.78 . . . . 0.0 110.35 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 9' ' ' GLU . . . . . 0.437 ' HG2' HD22 ' A' ' 33' ' ' LEU . 0.7 OUTLIER -74.68 123.2 24.46 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.495 1.122 . . . . 0.0 110.296 -179.953 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 10' ' ' PHE . . . . . 0.405 ' O ' ' N ' ' A' ' 32' ' ' ILE . 7.6 m-85 -132.86 158.12 43.32 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.478 1.111 . . . . 0.0 110.981 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.618 HG22 ' O ' ' A' ' 29' ' ' GLY . 1.6 t -117.29 142.42 31.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.489 1.118 . . . . 0.0 109.318 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -72.28 118.7 15.49 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.518 1.136 . . . . 0.0 109.258 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.413 ' N ' ' O ' ' A' ' 58' ' ' HIS . 1.5 pt -61.9 -14.5 11.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.547 1.154 . . . . 0.0 109.314 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.444 ' HA ' ' CG ' ' A' ' 28' ' ' ARG . . . -166.39 179.75 5.42 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.469 1.105 . . . . 0.0 109.295 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 1.3 p30 -87.0 129.49 34.86 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.456 1.098 . . . . 0.0 109.331 179.936 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' TYR . . . . . 0.501 ' CG ' ' N ' ' A' ' 17' ' ' ALA . 77.9 t80 -122.13 170.83 9.48 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.481 1.113 . . . . 0.0 111.004 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.501 ' N ' ' CG ' ' A' ' 16' ' ' TYR . . . -139.31 146.63 40.55 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.438 1.086 . . . . 0.0 109.295 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -89.69 121.83 32.23 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.504 1.128 . . . . 0.0 109.31 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 15.2 p -115.75 7.3 14.61 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.487 1.117 . . . . 0.0 110.411 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -123.04 -178.65 4.02 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.548 1.155 . . . . 0.0 109.273 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -103.76 14.99 29.82 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.524 1.14 . . . . 0.0 110.271 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 22.6 p -147.41 38.54 0.95 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.526 1.141 . . . . 0.0 110.405 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 86.0 mt-30 -131.42 164.88 24.75 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.469 1.105 . . . . 0.0 110.326 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.674 HD13 ' CG ' ' A' ' 47' ' ' ARG . 49.7 mt -117.84 142.93 46.76 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.486 1.116 . . . . 0.0 109.326 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 12.2 p -109.54 128.97 55.58 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.52 1.137 . . . . 0.0 109.981 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' PHE . . . . . 0.464 ' CE1' ' HB3' ' A' ' 16' ' ' TYR . 1.8 p90 -138.69 178.77 6.91 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.532 1.145 . . . . 0.0 110.99 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.606 HD12 ' N ' ' A' ' 28' ' ' ARG . 0.1 OUTLIER -123.21 145.12 48.91 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.484 1.115 . . . . 0.0 109.3 -179.981 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 28' ' ' ARG . . . . . 0.606 ' N ' HD12 ' A' ' 27' ' ' LEU . 5.2 ttt85 -43.81 107.74 0.09 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.458 1.099 . . . . 0.0 110.324 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 29' ' ' GLY . . . . . 0.618 ' O ' HG22 ' A' ' 11' ' ' VAL . . . 123.25 -35.98 3.19 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.518 1.136 . . . . 0.0 110.982 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -43.97 132.87 5.24 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.48 0.753 . . . . 0.0 110.307 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.06 103.98 11.24 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.514 1.134 . . . . 0.0 109.315 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.405 ' N ' ' O ' ' A' ' 10' ' ' PHE . 4.3 mm -94.75 128.73 45.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.487 1.117 . . . . 0.0 109.271 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.466 ' CD1' ' HA3' ' A' ' 7' ' ' GLY . 0.2 OUTLIER -90.25 117.91 29.36 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.517 1.136 . . . . 0.0 109.303 179.954 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.581 HD12 HD11 ' A' ' 54' ' ' ILE . 13.3 mm -93.37 105.5 16.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.522 1.139 . . . . 0.0 109.293 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.431 ' N ' HD22 ' A' ' 35' ' ' LEU . 2.5 mm? -79.13 -65.22 1.03 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.459 1.1 . . . . 0.0 109.323 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 7.1 ttt180 -126.81 141.45 51.82 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.486 1.117 . . . . 0.0 110.311 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 37' ' ' GLN . . . . . 0.44 ' O ' ' N ' ' A' ' 39' ' ' THR . 80.4 mt-30 -79.67 -15.58 57.31 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.448 1.093 . . . . 0.0 110.329 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 38' ' ' THR . . . . . 0.82 HG22 HG23 ' A' ' 39' ' ' THR . 72.3 m 63.89 -76.78 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.523 1.139 . . . . 0.0 110.382 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 39' ' ' THR . . . . . 0.82 HG23 HG22 ' A' ' 38' ' ' THR . 72.6 p -123.77 -69.56 0.81 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.506 1.128 . . . . 0.0 110.393 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.587 ' HB2' ' O ' ' A' ' 39' ' ' THR . . . 170.4 -33.53 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.461 1.101 . . . . 0.0 109.31 -179.935 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 1.5 t0 -88.54 -28.19 20.93 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.509 1.131 . . . . 0.0 109.256 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 42' ' ' TRP . . . . . 0.402 ' O ' ' O ' ' A' ' 37' ' ' GLN . 88.7 m95 -124.95 128.23 48.27 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.507 1.129 . . . . 0.0 107.981 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 43' ' ' TRP . . . . . 0.405 ' O ' ' N ' ' A' ' 54' ' ' ILE . 46.9 m0 -112.87 156.64 22.58 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 108.007 -1.109 . . . . 0.0 108.007 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 44' ' ' TRP . . . . . 0.433 ' CE3' ' CD2' ' A' ' 53' ' ' TYR . 63.7 t-105 -109.22 117.29 33.74 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.501 1.126 . . . . 0.0 107.983 -179.95 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -115.24 -178.25 18.66 Favored Glycine 0 CA--C 1.529 0.935 0 O-C-N 124.48 1.113 . . . . 0.0 111.034 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.4 ' CB ' HD21 ' A' ' 35' ' ' LEU . 45.5 tt0 -141.16 120.65 13.21 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.46 0.741 . . . . 0.0 110.28 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 47' ' ' ARG . . . . . 0.674 ' CG ' HD13 ' A' ' 24' ' ' LEU . 0.4 OUTLIER -92.3 -173.69 3.49 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.464 1.102 . . . . 0.0 110.293 179.969 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -62.99 103.03 0.41 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.479 1.112 . . . . 0.0 109.281 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 62.28 8.47 18.61 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.483 1.114 . . . . 0.0 111.041 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 1.1 m -115.03 161.3 18.53 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 108.314 -0.995 . . . . 0.0 108.314 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 12.5 p -148.53 111.59 4.88 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.488 1.117 . . . . 0.0 108.32 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -148.59 -176.9 22.39 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.507 1.129 . . . . 0.0 110.992 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 53' ' ' TYR . . . . . 0.606 ' O ' HG23 ' A' ' 54' ' ' ILE . 4.1 m-85 -91.53 173.96 7.62 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.49 0.759 . . . . 0.0 111.018 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 54' ' ' ILE . . . . . 0.606 HG23 ' O ' ' A' ' 53' ' ' TYR . 7.4 pt -156.76 148.04 16.79 Favored Pre-proline 0 C--N 1.324 -0.515 0 O-C-N 124.463 1.102 . . . . 0.0 109.324 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 55' ' ' PRO . . . . . 0.412 ' HD3' ' HA ' ' A' ' 54' ' ' ILE . 18.1 Cg_endo -75.01 155.19 42.87 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.473 1.775 . . . . 0.0 110.97 -179.948 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -99.38 78.32 2.19 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.532 1.145 . . . . 0.0 109.326 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 44.2 t-20 177.38 -41.86 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.505 1.128 . . . . 0.0 109.28 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 58' ' ' HIS . . . . . 0.413 ' O ' ' N ' ' A' ' 13' ' ' ILE . 10.2 m-70 -64.23 -19.84 65.64 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.564 1.165 . . . . 0.0 109.614 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 10.0 m -116.97 146.31 21.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.517 1.136 . . . . 0.0 109.29 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -178.68 107.25 0.22 Allowed Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.496 1.123 . . . . 0.0 110.999 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 7.6 tptp -71.61 92.07 1.13 Allowed 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.532 0.784 . . . . 0.0 109.282 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 7.6 m-70 -145.07 84.51 1.71 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.491 1.119 . . . . 0.0 109.593 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 52.44 174.68 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.496 1.122 . . . . 0.0 110.026 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 155.63 -86.52 0.13 Allowed Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.54 1.15 . . . . 0.0 110.972 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 143.24 28.91 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.451 1.763 . . . . 0.0 111.03 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 96.3 p -116.67 71.77 0.8 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.514 1.133 . . . . 0.0 109.965 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 18.1 p -143.96 118.54 9.76 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.513 1.133 . . . . 0.0 110.008 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.015 0 O-C-N 124.492 1.12 . . . . 0.0 110.98 -179.984 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.025 0 N-CA-C 110.958 -0.857 . . . . 0.0 110.958 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -165.0 -57.78 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.532 0.784 . . . . 0.0 110.037 179.939 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 5.3 t -163.56 -59.23 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.492 1.12 . . . . 0.0 109.983 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 131.51 -164.27 23.53 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.506 1.129 . . . . 0.0 110.963 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 60.1 p -82.38 124.72 30.28 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.508 0.769 . . . . 0.0 109.983 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -46.19 -56.37 5.79 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.478 1.112 . . . . 0.0 109.998 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.483 ' HA3' ' CD1' ' A' ' 33' ' ' LEU . . . 163.1 175.37 34.05 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.495 1.122 . . . . 0.0 111.022 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -123.43 107.18 11.31 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.485 0.756 . . . . 0.0 110.3 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 9' ' ' GLU . . . . . 0.455 ' HG3' ' CD2' ' A' ' 33' ' ' LEU . 0.3 OUTLIER -72.35 122.34 21.01 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.491 1.119 . . . . 0.0 110.279 179.973 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 10' ' ' PHE . . . . . 0.599 ' CD2' ' O ' ' A' ' 60' ' ' GLY . 5.6 m-85 -128.6 169.94 13.82 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.467 1.104 . . . . 0.0 110.999 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.468 ' CG2' ' HE2' ' A' ' 31' ' ' LYS . 1.9 t -127.2 137.47 57.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.494 1.121 . . . . 0.0 109.295 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 12' ' ' ALA . . . . . 0.407 ' O ' ' HA ' ' A' ' 28' ' ' ARG . . . -71.09 118.34 13.74 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.5 1.125 . . . . 0.0 109.266 -179.946 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.422 ' CG1' ' O ' ' A' ' 58' ' ' HIS . 2.6 pt -71.27 -12.7 16.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.512 1.132 . . . . 0.0 109.313 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -169.74 145.59 3.08 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.516 1.135 . . . . 0.0 109.303 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 2.5 p-10 -55.63 141.27 38.32 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.542 1.151 . . . . 0.0 109.285 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 43.2 t80 -129.94 158.4 39.63 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.472 1.107 . . . . 0.0 111.016 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -132.19 114.5 14.55 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.505 1.128 . . . . 0.0 109.281 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.69 ' HB1' ' HB2' ' A' ' 23' ' ' GLN . . . -53.89 127.22 25.28 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.457 1.098 . . . . 0.0 109.32 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -83.14 -19.34 36.85 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.458 1.099 . . . . 0.0 110.368 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -126.95 178.86 5.71 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.462 1.101 . . . . 0.0 109.34 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 4.8 pt-20 -92.36 15.76 13.19 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.492 1.12 . . . . 0.0 110.302 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 70.5 p -121.81 10.36 10.24 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.506 1.129 . . . . 0.0 110.381 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' GLN . . . . . 0.69 ' HB2' ' HB1' ' A' ' 18' ' ' ALA . 70.6 mt-30 -111.85 160.92 16.91 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.516 1.135 . . . . 0.0 110.3 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.555 HD13 ' CG ' ' A' ' 47' ' ' ARG . 32.2 mt -104.75 142.41 34.76 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.526 1.141 . . . . 0.0 109.311 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 13.1 p -114.58 133.94 55.43 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.561 1.163 . . . . 0.0 110.021 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' PHE . . . . . 0.552 ' CB ' HD11 ' A' ' 32' ' ' ILE . 2.9 p90 -144.26 -178.92 6.2 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.526 1.141 . . . . 0.0 110.962 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.581 HD12 ' N ' ' A' ' 28' ' ' ARG . 0.1 OUTLIER -123.66 143.96 49.93 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.494 1.121 . . . . 0.0 109.296 -179.996 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 28' ' ' ARG . . . . . 0.581 ' N ' HD12 ' A' ' 27' ' ' LEU . 7.6 ttt180 -42.15 114.7 0.58 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.509 1.13 . . . . 0.0 110.266 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 116.54 -32.21 5.64 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.47 1.106 . . . . 0.0 111.009 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -48.97 133.15 18.41 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.48 0.753 . . . . 0.0 110.303 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.468 ' HE2' ' CG2' ' A' ' 11' ' ' VAL . 9.6 mmtp -76.91 98.61 4.95 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.505 1.128 . . . . 0.0 109.28 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.552 HD11 ' CB ' ' A' ' 26' ' ' PHE . 5.8 mm -91.89 130.82 40.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.464 1.103 . . . . 0.0 109.296 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.483 ' CD1' ' HA3' ' A' ' 7' ' ' GLY . 0.2 OUTLIER -92.63 127.34 38.09 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.517 1.136 . . . . 0.0 109.321 -179.998 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.6 ' CD1' HD11 ' A' ' 54' ' ' ILE . 41.9 mm -100.72 80.35 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.448 1.093 . . . . 0.0 109.306 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.46 ' CD2' ' HB2' ' A' ' 46' ' ' GLU . 5.1 mp -48.13 -67.27 0.29 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.523 1.14 . . . . 0.0 109.297 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 7.5 mmm180 -137.28 174.5 10.54 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.454 1.096 . . . . 0.0 110.325 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 37' ' ' GLN . . . . . 0.407 ' O ' ' C ' ' A' ' 38' ' ' THR . 15.6 mt-30 -128.44 65.79 1.4 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.562 1.164 . . . . 0.0 110.316 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 38' ' ' THR . . . . . 0.44 HG22 HG23 ' A' ' 39' ' ' THR . 19.6 m -38.44 -40.03 0.52 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.464 1.102 . . . . 0.0 110.436 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 39' ' ' THR . . . . . 0.44 HG23 HG22 ' A' ' 38' ' ' THR . 44.7 p -139.52 -178.41 5.38 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.5 1.125 . . . . 0.0 110.394 179.95 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -98.64 5.1 47.98 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.536 1.148 . . . . 0.0 109.271 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -118.27 -40.17 2.97 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.511 1.132 . . . . 0.0 109.298 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 42' ' ' TRP . . . . . 0.427 ' CH2' ' NE2' ' A' ' 23' ' ' GLN . 93.5 m95 -120.05 126.76 51.57 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.537 1.148 . . . . 0.0 107.962 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 45.9 m0 -110.74 153.79 24.8 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.55 1.156 . . . . 0.0 108.008 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 72.6 t-105 -100.06 105.7 17.38 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.502 1.126 . . . . 0.0 108.01 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -102.83 -165.38 26.04 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.46 1.1 . . . . 0.0 111.009 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.46 ' HB2' ' CD2' ' A' ' 35' ' ' LEU . 19.9 tt0 -162.31 120.71 2.21 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.53 0.782 . . . . 0.0 110.258 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 47' ' ' ARG . . . . . 0.555 ' CG ' HD13 ' A' ' 24' ' ' LEU . 2.4 mmm180 -92.91 -173.86 3.42 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.484 1.115 . . . . 0.0 110.252 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -60.38 103.5 0.24 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.55 1.156 . . . . 0.0 109.284 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 62.9 7.83 18.7 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.538 1.148 . . . . 0.0 111.055 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 50' ' ' CYS . . . . . 0.439 ' C ' ' HG ' ' A' ' 51' ' ' CYS . 1.2 m -114.86 158.42 21.96 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 108.328 -0.99 . . . . 0.0 108.328 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 51' ' ' CYS . . . . . 0.439 ' HG ' ' C ' ' A' ' 50' ' ' CYS . 4.0 m -148.37 112.8 5.29 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.474 1.109 . . . . 0.0 108.354 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -148.42 -177.95 23.13 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.486 1.116 . . . . 0.0 110.964 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 2.5 m-85 -91.68 143.51 26.47 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.462 0.743 . . . . 0.0 111.016 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 54' ' ' ILE . . . . . 0.6 HD11 ' CD1' ' A' ' 34' ' ' ILE . 3.5 pt -126.17 150.56 70.07 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.475 1.11 . . . . 0.0 109.321 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 55' ' ' PRO . . . . . 0.404 ' HD3' ' HA ' ' A' ' 54' ' ' ILE . 18.1 Cg_endo -75.07 165.48 31.12 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.545 1.813 . . . . 0.0 110.943 -179.953 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -113.45 81.01 1.44 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.515 1.134 . . . . 0.0 109.331 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 57' ' ' ASN . . . . . 0.422 ' O ' HD11 ' A' ' 13' ' ' ILE . 23.9 t-20 176.66 -40.45 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.514 1.134 . . . . 0.0 109.326 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 58' ' ' HIS . . . . . 0.422 ' O ' ' CG1' ' A' ' 13' ' ' ILE . 44.0 m-70 -68.15 -23.19 64.85 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.506 1.129 . . . . 0.0 109.608 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 13.8 m -114.1 151.99 15.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.529 1.143 . . . . 0.0 109.286 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 60' ' ' GLY . . . . . 0.599 ' O ' ' CD2' ' A' ' 10' ' ' PHE . . . -158.26 -123.18 0.72 Allowed Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.508 1.13 . . . . 0.0 111.014 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 61' ' ' LYS . . . . . 0.431 ' N ' ' HD3' ' A' ' 61' ' ' LYS . 0.3 OUTLIER -170.11 140.33 1.95 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.499 0.764 . . . . 0.0 109.267 -179.992 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -168.68 124.6 0.96 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.495 1.122 . . . . 0.0 109.591 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 26.0 t -99.72 144.65 28.55 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.508 1.13 . . . . 0.0 110.007 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -136.93 -175.89 14.05 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.471 1.107 . . . . 0.0 110.984 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 109.12 2.87 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.485 1.782 . . . . 0.0 110.997 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 52.6 p -66.43 164.81 15.53 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.509 1.131 . . . . 0.0 110.038 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 60.5 p -119.24 106.38 12.28 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.511 1.132 . . . . 0.0 110.011 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.022 0 O-C-N 124.507 1.129 . . . . 0.0 110.989 179.975 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.959 0 N-CA-C 110.987 -0.845 . . . . 0.0 110.987 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 179.44 88.1 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.482 0.754 . . . . 0.0 109.981 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 70.4 m -157.3 109.09 2.37 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.495 1.122 . . . . 0.0 110.019 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -166.0 -87.48 0.07 OUTLIER Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.468 1.105 . . . . 0.0 111.038 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 85.6 p -90.6 112.83 24.69 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.469 0.746 . . . . 0.0 110.016 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 7.9 t -93.43 84.46 4.73 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.485 1.116 . . . . 0.0 110.025 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.469 ' HA3' ' CD1' ' A' ' 33' ' ' LEU . . . 134.52 -178.21 18.62 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.486 1.116 . . . . 0.0 111.041 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -114.24 127.42 55.87 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.508 0.769 . . . . 0.0 110.288 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' GLU . . . . . 0.494 ' HG3' HD22 ' A' ' 33' ' ' LEU . 0.2 OUTLIER -89.47 107.66 19.2 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.521 1.138 . . . . 0.0 110.321 179.99 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 12.0 m-85 -106.88 160.44 15.51 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.508 1.13 . . . . 0.0 111.01 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.603 HG13 ' HA2' ' A' ' 29' ' ' GLY . 2.3 t -115.09 134.6 57.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.52 1.138 . . . . 0.0 109.278 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -71.67 117.93 13.86 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.535 1.147 . . . . 0.0 109.249 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.421 ' N ' ' O ' ' A' ' 58' ' ' HIS . 2.4 pt -60.26 -16.25 11.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.494 1.121 . . . . 0.0 109.259 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -172.57 156.58 3.66 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.469 1.106 . . . . 0.0 109.295 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -61.27 147.9 42.92 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.505 1.128 . . . . 0.0 109.296 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' TYR . . . . . 0.571 ' CD1' ' NE2' ' A' ' 58' ' ' HIS . 27.5 t80 -133.38 153.25 51.76 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.465 1.103 . . . . 0.0 111.015 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -126.22 109.71 12.62 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.455 1.097 . . . . 0.0 109.309 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.494 ' HB1' ' HB2' ' A' ' 23' ' ' GLN . . . -61.16 124.44 20.55 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.472 1.107 . . . . 0.0 109.261 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 71.7 p -85.45 -22.8 28.12 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.49 1.119 . . . . 0.0 110.429 179.945 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -118.39 -178.04 3.43 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.555 1.159 . . . . 0.0 109.326 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -97.54 16.47 20.26 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.482 1.113 . . . . 0.0 110.297 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 81.0 p -116.82 -5.68 11.53 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 0.0 110.422 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 23' ' ' GLN . . . . . 0.494 ' HB2' ' HB1' ' A' ' 18' ' ' ALA . 78.0 mt-30 -102.72 154.16 19.44 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.466 1.104 . . . . 0.0 110.31 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.649 HD13 ' CG ' ' A' ' 47' ' ' ARG . 18.2 mt -104.16 137.15 42.51 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.5 1.125 . . . . 0.0 109.292 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 13.1 p -105.12 137.44 42.88 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 0.0 109.98 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 26' ' ' PHE . . . . . 0.48 ' CB ' HD11 ' A' ' 32' ' ' ILE . 1.4 p90 -147.54 174.24 11.92 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.527 1.142 . . . . 0.0 110.997 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.677 HD12 ' N ' ' A' ' 28' ' ' ARG . 0.1 OUTLIER -114.44 144.16 43.77 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.503 1.127 . . . . 0.0 109.292 -179.986 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 28' ' ' ARG . . . . . 0.677 ' N ' HD12 ' A' ' 27' ' ' LEU . 6.9 ttp180 -42.32 119.58 1.42 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.452 1.095 . . . . 0.0 110.311 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 29' ' ' GLY . . . . . 0.603 ' HA2' HG13 ' A' ' 11' ' ' VAL . . . 107.88 -33.64 6.16 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.521 1.138 . . . . 0.0 111.033 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 4.9 mt-10 -42.55 131.36 3.87 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.491 0.759 . . . . 0.0 110.284 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.46 ' HE2' ' CG2' ' A' ' 11' ' ' VAL . 0.0 OUTLIER -78.54 104.29 9.05 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.541 1.151 . . . . 0.0 109.267 -179.988 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.48 HD11 ' CB ' ' A' ' 26' ' ' PHE . 5.0 mm -95.46 134.57 32.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.527 1.142 . . . . 0.0 109.297 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.494 HD22 ' HG3' ' A' ' 9' ' ' GLU . 0.1 OUTLIER -92.43 130.63 38.05 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.484 1.115 . . . . 0.0 109.323 179.963 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.611 ' CD1' HD11 ' A' ' 54' ' ' ILE . 18.2 mm -107.42 96.59 4.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.56 1.163 . . . . 0.0 109.273 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.805 HD21 ' HB3' ' A' ' 46' ' ' GLU . 0.9 OUTLIER -69.31 -65.32 0.73 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.444 1.09 . . . . 0.0 109.299 179.998 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -133.22 -177.54 4.57 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.522 1.139 . . . . 0.0 110.292 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 37' ' ' GLN . . . . . 0.401 ' O ' ' C ' ' A' ' 38' ' ' THR . 78.4 mt-30 -131.02 105.49 7.77 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.473 1.108 . . . . 0.0 110.306 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 38' ' ' THR . . . . . 0.401 ' C ' ' O ' ' A' ' 37' ' ' GLN . 18.9 m -38.59 -66.26 0.29 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.533 1.145 . . . . 0.0 110.43 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 39' ' ' THR . . . . . 0.515 ' O ' ' HB2' ' A' ' 40' ' ' ALA . 60.6 p -134.05 -51.82 0.84 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.507 1.129 . . . . 0.0 110.442 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.515 ' HB2' ' O ' ' A' ' 39' ' ' THR . . . 174.69 -35.56 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.454 1.096 . . . . 0.0 109.33 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -90.44 -33.99 15.78 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.543 1.152 . . . . 0.0 109.296 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 97.3 m95 -108.51 123.55 49.07 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 107.949 -1.13 . . . . 0.0 107.949 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 46.4 m0 -114.13 150.86 33.48 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.496 1.122 . . . . 0.0 108.012 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 73.0 t-105 -100.2 105.83 17.46 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.47 1.106 . . . . 0.0 108.041 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 45' ' ' GLY . . . . . 0.485 ' C ' ' CD2' ' A' ' 35' ' ' LEU . . . -102.44 -165.14 26.41 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.479 1.112 . . . . 0.0 110.943 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.805 ' HB3' HD21 ' A' ' 35' ' ' LEU . 4.4 tt0 -156.95 120.64 4.22 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.472 0.748 . . . . 0.0 110.258 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 47' ' ' ARG . . . . . 0.649 ' CG ' HD13 ' A' ' 24' ' ' LEU . 0.9 OUTLIER -90.89 -173.11 3.58 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.514 1.133 . . . . 0.0 110.288 179.976 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -60.83 102.3 0.19 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.538 1.149 . . . . 0.0 109.327 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 61.94 9.74 22.46 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.512 1.133 . . . . 0.0 110.956 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 1.3 m -115.02 164.5 14.07 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 108.314 -0.995 . . . . 0.0 108.314 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 7.5 m -148.91 112.28 4.98 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.531 1.145 . . . . 0.0 108.304 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -148.52 -176.84 22.28 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.472 1.107 . . . . 0.0 110.976 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 53' ' ' TYR . . . . . 0.628 ' O ' HG23 ' A' ' 54' ' ' ILE . 30.3 m-85 -87.44 169.68 12.02 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.506 0.768 . . . . 0.0 111.005 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 54' ' ' ILE . . . . . 0.628 HG23 ' O ' ' A' ' 53' ' ' TYR . 3.6 pt -158.11 147.39 14.84 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.487 1.117 . . . . 0.0 109.314 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 55' ' ' PRO . . . . . 0.565 ' HG2' ' CD2' ' A' ' 58' ' ' HIS . 18.3 Cg_endo -75.01 162.09 37.66 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.491 1.784 . . . . 0.0 111.009 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -101.47 23.24 11.37 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.498 1.124 . . . . 0.0 109.347 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 53.2 m-80 -122.48 -45.84 2.18 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.508 1.13 . . . . 0.0 109.319 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 58' ' ' HIS . . . . . 0.571 ' NE2' ' CD1' ' A' ' 16' ' ' TYR . 4.4 m-70 -55.25 -26.15 37.97 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.515 1.134 . . . . 0.0 109.567 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 13.8 m -122.73 147.75 26.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.511 1.132 . . . . 0.0 109.348 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 150.6 -169.64 30.47 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.475 1.109 . . . . 0.0 111.046 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -91.2 165.34 13.52 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.522 0.778 . . . . 0.0 109.284 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 12.3 t-80 -111.55 -55.2 2.53 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.485 1.116 . . . . 0.0 109.566 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 50.9 m 62.63 136.52 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.478 1.111 . . . . 0.0 110.035 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 136.25 -145.62 17.55 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.467 1.105 . . . . 0.0 111.009 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 162.09 37.73 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.45 1.763 . . . . 0.0 111.032 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 79.2 p -123.07 156.42 34.93 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.489 1.118 . . . . 0.0 110.013 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 21.5 t -117.49 133.18 56.25 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.47 1.106 . . . . 0.0 110.016 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.034 0 O-C-N 124.512 1.132 . . . . 0.0 110.977 179.961 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.996 0 N-CA-C 110.978 -0.849 . . . . 0.0 110.978 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 51.0 m 65.99 108.75 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.498 0.763 . . . . 0.0 109.999 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 43.6 t -75.53 92.6 2.91 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.464 1.102 . . . . 0.0 109.999 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 117.81 -128.3 7.73 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.506 1.129 . . . . 0.0 111.003 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 17.9 m -69.73 160.18 32.15 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.542 0.79 . . . . 0.0 109.992 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 21.9 p -171.55 128.74 0.67 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.516 1.135 . . . . 0.0 110.024 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.476 ' HA3' ' CD1' ' A' ' 33' ' ' LEU . . . 118.59 168.6 14.27 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.493 1.121 . . . . 0.0 111.041 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -122.19 105.86 10.62 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.476 0.751 . . . . 0.0 110.314 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 9' ' ' GLU . . . . . 0.456 ' HG2' HD22 ' A' ' 33' ' ' LEU . 0.4 OUTLIER -69.05 122.57 18.98 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.471 1.107 . . . . 0.0 110.34 179.949 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 6.3 m-85 -132.51 165.37 24.49 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.471 1.107 . . . . 0.0 110.971 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.696 HG13 ' HA2' ' A' ' 29' ' ' GLY . 2.3 t -121.32 137.25 55.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.508 1.13 . . . . 0.0 109.304 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -71.07 117.92 13.19 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.544 1.153 . . . . 0.0 109.302 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.431 ' N ' ' O ' ' A' ' 58' ' ' HIS . 2.5 pt -61.17 -21.1 23.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 0.0 109.289 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -165.96 150.66 8.3 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.526 1.142 . . . . 0.0 109.3 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -56.18 146.72 22.47 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.54 1.15 . . . . 0.0 109.288 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 27.1 t80 -133.86 155.76 49.28 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.518 1.136 . . . . 0.0 110.953 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -129.54 110.54 11.93 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.507 1.129 . . . . 0.0 109.288 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.45 ' HB1' ' HB2' ' A' ' 23' ' ' GLN . . . -52.97 120.26 5.63 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.537 1.148 . . . . 0.0 109.353 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -79.36 -22.41 44.45 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.468 1.105 . . . . 0.0 110.412 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 20' ' ' ASP . . . . . 0.429 ' H ' HE21 ' A' ' 23' ' ' GLN . 1.2 m-20 -122.22 -178.57 3.91 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.508 1.13 . . . . 0.0 109.32 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 2.1 pt-20 -97.54 18.0 16.42 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.537 1.148 . . . . 0.0 110.301 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 66.9 p -127.34 34.79 4.65 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.49 1.119 . . . . 0.0 110.387 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' GLN . . . . . 0.45 ' HB2' ' HB1' ' A' ' 18' ' ' ALA . 43.5 mt-30 -137.83 166.93 22.81 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.544 1.153 . . . . 0.0 110.233 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.634 HD13 ' CG ' ' A' ' 47' ' ' ARG . 14.0 mt -106.93 132.58 52.72 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.454 1.096 . . . . 0.0 109.303 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 12.5 p -104.7 129.1 52.94 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.531 1.144 . . . . 0.0 109.998 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 26' ' ' PHE . . . . . 0.67 ' CB ' HD11 ' A' ' 32' ' ' ILE . 3.2 p90 -139.69 -179.0 5.67 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.5 1.125 . . . . 0.0 111.033 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.684 HD12 ' N ' ' A' ' 28' ' ' ARG . 0.1 OUTLIER -125.21 144.26 50.54 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.495 1.122 . . . . 0.0 109.3 -179.989 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 28' ' ' ARG . . . . . 0.684 ' N ' HD12 ' A' ' 27' ' ' LEU . 3.5 ttp85 -38.76 118.4 0.75 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.504 1.127 . . . . 0.0 110.312 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 29' ' ' GLY . . . . . 0.696 ' HA2' HG13 ' A' ' 11' ' ' VAL . . . 107.7 -37.93 3.58 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.536 1.148 . . . . 0.0 110.953 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 4.6 mt-10 -38.67 129.64 1.45 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.494 0.761 . . . . 0.0 110.316 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.461 ' HE2' ' CG2' ' A' ' 11' ' ' VAL . 26.0 mmtt -75.98 102.62 5.69 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.52 1.137 . . . . 0.0 109.297 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.67 HD11 ' CB ' ' A' ' 26' ' ' PHE . 5.2 mm -94.98 127.16 47.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.557 1.161 . . . . 0.0 109.31 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.476 ' CD1' ' HA3' ' A' ' 7' ' ' GLY . 0.1 OUTLIER -88.59 117.87 27.85 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.467 1.105 . . . . 0.0 109.315 -179.99 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.654 ' CD1' HD11 ' A' ' 54' ' ' ILE . 43.0 mm -92.06 83.01 1.87 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.491 1.119 . . . . 0.0 109.309 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.46 ' CD2' ' HB2' ' A' ' 46' ' ' GLU . 5.5 mp -49.44 -68.61 0.16 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.546 1.154 . . . . 0.0 109.265 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 26.5 mtt180 -135.45 173.47 11.68 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.522 1.139 . . . . 0.0 110.314 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 37' ' ' GLN . . . . . 0.408 ' HG2' ' CE2' ' A' ' 43' ' ' TRP . 5.4 mp0 -131.36 68.42 1.49 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.522 1.139 . . . . 0.0 110.251 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 38' ' ' THR . . . . . 0.4 ' C ' ' O ' ' A' ' 37' ' ' GLN . 82.6 p -38.32 -44.5 0.9 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.5 1.125 . . . . 0.0 110.396 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 29.7 p -131.93 -177.69 4.55 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.533 1.146 . . . . 0.0 110.394 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -97.97 6.52 47.59 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.488 1.117 . . . . 0.0 109.267 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 7.5 m-20 -121.38 -42.06 2.47 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.451 1.094 . . . . 0.0 109.313 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 90.2 m95 -112.17 127.27 55.89 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 108.003 -1.11 . . . . 0.0 108.003 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 43' ' ' TRP . . . . . 0.408 ' CE2' ' HG2' ' A' ' 37' ' ' GLN . 45.0 m0 -113.98 151.86 31.74 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.532 1.145 . . . . 0.0 107.999 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 72.6 t-105 -99.91 104.79 16.45 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.499 1.124 . . . . 0.0 108.049 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -104.06 175.37 22.99 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.522 1.139 . . . . 0.0 110.955 -179.927 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.46 ' HB2' ' CD2' ' A' ' 35' ' ' LEU . 21.5 tt0 -146.67 120.78 9.46 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.525 0.78 . . . . 0.0 110.332 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 47' ' ' ARG . . . . . 0.634 ' CG ' HD13 ' A' ' 24' ' ' LEU . 0.0 OUTLIER -94.59 -175.35 3.58 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.541 1.15 . . . . 0.0 110.302 -179.996 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -57.96 103.25 0.13 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.458 1.099 . . . . 0.0 109.29 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 62.56 8.73 21.59 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.529 1.143 . . . . 0.0 111.005 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 50' ' ' CYS . . . . . 0.482 ' C ' ' HG ' ' A' ' 51' ' ' CYS . 1.2 m -114.71 155.0 27.46 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 108.293 -1.003 . . . . 0.0 108.293 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 51' ' ' CYS . . . . . 0.482 ' HG ' ' C ' ' A' ' 50' ' ' CYS . 3.7 m -148.24 111.95 5.07 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.499 1.124 . . . . 0.0 108.27 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -148.76 -176.91 22.53 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.488 1.117 . . . . 0.0 111.029 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 1.2 m-85 -94.15 143.99 25.89 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.539 0.787 . . . . 0.0 110.99 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 54' ' ' ILE . . . . . 0.654 HD11 ' CD1' ' A' ' 34' ' ' ILE . 4.7 pt -128.76 149.99 73.67 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.465 1.103 . . . . 0.0 109.29 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 55' ' ' PRO . . . . . 0.402 ' HD3' ' HA ' ' A' ' 54' ' ' ILE . 18.2 Cg_endo -75.01 166.64 28.78 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.5 1.79 . . . . 0.0 111.008 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -109.75 81.9 1.51 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.504 1.128 . . . . 0.0 109.328 180.0 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 27.6 t30 175.42 -41.48 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.453 1.096 . . . . 0.0 109.29 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 58' ' ' HIS . . . . . 0.431 ' O ' ' N ' ' A' ' 13' ' ' ILE . 12.5 m-70 -65.01 -22.68 67.03 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.527 1.142 . . . . 0.0 109.577 -179.922 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 14.5 m -112.97 147.47 16.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.541 1.151 . . . . 0.0 109.317 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 148.61 156.36 7.08 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.512 1.132 . . . . 0.0 111.024 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 61' ' ' LYS . . . . . 0.492 ' CD ' ' O ' ' A' ' 61' ' ' LYS . 0.0 OUTLIER -43.03 144.32 0.63 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.523 0.778 . . . . 0.0 109.333 -179.998 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 23.0 p80 -81.78 143.26 31.92 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.527 1.142 . . . . 0.0 109.614 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 3.2 m -127.23 149.4 50.01 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.47 1.106 . . . . 0.0 110.009 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -167.53 179.95 40.69 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.452 1.095 . . . . 0.0 110.99 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 150.18 37.68 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.479 1.778 . . . . 0.0 111.01 180.0 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 69.28 101.1 0.06 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.508 1.13 . . . . 0.0 110.021 -179.94 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 3.2 m 63.38 120.38 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.518 1.136 . . . . 0.0 109.995 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.976 0 O-C-N 124.476 1.11 . . . . 0.0 111.022 -179.994 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.982 0 N-CA-C 111.006 -0.837 . . . . 0.0 111.006 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -87.78 126.24 34.89 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.523 0.778 . . . . 0.0 110.016 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 15.0 m 62.77 80.1 0.24 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.547 1.155 . . . . 0.0 110.01 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 123.0 137.83 5.14 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.492 1.12 . . . . 0.0 111.008 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.3 m 64.46 96.66 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.512 0.772 . . . . 0.0 110.014 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 23.3 t -175.94 109.75 0.1 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.529 1.143 . . . . 0.0 110.03 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.465 ' HA3' ' CD1' ' A' ' 33' ' ' LEU . . . 106.99 -175.74 20.81 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.529 1.143 . . . . 0.0 110.973 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 23.3 mt-10 -114.02 127.65 56.04 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.482 0.754 . . . . 0.0 110.28 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' GLU . . . . . 0.464 ' HG3' HD22 ' A' ' 33' ' ' LEU . 0.4 OUTLIER -87.66 109.35 19.61 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.477 1.111 . . . . 0.0 110.34 179.972 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 10' ' ' PHE . . . . . 0.477 ' CD2' ' O ' ' A' ' 60' ' ' GLY . 13.8 m-85 -110.7 161.18 16.01 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.506 1.129 . . . . 0.0 110.971 -179.95 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.538 HG13 ' HA2' ' A' ' 29' ' ' GLY . 2.3 t -119.49 136.49 56.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.471 1.107 . . . . 0.0 109.275 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -72.82 117.87 15.07 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.464 1.103 . . . . 0.0 109.29 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.44 ' N ' ' O ' ' A' ' 58' ' ' HIS . 3.1 pt -61.17 -15.71 12.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.523 1.139 . . . . 0.0 109.276 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -170.13 152.18 4.16 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.514 1.134 . . . . 0.0 109.288 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -55.8 148.25 17.15 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.512 1.133 . . . . 0.0 109.273 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 16' ' ' TYR . . . . . 0.448 ' HB3' ' CE1' ' A' ' 26' ' ' PHE . 26.7 t80 -130.17 161.62 30.71 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.493 1.121 . . . . 0.0 111.07 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.404 ' N ' ' CG ' ' A' ' 16' ' ' TYR . . . -135.76 107.65 7.1 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.532 1.145 . . . . 0.0 109.294 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.472 ' HB1' ' HB2' ' A' ' 23' ' ' GLN . . . -52.93 119.04 4.18 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.532 1.145 . . . . 0.0 109.304 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -78.01 -26.47 48.52 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.509 1.131 . . . . 0.0 110.407 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 1.3 t0 -118.32 -175.82 2.94 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.574 1.172 . . . . 0.0 109.302 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -100.22 17.97 19.95 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.527 1.142 . . . . 0.0 110.342 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 75.6 p -123.14 7.47 9.17 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.485 1.115 . . . . 0.0 110.389 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 23' ' ' GLN . . . . . 0.472 ' HB2' ' HB1' ' A' ' 18' ' ' ALA . 64.8 mt-30 -108.26 166.83 10.46 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.476 1.11 . . . . 0.0 110.289 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.699 HD13 ' HG2' ' A' ' 47' ' ' ARG . 14.5 mt -111.74 126.94 55.59 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.531 1.144 . . . . 0.0 109.322 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 56.5 p -97.72 137.78 36.09 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.515 1.134 . . . . 0.0 110.023 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 26' ' ' PHE . . . . . 0.45 ' CB ' HD11 ' A' ' 32' ' ' ILE . 1.5 p90 -147.5 173.19 12.9 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.548 1.155 . . . . 0.0 111.032 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.595 HD12 ' N ' ' A' ' 28' ' ' ARG . 0.1 OUTLIER -116.75 143.3 45.83 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.5 1.125 . . . . 0.0 109.25 -179.95 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 28' ' ' ARG . . . . . 0.595 ' N ' HD12 ' A' ' 27' ' ' LEU . 4.1 ttp180 -40.1 120.12 1.13 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.464 1.103 . . . . 0.0 110.313 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 29' ' ' GLY . . . . . 0.538 ' HA2' HG13 ' A' ' 11' ' ' VAL . . . 107.51 -31.65 7.87 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.465 1.103 . . . . 0.0 110.999 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 4.4 mt-10 -43.94 128.24 5.57 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.516 0.774 . . . . 0.0 110.283 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 10.2 mmtp -76.6 99.11 4.89 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.539 1.149 . . . . 0.0 109.352 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.45 HD11 ' CB ' ' A' ' 26' ' ' PHE . 5.4 mm -90.65 146.22 6.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.461 1.101 . . . . 0.0 109.33 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.465 ' CD1' ' HA3' ' A' ' 7' ' ' GLY . 0.1 OUTLIER -108.36 127.07 53.56 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.473 1.108 . . . . 0.0 109.35 179.944 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.538 ' CD1' ' CD1' ' A' ' 54' ' ' ILE . 22.3 mm -103.31 104.67 16.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.517 1.136 . . . . 0.0 109.297 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.432 HD21 ' CB ' ' A' ' 46' ' ' GLU . 2.7 mm? -76.6 -66.63 0.79 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.547 1.154 . . . . 0.0 109.336 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 3.7 mtt-85 -127.24 166.38 17.87 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.515 1.134 . . . . 0.0 110.293 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 37' ' ' GLN . . . . . 0.438 ' O ' ' N ' ' A' ' 39' ' ' THR . 56.2 mt-30 -102.36 -31.65 10.39 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.457 1.098 . . . . 0.0 110.321 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 26.5 m 66.31 -70.52 0.1 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.508 1.13 . . . . 0.0 110.427 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 39' ' ' THR . . . . . 0.48 ' O ' ' HB2' ' A' ' 40' ' ' ALA . 2.4 p -115.56 -80.58 0.6 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.449 1.093 . . . . 0.0 110.365 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.48 ' HB2' ' O ' ' A' ' 39' ' ' THR . . . 176.55 -45.57 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.505 1.128 . . . . 0.0 109.291 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -80.89 -32.27 34.91 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.516 1.135 . . . . 0.0 109.305 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 42' ' ' TRP . . . . . 0.407 ' O ' ' O ' ' A' ' 37' ' ' GLN . 88.2 m95 -112.68 123.36 50.12 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.479 1.112 . . . . 0.0 108.019 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 43' ' ' TRP . . . . . 0.428 ' NE1' ' O ' ' A' ' 40' ' ' ALA . 47.4 m0 -113.05 161.71 16.75 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.503 1.127 . . . . 0.0 108.024 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 67.0 t-105 -111.67 114.52 27.59 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 107.955 -1.128 . . . . 0.0 107.955 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -111.06 -169.81 19.12 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.515 1.134 . . . . 0.0 111.027 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.432 ' CB ' HD21 ' A' ' 35' ' ' LEU . 43.2 tt0 -150.25 120.76 7.42 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.502 0.766 . . . . 0.0 110.351 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 47' ' ' ARG . . . . . 0.699 ' HG2' HD13 ' A' ' 24' ' ' LEU . 0.0 OUTLIER -92.36 -172.89 3.24 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.496 1.123 . . . . 0.0 110.326 179.998 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -63.15 102.79 0.41 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.451 1.094 . . . . 0.0 109.337 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 62.54 8.4 19.79 Favored Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.516 1.135 . . . . 0.0 111.03 -179.932 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 1.3 m -115.06 161.78 17.89 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 108.307 -0.998 . . . . 0.0 108.307 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 11.8 p -148.69 112.22 5.03 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.435 1.084 . . . . 0.0 108.288 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -148.47 -176.89 22.28 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.496 1.122 . . . . 0.0 111.039 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 14.5 m-85 -91.14 160.51 15.53 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.518 0.775 . . . . 0.0 110.999 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 54' ' ' ILE . . . . . 0.538 ' CD1' ' CD1' ' A' ' 34' ' ' ILE . 4.8 pt -143.55 146.63 36.24 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 0.0 109.302 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 55' ' ' PRO . . . . . 0.411 ' HD3' ' HA ' ' A' ' 54' ' ' ILE . 18.2 Cg_endo -74.98 164.26 33.72 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.481 1.78 . . . . 0.0 111.011 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -110.59 82.47 1.6 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.514 1.134 . . . . 0.0 109.29 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 47.5 t30 177.14 -39.31 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.491 1.119 . . . . 0.0 109.323 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 58' ' ' HIS . . . . . 0.44 ' O ' ' N ' ' A' ' 13' ' ' ILE . 9.9 m-70 -67.69 -26.06 65.99 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.504 1.127 . . . . 0.0 109.584 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 11.2 m -110.28 144.59 18.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.504 1.128 . . . . 0.0 109.307 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 60' ' ' GLY . . . . . 0.477 ' O ' ' CD2' ' A' ' 10' ' ' PHE . . . -141.22 -92.89 0.2 Allowed Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.512 1.132 . . . . 0.0 110.99 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 4.2 tttt 62.93 98.43 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.495 0.762 . . . . 0.0 109.295 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 6.5 p-80 -160.87 153.79 21.2 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.498 1.123 . . . . 0.0 109.61 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -43.21 147.99 0.32 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.454 1.097 . . . . 0.0 110.022 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -162.26 159.61 31.76 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.526 1.142 . . . . 0.0 110.999 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.94 135.65 19.47 Favored 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.468 1.773 . . . . 0.0 111.031 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 17.8 t -137.29 156.57 48.11 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.441 1.088 . . . . 0.0 110.049 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 69.3 m -112.88 156.04 23.64 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.551 1.157 . . . . 0.0 110.011 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.032 0 O-C-N 124.487 1.117 . . . . 0.0 110.945 -179.98 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.011 0 N-CA-C 110.978 -0.849 . . . . 0.0 110.978 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 26.4 m -132.97 165.82 23.83 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.5 0.765 . . . . 0.0 109.999 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.7 t -111.45 140.23 46.22 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.518 1.136 . . . . 0.0 110.017 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -175.87 156.16 21.06 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.452 1.095 . . . . 0.0 111.04 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -132.91 -62.27 0.81 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.464 0.744 . . . . 0.0 110.01 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 60.0 p -143.88 157.57 44.27 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.493 1.121 . . . . 0.0 109.985 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.475 ' HA3' ' CD1' ' A' ' 33' ' ' LEU . . . 134.72 -173.02 21.7 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.521 1.138 . . . . 0.0 111.019 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 -122.85 117.43 25.61 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.515 0.773 . . . . 0.0 110.328 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' GLU . . . . . 0.464 ' HG3' ' CD2' ' A' ' 33' ' ' LEU . 0.1 OUTLIER -76.84 108.19 9.69 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.513 1.133 . . . . 0.0 110.297 -179.997 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 10.3 m-85 -112.1 162.06 15.83 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.532 1.145 . . . . 0.0 111.033 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.488 HG13 ' HA2' ' A' ' 29' ' ' GLY . 2.4 t -122.53 138.14 53.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.523 1.139 . . . . 0.0 109.311 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -70.96 117.92 13.07 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.486 1.116 . . . . 0.0 109.33 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 3.0 pt -67.29 -14.14 17.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.472 1.108 . . . . 0.0 109.311 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -165.82 145.95 6.55 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.49 1.119 . . . . 0.0 109.314 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' ASP . . . . . 0.439 ' N ' ' OD1' ' A' ' 15' ' ' ASP . 0.1 OUTLIER -64.49 136.69 57.31 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.512 1.132 . . . . 0.0 109.296 -179.981 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 33.0 t80 -124.44 158.55 32.54 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.514 1.134 . . . . 0.0 111.023 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.553 ' O ' HG23 ' A' ' 19' ' ' THR . . . -125.11 112.8 16.92 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.515 1.135 . . . . 0.0 109.273 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -54.72 114.56 1.75 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.493 1.121 . . . . 0.0 109.337 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' THR . . . . . 0.553 HG23 ' O ' ' A' ' 17' ' ' ALA . 16.3 p -102.48 5.19 39.38 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.128 . . . . 0.0 110.39 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 3.0 t0 -127.73 178.75 5.93 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.515 1.134 . . . . 0.0 109.265 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.419 ' HG2' HG23 ' A' ' 22' ' ' THR . 0.3 OUTLIER -100.77 5.75 43.67 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.503 1.127 . . . . 0.0 110.317 179.954 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 22' ' ' THR . . . . . 0.419 HG23 ' HG2' ' A' ' 21' ' ' GLU . 52.8 p -133.83 49.07 2.3 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.458 1.099 . . . . 0.0 110.423 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 91.2 mt-30 -145.1 167.27 23.13 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.49 1.119 . . . . 0.0 110.273 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.814 HD13 ' CG ' ' A' ' 47' ' ' ARG . 16.1 mt -114.77 144.48 43.41 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.438 1.087 . . . . 0.0 109.268 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 12.9 p -112.27 129.13 56.38 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.489 1.118 . . . . 0.0 110.011 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 26' ' ' PHE . . . . . 0.473 ' CB ' HD11 ' A' ' 32' ' ' ILE . 2.5 p90 -139.47 179.7 6.39 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.486 1.116 . . . . 0.0 111.041 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.674 HD12 ' N ' ' A' ' 28' ' ' ARG . 0.1 OUTLIER -124.15 144.96 49.6 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.516 1.135 . . . . 0.0 109.312 179.981 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 28' ' ' ARG . . . . . 0.674 ' N ' HD12 ' A' ' 27' ' ' LEU . 3.5 ttt180 -43.65 113.17 0.47 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.514 1.134 . . . . 0.0 110.315 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 29' ' ' GLY . . . . . 0.488 ' HA2' HG13 ' A' ' 11' ' ' VAL . . . 115.39 -29.11 7.48 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.525 1.14 . . . . 0.0 110.965 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -49.51 130.52 20.37 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.512 0.772 . . . . 0.0 110.295 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 9.3 mmtt -76.48 101.88 5.79 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.503 1.127 . . . . 0.0 109.328 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.473 HD11 ' CB ' ' A' ' 26' ' ' PHE . 5.2 mm -93.25 140.36 16.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.504 1.128 . . . . 0.0 109.286 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.475 ' CD1' ' HA3' ' A' ' 7' ' ' GLY . 0.2 OUTLIER -105.33 121.54 44.09 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.464 1.102 . . . . 0.0 109.287 179.984 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.595 ' CD1' HD11 ' A' ' 54' ' ' ILE . 36.6 mm -98.24 105.5 17.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.421 1.076 . . . . 0.0 109.294 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.433 HD21 ' CB ' ' A' ' 46' ' ' GLU . 2.8 mm? -75.46 -68.42 0.56 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.486 1.116 . . . . 0.0 109.312 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 4.0 mmt180 -123.64 167.23 14.23 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.524 1.14 . . . . 0.0 110.303 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 37' ' ' GLN . . . . . 0.437 ' O ' ' N ' ' A' ' 39' ' ' THR . 87.8 mt-30 -99.96 -30.12 12.18 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.463 1.102 . . . . 0.0 110.312 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 4.9 m 67.64 -67.53 0.18 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.517 1.136 . . . . 0.0 110.364 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 39' ' ' THR . . . . . 0.453 ' O ' ' HB2' ' A' ' 40' ' ' ALA . 27.5 p -124.8 -79.62 0.61 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.538 1.149 . . . . 0.0 110.387 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.453 ' HB2' ' O ' ' A' ' 39' ' ' THR . . . 178.18 -37.16 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.431 1.082 . . . . 0.0 109.342 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 41' ' ' ASP . . . . . 0.434 ' O ' ' N ' ' A' ' 56' ' ' ALA . 9.3 m-20 -89.05 -37.39 15.17 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.531 1.145 . . . . 0.0 109.301 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 94.8 m95 -108.28 123.12 48.31 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.527 1.142 . . . . 0.0 107.998 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 44.5 m0 -112.93 161.93 16.43 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 107.988 -1.116 . . . . 0.0 107.988 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 44' ' ' TRP . . . . . 0.428 ' CZ3' ' CD2' ' A' ' 53' ' ' TYR . 68.2 t-105 -111.94 115.7 29.4 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.47 1.106 . . . . 0.0 108.025 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -112.47 -172.21 18.71 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.494 1.121 . . . . 0.0 110.954 -179.928 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.433 ' CB ' HD21 ' A' ' 35' ' ' LEU . 46.2 tt0 -148.35 120.6 8.37 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.488 0.758 . . . . 0.0 110.331 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 47' ' ' ARG . . . . . 0.814 ' CG ' HD13 ' A' ' 24' ' ' LEU . 4.3 mmm180 -92.59 -174.11 3.56 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.437 1.086 . . . . 0.0 110.343 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -62.07 103.04 0.33 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.513 1.133 . . . . 0.0 109.315 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 62.59 8.36 19.86 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.537 1.148 . . . . 0.0 110.988 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 1.2 m -114.85 162.18 17.24 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 108.306 -0.998 . . . . 0.0 108.306 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 12.8 p -148.51 111.8 4.95 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.534 1.146 . . . . 0.0 108.315 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -148.59 -176.86 22.35 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.499 1.125 . . . . 0.0 110.987 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 53' ' ' TYR . . . . . 0.621 ' O ' HG23 ' A' ' 54' ' ' ILE . 26.8 m-85 -90.93 174.07 7.63 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.506 0.768 . . . . 0.0 111.008 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 54' ' ' ILE . . . . . 0.621 HG23 ' O ' ' A' ' 53' ' ' TYR . 3.7 pt -158.14 146.18 13.91 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.475 1.109 . . . . 0.0 109.321 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 55' ' ' PRO . . . . . 0.411 ' HD3' ' HA ' ' A' ' 54' ' ' ILE . 18.0 Cg_endo -75.05 159.71 40.86 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.507 1.793 . . . . 0.0 110.995 -179.955 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 56' ' ' ALA . . . . . 0.434 ' N ' ' O ' ' A' ' 41' ' ' ASP . . . -103.44 81.47 1.93 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.512 1.133 . . . . 0.0 109.261 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 40.4 t-20 178.01 -45.3 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.537 1.148 . . . . 0.0 109.273 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 1.8 m-70 -61.66 -27.46 68.69 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.526 1.141 . . . . 0.0 109.625 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 18.1 m -110.14 153.9 11.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.516 1.135 . . . . 0.0 109.32 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 172.86 -152.5 16.39 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.44 1.088 . . . . 0.0 111.025 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 6.5 mmtp -100.05 133.03 45.03 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.503 0.767 . . . . 0.0 109.32 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 27.6 t60 -96.58 88.81 4.78 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.452 1.095 . . . . 0.0 109.616 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 25.9 t -105.11 123.44 47.82 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.489 1.118 . . . . 0.0 109.999 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -63.23 146.46 50.41 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.48 1.113 . . . . 0.0 110.996 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 141.87 27.11 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.498 1.788 . . . . 0.0 111.002 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 66' ' ' SER . . . . . 0.432 ' O ' ' N ' ' A' ' 68' ' ' GLY . 3.9 m 58.76 113.63 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.519 1.137 . . . . 0.0 110.047 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 13.3 m 58.53 -86.53 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.446 1.091 . . . . 0.0 109.984 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 68' ' ' GLY . . . . . 0.432 ' N ' ' O ' ' A' ' 66' ' ' SER . . . . . . . . 0 CA--C 1.53 0.988 0 O-C-N 124.545 1.153 . . . . 0.0 111.02 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.98 0 N-CA-C 110.999 -0.841 . . . . 0.0 110.999 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -124.71 82.37 2.04 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.473 0.749 . . . . 0.0 110.026 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -53.96 -59.01 5.19 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.512 1.132 . . . . 0.0 109.997 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -172.34 58.66 0.16 Allowed Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.475 1.109 . . . . 0.0 111.009 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.4 m 52.08 99.82 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.513 0.772 . . . . 0.0 109.985 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 68.1 m -45.09 -61.49 1.61 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.535 1.147 . . . . 0.0 110.012 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.471 ' HA3' ' CD1' ' A' ' 33' ' ' LEU . . . 147.5 -166.18 28.68 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.559 1.162 . . . . 0.0 110.991 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 7.0 mt-10 -124.45 117.21 23.9 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.527 0.781 . . . . 0.0 110.327 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' GLU . . . . . 0.457 ' HG2' HD22 ' A' ' 33' ' ' LEU . 0.5 OUTLIER -80.67 115.02 19.96 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.517 1.136 . . . . 0.0 110.284 -179.979 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 6.3 m-85 -119.04 159.35 24.07 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.451 1.094 . . . . 0.0 110.978 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.601 HG13 ' HA2' ' A' ' 29' ' ' GLY . 2.2 t -116.63 133.85 61.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.452 1.095 . . . . 0.0 109.296 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -70.97 117.73 12.84 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.459 1.1 . . . . 0.0 109.292 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 2.8 pt -61.38 -16.27 14.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.494 1.121 . . . . 0.0 109.289 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -167.83 158.51 10.87 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.533 1.146 . . . . 0.0 109.321 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 7.7 p-10 -63.39 140.2 58.85 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.544 1.153 . . . . 0.0 109.3 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' TYR . . . . . 0.538 ' HB3' ' CE1' ' A' ' 26' ' ' PHE . 26.4 t80 -130.73 149.78 52.22 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.513 1.133 . . . . 0.0 110.994 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -127.5 116.9 21.11 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.505 1.128 . . . . 0.0 109.256 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.592 ' HB1' ' HB2' ' A' ' 23' ' ' GLN . . . -53.53 124.48 15.06 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.476 1.11 . . . . 0.0 109.3 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -82.92 -25.95 31.92 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.53 1.144 . . . . 0.0 110.382 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -122.16 -179.47 4.18 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.511 1.132 . . . . 0.0 109.293 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -90.84 16.86 8.57 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.485 1.116 . . . . 0.0 110.31 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 79.6 p -125.86 28.64 6.1 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.516 1.135 . . . . 0.0 110.394 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 23' ' ' GLN . . . . . 0.592 ' HB2' ' HB1' ' A' ' 18' ' ' ALA . 63.7 mt-30 -135.51 164.05 28.68 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.47 1.106 . . . . 0.0 110.303 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.708 HD13 ' CG ' ' A' ' 47' ' ' ARG . 16.8 mt -110.58 139.01 46.24 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.467 1.105 . . . . 0.0 109.287 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -108.77 128.81 55.21 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.485 1.116 . . . . 0.0 109.993 -179.953 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 26' ' ' PHE . . . . . 0.538 ' CE1' ' HB3' ' A' ' 16' ' ' TYR . 2.6 p90 -137.66 179.91 6.14 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.465 1.103 . . . . 0.0 111.018 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.606 HD12 ' N ' ' A' ' 28' ' ' ARG . 0.1 OUTLIER -120.98 142.78 49.46 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.549 1.156 . . . . 0.0 109.264 -179.995 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 28' ' ' ARG . . . . . 0.606 ' N ' HD12 ' A' ' 27' ' ' LEU . 6.3 ttp180 -39.03 118.73 0.81 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.487 1.117 . . . . 0.0 110.297 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 29' ' ' GLY . . . . . 0.601 ' HA2' HG13 ' A' ' 11' ' ' VAL . . . 108.34 -34.97 5.26 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.542 1.151 . . . . 0.0 110.984 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 -38.85 134.45 0.98 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.524 0.779 . . . . 0.0 110.277 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 7.1 mmtt -79.92 102.42 9.17 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.507 1.13 . . . . 0.0 109.279 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.514 HD11 ' CB ' ' A' ' 26' ' ' PHE . 4.4 mm -94.09 135.82 27.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.461 1.1 . . . . 0.0 109.294 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.471 ' CD1' ' HA3' ' A' ' 7' ' ' GLY . 0.1 OUTLIER -102.39 117.84 35.6 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.499 1.124 . . . . 0.0 109.263 -179.958 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.489 ' CD1' HD11 ' A' ' 54' ' ' ILE . 15.7 mm -92.31 108.07 19.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.465 1.103 . . . . 0.0 109.289 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.437 ' N ' HD22 ' A' ' 35' ' ' LEU . 2.6 mm? -78.69 -68.05 0.69 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.546 1.154 . . . . 0.0 109.297 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 28.0 mtt-85 -122.41 173.17 7.82 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.531 1.145 . . . . 0.0 110.286 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 37' ' ' GLN . . . . . 0.426 ' O ' ' N ' ' A' ' 39' ' ' THR . 55.8 mt-30 -104.75 -30.25 10.03 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.488 1.118 . . . . 0.0 110.312 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 7.8 m 67.41 -68.32 0.16 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.475 1.11 . . . . 0.0 110.37 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 39' ' ' THR . . . . . 0.54 ' O ' ' HB2' ' A' ' 40' ' ' ALA . 33.5 p -126.12 -74.87 0.59 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.508 1.13 . . . . 0.0 110.428 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.54 ' HB2' ' O ' ' A' ' 39' ' ' THR . . . 173.09 -34.78 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.434 1.084 . . . . 0.0 109.295 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -90.82 -34.52 15.26 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.518 1.136 . . . . 0.0 109.257 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 42' ' ' TRP . . . . . 0.4 ' O ' ' O ' ' A' ' 37' ' ' GLN . 95.6 m95 -111.94 122.95 49.17 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 107.98 -1.118 . . . . 0.0 107.98 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 44.8 m0 -113.71 157.16 22.55 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.548 1.155 . . . . 0.0 107.957 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 44' ' ' TRP . . . . . 0.406 ' CE3' ' CD2' ' A' ' 53' ' ' TYR . 68.2 t-105 -106.36 116.57 32.15 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 107.99 -1.115 . . . . 0.0 107.99 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -113.85 -176.49 19.2 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.468 1.105 . . . . 0.0 110.986 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.417 ' CB ' HD21 ' A' ' 35' ' ' LEU . 31.1 tt0 -147.97 120.88 8.74 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.52 0.776 . . . . 0.0 110.306 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 47' ' ' ARG . . . . . 0.708 ' CG ' HD13 ' A' ' 24' ' ' LEU . 0.0 OUTLIER -95.72 -175.18 3.36 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.555 1.159 . . . . 0.0 110.291 -179.973 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -58.26 103.09 0.13 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.466 1.103 . . . . 0.0 109.297 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 62.13 8.83 19.2 Favored Glycine 0 CA--C 1.529 0.945 0 O-C-N 124.486 1.117 . . . . 0.0 110.995 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 1.2 m -114.76 157.25 23.47 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 108.284 -1.006 . . . . 0.0 108.284 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 17.6 p -148.25 110.63 4.66 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.445 1.091 . . . . 0.0 108.268 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -148.95 -176.9 22.66 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.501 1.125 . . . . 0.0 111.032 179.93 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 53' ' ' TYR . . . . . 0.55 ' O ' HG23 ' A' ' 54' ' ' ILE . 23.2 m-85 -90.67 171.8 9.11 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.51 0.77 . . . . 0.0 110.92 -179.944 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 54' ' ' ILE . . . . . 0.55 HG23 ' O ' ' A' ' 53' ' ' TYR . 3.1 pt -156.28 149.4 18.52 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.507 1.13 . . . . 0.0 109.348 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 168.91 23.78 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.479 1.779 . . . . 0.0 111.002 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -112.77 85.49 2.18 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.506 1.129 . . . . 0.0 109.305 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER 167.41 -35.93 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.524 1.14 . . . . 0.0 109.333 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 5.0 m80 -70.63 -16.67 62.85 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.523 1.139 . . . . 0.0 109.566 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 9.3 m -117.21 143.47 27.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.526 1.141 . . . . 0.0 109.247 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 156.93 173.92 25.99 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.49 1.118 . . . . 0.0 110.996 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 1.5 mptp? -45.41 131.95 8.1 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.449 0.735 . . . . 0.0 109.346 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 62' ' ' HIS . . . . . 0.417 ' O ' ' N ' ' A' ' 64' ' ' GLY . 4.8 p80 -83.43 84.01 7.67 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.483 1.114 . . . . 0.0 109.625 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 5.9 t 68.44 -69.34 0.15 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.459 1.099 . . . . 0.0 110.057 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 64' ' ' GLY . . . . . 0.417 ' N ' ' O ' ' A' ' 62' ' ' HIS . . . 173.92 -146.19 8.61 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.476 1.11 . . . . 0.0 111.004 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.08 101.94 1.53 Allowed 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.524 1.802 . . . . 0.0 110.971 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -156.85 91.06 1.18 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.476 1.11 . . . . 0.0 109.991 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 40.2 t -172.32 -60.28 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.458 1.099 . . . . 0.0 110.009 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.043 0 O-C-N 124.471 1.107 . . . . 0.0 110.978 179.988 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . 0.467 ' HA3' ' CD1' ' A' ' 33' ' ' LEU . . . . . . . . 0 CA--C 1.53 0.982 0 N-CA-C 110.998 -0.841 . . . . 0.0 110.998 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -117.59 116.93 28.07 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.477 0.751 . . . . 0.0 110.354 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -83.54 124.14 30.45 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.492 1.12 . . . . 0.0 110.283 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 8.9 m-85 -133.9 167.86 19.82 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.446 1.091 . . . . 0.0 110.984 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . 0.627 HG13 ' HA2' ' A' ' 29' ' ' GLY . 2.5 t -123.51 138.13 54.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.465 1.103 . . . . 0.0 109.317 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . 0.443 ' HB2' ' CD1' ' A' ' 26' ' ' PHE . . . -72.44 118.89 15.9 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.452 1.095 . . . . 0.0 109.346 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 3.5 pt -70.92 -7.31 8.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.489 1.118 . . . . 0.0 109.275 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -173.69 141.22 0.83 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.491 1.119 . . . . 0.0 109.279 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 8.9 p-10 -57.34 135.22 56.5 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.444 1.09 . . . . 0.0 109.287 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . 0.444 ' OH ' ' NE2' ' A' ' 23' ' ' GLN . 44.9 t80 -125.65 161.03 28.17 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.494 1.121 . . . . 0.0 110.954 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -134.44 111.99 10.58 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.463 1.102 . . . . 0.0 109.283 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 0.718 ' HB1' ' HB2' ' A' ' 23' ' ' GLN . . . -52.95 127.01 22.29 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.519 1.137 . . . . 0.0 109.309 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -86.58 -22.1 26.46 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.466 1.104 . . . . 0.0 110.419 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -119.54 175.58 5.78 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.486 1.116 . . . . 0.0 109.311 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -90.76 18.01 7.0 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.476 1.11 . . . . 0.0 110.268 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 73.2 p -125.01 14.34 8.47 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.474 1.109 . . . . 0.0 110.399 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . 0.718 ' HB2' ' HB1' ' A' ' 18' ' ' ALA . 75.1 mt-30 -119.29 160.48 22.14 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.446 1.091 . . . . 0.0 110.352 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.546 HD22 ' HG3' ' A' ' 47' ' ' ARG . 30.8 mt -106.98 139.42 41.41 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.517 1.136 . . . . 0.0 109.321 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . 0.404 ' O ' ' NH1' ' A' ' 47' ' ' ARG . 5.3 m -110.27 129.56 55.71 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.492 1.12 . . . . 0.0 109.995 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . 0.657 ' CB ' HD11 ' A' ' 32' ' ' ILE . 3.1 p90 -141.0 175.57 9.51 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.524 1.14 . . . . 0.0 111.018 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.576 HD12 ' N ' ' A' ' 28' ' ' ARG . 0.1 OUTLIER -117.66 143.1 46.49 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.507 1.13 . . . . 0.0 109.346 179.938 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . 0.576 ' N ' HD12 ' A' ' 27' ' ' LEU . 8.1 ttt180 -41.15 122.32 1.78 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.475 1.11 . . . . 0.0 110.312 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . 0.627 ' HA2' HG13 ' A' ' 11' ' ' VAL . . . 105.79 -31.5 8.36 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.45 1.094 . . . . 0.0 110.989 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 7.7 mt-10 -47.52 133.32 13.16 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.506 0.768 . . . . 0.0 110.307 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 14.7 mmtp -77.16 99.11 5.29 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.492 1.12 . . . . 0.0 109.287 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.657 HD11 ' CB ' ' A' ' 26' ' ' PHE . 5.1 mm -92.42 133.84 32.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.483 1.114 . . . . 0.0 109.329 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.467 ' CD1' ' HA3' ' A' ' 7' ' ' GLY . 0.1 OUTLIER -95.68 117.9 31.36 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.459 1.099 . . . . 0.0 109.331 179.984 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.62 ' CD1' HD11 ' A' ' 54' ' ' ILE . 37.0 mm -92.19 77.58 1.26 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.499 1.124 . . . . 0.0 109.347 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.636 HD22 ' HB2' ' A' ' 46' ' ' GLU . 7.8 mp -46.02 -67.54 0.27 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.471 1.107 . . . . 0.0 109.333 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -129.52 156.37 44.27 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.529 1.143 . . . . 0.0 110.313 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . 0.42 ' O ' ' N ' ' A' ' 39' ' ' THR . 68.5 mt-30 -95.19 -52.91 3.99 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.439 1.087 . . . . 0.0 110.309 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 53.5 m 67.53 -67.67 0.17 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.443 1.089 . . . . 0.0 110.404 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . 0.42 ' N ' ' O ' ' A' ' 37' ' ' GLN . 1.1 p -120.23 162.38 19.48 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.531 1.144 . . . . 0.0 110.401 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -88.45 7.39 33.03 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.424 1.078 . . . . 0.0 109.331 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -121.95 -42.28 2.4 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.492 1.12 . . . . 0.0 109.312 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 78.0 m95 -115.95 127.95 55.37 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.542 1.151 . . . . 0.0 107.999 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 45.3 m0 -113.71 157.6 21.99 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.534 1.146 . . . . 0.0 107.993 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' TRP . . . . . 0.485 ' CE3' ' CE2' ' A' ' 53' ' ' TYR . 41.5 t-105 -104.79 108.75 20.4 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.52 1.138 . . . . 0.0 108.021 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -105.02 174.72 21.68 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.512 1.133 . . . . 0.0 110.979 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . 0.636 ' HB2' HD22 ' A' ' 35' ' ' LEU . 30.6 tt0 -142.6 120.56 12.05 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.488 0.757 . . . . 0.0 110.266 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . 0.546 ' HG3' HD22 ' A' ' 24' ' ' LEU . 5.8 mmm-85 -91.62 -173.06 3.43 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.479 1.112 . . . . 0.0 110.282 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -63.7 103.4 0.55 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 0.0 109.337 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 62.49 9.37 24.27 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.498 1.124 . . . . 0.0 111.002 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 1.2 m -114.45 162.97 15.98 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 108.296 -1.001 . . . . 0.0 108.296 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 11.8 p -148.55 112.87 5.27 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.522 1.139 . . . . 0.0 108.291 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -148.08 -178.7 23.47 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.477 1.11 . . . . 0.0 110.972 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' TYR . . . . . 0.485 ' CE2' ' CE3' ' A' ' 44' ' ' TRP . 4.2 m-85 -98.15 149.22 22.76 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.502 0.766 . . . . 0.0 111.012 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . 0.62 HD11 ' CD1' ' A' ' 34' ' ' ILE . 4.7 pt -131.6 150.05 75.22 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.529 1.143 . . . . 0.0 109.27 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.09 169.21 23.08 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.475 1.776 . . . . 0.0 111.012 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -113.33 85.63 2.23 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.535 1.147 . . . . 0.0 109.257 -179.925 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER 172.57 -39.23 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.503 1.127 . . . . 0.0 109.321 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 7.0 m80 -69.86 -25.58 63.79 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.543 1.152 . . . . 0.0 109.6 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 15.8 m . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.458 1.099 . . . . 0.0 109.286 179.992 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . 0.471 ' HA3' ' CD1' ' A' ' 33' ' ' LEU . . . . . . . . 0 CA--C 1.53 1.015 0 N-CA-C 110.983 -0.847 . . . . 0.0 110.983 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -114.52 111.94 22.17 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.52 0.776 . . . . 0.0 110.299 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . 0.472 ' HG2' HD22 ' A' ' 33' ' ' LEU . 0.0 OUTLIER -76.75 128.09 33.99 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.472 1.107 . . . . 0.0 110.328 -179.998 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 7.0 m-85 -137.64 164.18 29.43 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.529 1.143 . . . . 0.0 110.938 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . 0.432 HG22 ' O ' ' A' ' 29' ' ' GLY . 2.2 t -123.08 139.97 48.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.487 1.117 . . . . 0.0 109.291 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -71.68 118.37 14.44 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.448 1.093 . . . . 0.0 109.31 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 2.9 pt -67.25 -19.96 26.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.482 1.114 . . . . 0.0 109.231 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -162.12 146.02 12.16 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.479 1.112 . . . . 0.0 109.328 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 2.5 p-10 -55.88 140.54 42.31 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.51 1.131 . . . . 0.0 109.283 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 33.9 t80 -132.13 159.67 38.26 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.537 1.148 . . . . 0.0 110.979 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -136.77 115.34 11.96 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.505 1.128 . . . . 0.0 109.296 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -52.94 130.52 33.78 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.52 1.138 . . . . 0.0 109.311 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -93.17 -17.89 23.2 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.511 1.132 . . . . 0.0 110.376 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 90.2 m-20 -127.85 174.95 8.71 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.492 1.12 . . . . 0.0 109.33 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 30.9 tt0 -85.75 12.0 9.88 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.434 1.084 . . . . 0.0 110.252 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 68.3 p -124.17 46.44 2.27 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.525 1.141 . . . . 0.0 110.397 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 51.7 mt-30 -155.56 157.44 36.84 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.44 1.087 . . . . 0.0 110.301 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.546 HD13 ' CG ' ' A' ' 47' ' ' ARG . 81.6 mt -103.9 146.11 29.14 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.546 1.154 . . . . 0.0 109.323 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 12.5 p -114.52 131.37 56.67 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 0.0 109.966 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . 0.555 ' CB ' HD11 ' A' ' 32' ' ' ILE . 2.2 p90 -141.29 -179.0 5.87 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.479 1.112 . . . . 0.0 111.021 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.593 HD12 ' N ' ' A' ' 28' ' ' ARG . 0.1 OUTLIER -126.64 144.94 50.75 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.482 1.114 . . . . 0.0 109.306 179.949 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . 0.593 ' N ' HD12 ' A' ' 27' ' ' LEU . 8.6 ttt180 -39.39 123.57 1.46 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.481 1.113 . . . . 0.0 110.263 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . 0.432 ' O ' HG22 ' A' ' 11' ' ' VAL . . . 104.31 -32.66 7.29 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.487 1.117 . . . . 0.0 111.035 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 4.9 mt-10 -46.17 131.55 10.16 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.509 0.77 . . . . 0.0 110.304 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 11.4 mmtp -76.78 102.96 6.48 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.501 1.126 . . . . 0.0 109.308 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.555 HD11 ' CB ' ' A' ' 26' ' ' PHE . 5.0 mm -97.9 137.46 25.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.472 1.107 . . . . 0.0 109.357 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.472 HD22 ' HG2' ' A' ' 9' ' ' GLU . 0.2 OUTLIER -99.89 133.64 43.96 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.457 1.098 . . . . 0.0 109.232 -179.934 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.593 ' CD1' HD11 ' A' ' 54' ' ' ILE . 14.3 mm -106.28 79.75 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.487 1.117 . . . . 0.0 109.314 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.461 ' CD2' ' HB2' ' A' ' 46' ' ' GLU . 5.8 mp -48.13 -67.13 0.3 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.466 1.104 . . . . 0.0 109.274 -179.946 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -135.47 172.22 13.33 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.493 1.12 . . . . 0.0 110.274 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . 0.438 ' O ' ' N ' ' A' ' 39' ' ' THR . 73.4 mt-30 -99.76 -38.18 8.79 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.531 1.144 . . . . 0.0 110.296 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . 0.597 HG21 ' OH ' ' A' ' 53' ' ' TYR . 2.7 m 68.97 -62.17 0.4 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.508 1.13 . . . . 0.0 110.403 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . 0.438 ' N ' ' O ' ' A' ' 37' ' ' GLN . 1.3 p -122.58 -93.19 0.52 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.514 1.134 . . . . 0.0 110.361 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . 0.436 ' O ' ' NE1' ' A' ' 43' ' ' TRP . . . -169.99 -55.57 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.482 1.113 . . . . 0.0 109.315 -179.939 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -73.75 -34.54 64.78 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.531 1.144 . . . . 0.0 109.31 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 93.6 m95 -108.65 127.01 53.59 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.551 1.157 . . . . 0.0 107.996 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' TRP . . . . . 0.436 ' NE1' ' O ' ' A' ' 40' ' ' ALA . 45.3 m0 -114.82 152.66 31.8 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 107.97 -1.122 . . . . 0.0 107.97 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' TRP . . . . . 0.517 ' CE3' ' CE2' ' A' ' 53' ' ' TYR . 64.6 t-105 -100.23 104.91 16.44 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.504 1.128 . . . . 0.0 107.988 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -100.75 -172.67 29.2 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.526 1.141 . . . . 0.0 110.987 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . 0.461 ' HB2' ' CD2' ' A' ' 35' ' ' LEU . 19.1 tt0 -153.81 120.56 5.6 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.516 0.774 . . . . 0.0 110.312 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . 0.546 ' CG ' HD13 ' A' ' 24' ' ' LEU . 2.5 mmm180 -92.24 -175.93 4.2 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.461 1.1 . . . . 0.0 110.307 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -59.42 103.59 0.2 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.481 1.113 . . . . 0.0 109.262 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 62.91 8.31 21.47 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.494 1.122 . . . . 0.0 110.947 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' CYS . . . . . 0.405 ' C ' ' HG ' ' A' ' 51' ' ' CYS . 0.8 OUTLIER -114.79 161.53 18.07 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 108.259 -1.015 . . . . 0.0 108.259 -179.982 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' CYS . . . . . 0.405 ' HG ' ' C ' ' A' ' 50' ' ' CYS . 11.5 m -148.74 112.81 5.19 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.526 1.141 . . . . 0.0 108.259 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -148.33 -176.92 22.2 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.483 1.115 . . . . 0.0 111.017 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' TYR . . . . . 0.597 ' OH ' HG21 ' A' ' 38' ' ' THR . 2.4 m-85 -95.19 150.97 19.63 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.573 0.808 . . . . 0.0 110.944 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . 0.593 HD11 ' CD1' ' A' ' 34' ' ' ILE . 3.8 pt -133.34 151.94 78.45 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.496 1.122 . . . . 0.0 109.307 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 170.63 19.98 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.514 1.797 . . . . 0.0 110.971 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -114.56 86.69 2.48 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.513 1.133 . . . . 0.0 109.291 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER 164.72 -41.18 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.438 1.086 . . . . 0.0 109.316 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 24.0 m-70 -65.02 -27.57 68.9 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.471 1.107 . . . . 0.0 109.629 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 16.1 m . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.512 1.132 . . . . 0.0 109.297 179.997 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . 0.462 ' HA3' ' CD1' ' A' ' 33' ' ' LEU . . . . . . . . 0 CA--C 1.53 0.994 0 N-CA-C 110.996 -0.842 . . . . 0.0 110.996 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -120.25 122.23 40.44 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.486 0.757 . . . . 0.0 110.282 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . 0.446 ' HG2' HD22 ' A' ' 33' ' ' LEU . 2.0 mt-10 -83.35 122.6 28.69 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.534 1.146 . . . . 0.0 110.275 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 9.5 m-85 -131.93 167.5 19.51 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.507 1.129 . . . . 0.0 111.021 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . 0.625 HG13 ' HA2' ' A' ' 29' ' ' GLY . 2.4 t -124.35 138.27 54.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.525 1.141 . . . . 0.0 109.302 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -72.53 118.82 15.92 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.438 1.086 . . . . 0.0 109.335 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 2.7 pt -70.19 -14.91 18.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.442 1.089 . . . . 0.0 109.304 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -165.29 139.37 4.8 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.488 1.118 . . . . 0.0 109.319 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 3.2 p-10 -55.4 140.71 39.0 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.488 1.118 . . . . 0.0 109.314 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 22.6 t80 -132.41 157.62 44.07 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.471 1.107 . . . . 0.0 111.013 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -132.15 114.03 14.01 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.542 1.151 . . . . 0.0 109.285 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 0.568 ' HB1' ' HB2' ' A' ' 23' ' ' GLN . . . -53.03 119.77 5.08 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.557 1.161 . . . . 0.0 109.33 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 43.6 p -80.7 -15.71 55.81 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.491 1.119 . . . . 0.0 110.393 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -128.58 178.68 6.14 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.522 1.139 . . . . 0.0 109.288 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 19.8 pt-20 -94.22 17.39 12.79 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.547 1.154 . . . . 0.0 110.314 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 60.5 p -125.08 27.1 6.78 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.124 . . . . 0.0 110.368 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . 0.568 ' HB2' ' HB1' ' A' ' 18' ' ' ALA . 85.7 mt-30 -134.46 169.2 17.61 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.522 1.139 . . . . 0.0 110.275 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.776 HD13 ' HG2' ' A' ' 47' ' ' ARG . 25.0 mt -112.87 139.33 48.6 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.487 1.117 . . . . 0.0 109.329 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 13.5 m -110.28 130.33 55.57 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.469 1.105 . . . . 0.0 109.995 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . 0.655 ' CB ' HD11 ' A' ' 32' ' ' ILE . 3.3 p90 -141.13 173.65 11.28 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.522 1.139 . . . . 0.0 111.017 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.603 HD12 ' N ' ' A' ' 28' ' ' ARG . 0.1 OUTLIER -117.51 142.13 47.53 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.532 1.145 . . . . 0.0 109.273 -179.95 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . 0.603 ' N ' HD12 ' A' ' 27' ' ' LEU . 6.4 ttt-85 -38.88 123.15 1.25 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.505 1.128 . . . . 0.0 110.285 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . 0.625 ' HA2' HG13 ' A' ' 11' ' ' VAL . . . 103.72 -33.4 6.61 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.525 1.141 . . . . 0.0 111.0 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 5.3 mt-10 -43.88 132.48 5.24 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.445 0.732 . . . . 0.0 110.336 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 4.4 mptt -77.02 99.94 5.47 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.539 1.149 . . . . 0.0 109.289 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.655 HD11 ' CB ' ' A' ' 26' ' ' PHE . 5.7 mm -94.03 134.76 30.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.492 1.12 . . . . 0.0 109.345 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.462 ' CD1' ' HA3' ' A' ' 7' ' ' GLY . 0.1 OUTLIER -97.41 117.92 32.72 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.522 1.139 . . . . 0.0 109.277 -179.971 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.573 ' CD1' HD11 ' A' ' 54' ' ' ILE . 22.7 mm -91.9 78.49 1.39 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.454 1.096 . . . . 0.0 109.277 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.49 HD13 ' CB ' ' A' ' 46' ' ' GLU . 6.9 mp -45.71 -68.32 0.21 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.503 1.127 . . . . 0.0 109.31 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 5.0 mtt180 -130.04 158.77 38.69 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.47 1.106 . . . . 0.0 110.329 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . 0.44 ' O ' ' N ' ' A' ' 39' ' ' THR . 4.2 mt-30 -92.6 -50.47 5.58 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.518 1.136 . . . . 0.0 110.268 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 28.6 m 67.78 -66.72 0.2 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.517 1.135 . . . . 0.0 110.364 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . 0.44 ' N ' ' O ' ' A' ' 37' ' ' GLN . 2.2 p -127.24 162.73 25.51 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.454 1.096 . . . . 0.0 110.385 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -88.32 10.44 19.77 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.496 1.123 . . . . 0.0 109.309 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -121.53 -42.07 2.46 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.531 1.145 . . . . 0.0 109.325 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 87.0 m95 -121.25 132.55 54.88 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.514 1.134 . . . . 0.0 107.98 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' TRP . . . . . 0.411 ' CD1' ' HB2' ' A' ' 56' ' ' ALA . 45.6 m0 -113.95 160.55 18.7 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 107.977 -1.12 . . . . 0.0 107.977 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 41.9 t-105 -107.7 109.21 20.75 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.509 1.13 . . . . 0.0 108.037 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -107.54 169.71 14.9 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.472 1.108 . . . . 0.0 111.03 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . 0.49 ' CB ' HD13 ' A' ' 35' ' ' LEU . 27.3 tt0 -135.85 120.65 18.49 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.475 0.75 . . . . 0.0 110.322 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . 0.776 ' HG2' HD13 ' A' ' 24' ' ' LEU . 7.3 mmm180 -90.99 -172.92 3.5 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.529 1.143 . . . . 0.0 110.292 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -63.39 103.52 0.52 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.479 1.112 . . . . 0.0 109.316 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 62.41 9.16 22.71 Favored Glycine 0 CA--C 1.529 0.949 0 O-C-N 124.502 1.126 . . . . 0.0 111.042 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -114.54 163.03 15.95 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 108.281 -1.007 . . . . 0.0 108.281 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 15.8 p -148.51 111.6 4.89 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.507 1.129 . . . . 0.0 108.255 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -148.57 -176.97 22.43 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.467 1.104 . . . . 0.0 111.038 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 5.2 m-85 -95.11 162.83 13.55 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.503 0.767 . . . . 0.0 110.984 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . 0.573 HD11 ' CD1' ' A' ' 34' ' ' ILE . 4.4 pt -146.76 150.34 39.24 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.522 1.139 . . . . 0.0 109.32 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' PRO . . . . . 0.402 ' HD3' ' HA ' ' A' ' 54' ' ' ILE . 18.1 Cg_endo -75.02 155.69 42.83 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.523 1.802 . . . . 0.0 110.979 -179.95 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . 0.411 ' HB2' ' CD1' ' A' ' 43' ' ' TRP . . . -100.77 80.14 2.14 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.499 1.124 . . . . 0.0 109.272 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 50.6 t-20 177.38 -41.53 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.57 1.169 . . . . 0.0 109.289 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 4.7 m-70 -65.43 -27.38 68.48 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.554 1.159 . . . . 0.0 109.604 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 17.9 m . . . . . 0 C--N 1.325 -0.495 0 O-C-N 124.472 1.108 . . . . 0.0 109.3 179.989 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . 0.473 ' HA3' ' CD1' ' A' ' 33' ' ' LEU . . . . . . . . 0 CA--C 1.53 1.001 0 N-CA-C 111.007 -0.837 . . . . 0.0 111.007 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -111.6 106.71 15.63 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.504 0.767 . . . . 0.0 110.264 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . 0.513 ' HG3' HD22 ' A' ' 33' ' ' LEU . 0.2 OUTLIER -74.51 130.47 39.66 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.489 1.118 . . . . 0.0 110.322 179.994 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 7.3 m-85 -138.85 166.47 24.36 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.456 1.098 . . . . 0.0 111.012 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . 0.521 HG22 ' O ' ' A' ' 29' ' ' GLY . 2.2 t -124.07 140.64 46.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.493 1.121 . . . . 0.0 109.323 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . 0.4 ' O ' ' HA ' ' A' ' 28' ' ' ARG . . . -71.8 118.09 14.21 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.478 1.111 . . . . 0.0 109.317 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 2.3 pt -68.45 -13.72 17.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.482 1.114 . . . . 0.0 109.303 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -164.38 155.99 15.94 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.538 1.149 . . . . 0.0 109.332 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 1.6 p-10 -58.37 148.76 26.71 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.521 1.138 . . . . 0.0 109.333 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . 0.441 ' OH ' ' NE2' ' A' ' 23' ' ' GLN . 48.8 t80 -133.9 158.35 43.67 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.53 1.144 . . . . 0.0 110.994 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -144.09 104.09 4.09 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.48 1.113 . . . . 0.0 109.356 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -53.88 131.98 40.98 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.535 1.147 . . . . 0.0 109.32 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -95.58 -8.31 35.37 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.455 1.097 . . . . 0.0 110.403 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 17.2 m-20 -133.72 173.06 11.93 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.514 1.134 . . . . 0.0 109.295 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 7.2 pt-20 -93.24 17.92 10.36 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.468 1.105 . . . . 0.0 110.327 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 80.5 p -121.43 13.72 11.05 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.516 1.135 . . . . 0.0 110.4 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . 0.441 ' NE2' ' OH ' ' A' ' 16' ' ' TYR . 65.9 mt-30 -121.7 173.42 7.46 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.5 1.125 . . . . 0.0 110.264 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.566 HD13 ' CG ' ' A' ' 47' ' ' ARG . 17.2 mt -114.13 140.54 48.43 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.454 1.096 . . . . 0.0 109.272 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 16.3 p -109.83 130.69 55.49 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.488 1.117 . . . . 0.0 110.001 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . 0.57 ' CB ' HD11 ' A' ' 32' ' ' ILE . 2.6 p90 -142.92 178.5 7.63 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.504 1.127 . . . . 0.0 110.97 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.652 HD12 ' N ' ' A' ' 28' ' ' ARG . 0.1 OUTLIER -125.67 145.79 50.01 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.555 1.159 . . . . 0.0 109.295 179.997 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . 0.652 ' N ' HD12 ' A' ' 27' ' ' LEU . 12.0 ttt-85 -43.91 112.15 0.37 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.466 1.104 . . . . 0.0 110.319 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . 0.521 ' O ' HG22 ' A' ' 11' ' ' VAL . . . 117.97 -32.75 5.18 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.507 1.129 . . . . 0.0 111.005 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -49.46 136.19 16.74 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.497 0.763 . . . . 0.0 110.312 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -79.74 102.44 9.02 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.511 1.132 . . . . 0.0 109.328 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.57 HD11 ' CB ' ' A' ' 26' ' ' PHE . 4.5 mm -95.74 124.74 48.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.497 1.123 . . . . 0.0 109.3 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.513 HD22 ' HG3' ' A' ' 9' ' ' GLU . 0.1 OUTLIER -87.99 117.86 27.14 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.489 1.118 . . . . 0.0 109.287 -179.974 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.556 ' CD1' HD11 ' A' ' 54' ' ' ILE . 19.1 mm -92.51 78.91 1.37 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.5 1.125 . . . . 0.0 109.292 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.574 HD22 ' HB2' ' A' ' 46' ' ' GLU . 7.3 mp -46.39 -67.79 0.25 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.558 1.161 . . . . 0.0 109.249 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 2.1 mtt-85 -135.41 173.0 12.2 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.508 1.13 . . . . 0.0 110.307 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . 0.508 ' HG2' ' CG ' ' A' ' 43' ' ' TRP . 7.7 mt-30 -133.87 73.02 1.48 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.451 1.094 . . . . 0.0 110.307 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 81.9 m -38.33 -32.9 0.08 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.511 1.132 . . . . 0.0 110.409 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . 0.402 ' N ' ' O ' ' A' ' 37' ' ' GLN . 2.2 p -147.12 178.68 8.19 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.513 1.133 . . . . 0.0 110.395 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -91.43 6.82 43.97 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.487 1.117 . . . . 0.0 109.281 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -121.16 -41.99 2.5 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.541 1.151 . . . . 0.0 109.3 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 82.1 m95 -113.12 126.15 55.14 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.476 1.11 . . . . 0.0 108.006 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' TRP . . . . . 0.508 ' CG ' ' HG2' ' A' ' 37' ' ' GLN . 47.5 m0 -113.75 153.52 28.88 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.546 1.154 . . . . 0.0 107.994 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 44.3 t-105 -101.86 105.03 15.8 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 107.988 -1.116 . . . . 0.0 107.988 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -100.62 175.56 26.76 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.518 1.137 . . . . 0.0 111.022 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . 0.574 ' HB2' HD22 ' A' ' 35' ' ' LEU . 22.6 tt0 -144.64 120.64 10.7 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.543 0.79 . . . . 0.0 110.29 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . 0.566 ' CG ' HD13 ' A' ' 24' ' ' LEU . 1.3 mmm180 -90.97 -172.88 3.49 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.522 1.139 . . . . 0.0 110.356 179.95 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -63.44 103.82 0.56 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.468 1.105 . . . . 0.0 109.284 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 62.59 9.52 25.77 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.55 1.156 . . . . 0.0 111.038 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 1.3 m -114.26 163.35 15.38 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 108.29 -1.004 . . . . 0.0 108.29 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 15.8 p -148.5 112.57 5.19 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.487 1.117 . . . . 0.0 108.323 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -148.32 -177.08 22.32 Favored Glycine 0 CA--C 1.529 0.936 0 O-C-N 124.502 1.126 . . . . 0.0 111.014 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 2.3 m-85 -98.93 159.23 15.1 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.445 0.732 . . . . 0.0 111.022 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . 0.556 HD11 ' CD1' ' A' ' 34' ' ' ILE . 4.5 pt -143.74 150.71 51.23 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.529 1.143 . . . . 0.0 109.297 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' PRO . . . . . 0.402 ' HD3' ' HA ' ' A' ' 54' ' ' ILE . 18.2 Cg_endo -75.0 172.65 15.95 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.499 1.789 . . . . 0.0 111.022 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -117.91 87.93 2.81 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.572 1.17 . . . . 0.0 109.31 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 2.3 t30 169.6 -36.05 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.479 1.112 . . . . 0.0 109.285 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 2.9 m-70 -73.49 -24.41 60.18 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.477 1.11 . . . . 0.0 109.631 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 9.4 m . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.549 1.155 . . . . 0.0 109.334 179.963 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . 0.472 ' HA3' ' CD1' ' A' ' 33' ' ' LEU . . . . . . . . 0 CA--C 1.53 1.02 0 N-CA-C 110.949 -0.86 . . . . 0.0 110.949 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -122.39 123.69 41.93 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.506 0.768 . . . . 0.0 110.261 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . 0.514 ' HG3' HD22 ' A' ' 33' ' ' LEU . 0.1 OUTLIER -84.23 98.02 9.73 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.523 1.139 . . . . 0.0 110.297 179.973 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 9.7 m-85 -99.02 158.24 15.79 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.478 1.111 . . . . 0.0 110.988 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . 0.589 HG13 ' HA2' ' A' ' 29' ' ' GLY . 2.3 t -115.11 135.83 53.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.519 1.137 . . . . 0.0 109.275 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . 0.41 ' O ' ' HA ' ' A' ' 28' ' ' ARG . . . -71.63 118.43 14.45 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.481 1.113 . . . . 0.0 109.263 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.438 ' N ' ' O ' ' A' ' 58' ' ' HIS . 3.1 pt -70.97 -15.15 18.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.509 1.131 . . . . 0.0 109.309 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -159.51 156.39 28.11 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.436 1.085 . . . . 0.0 109.323 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 2.8 p30 -71.83 141.76 49.63 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.515 1.134 . . . . 0.0 109.278 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 74.7 t80 -128.71 172.13 11.54 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.501 1.126 . . . . 0.0 110.948 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -140.43 144.15 35.98 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.5 1.125 . . . . 0.0 109.29 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -89.78 112.41 23.7 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.535 1.147 . . . . 0.0 109.334 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 14.9 p -112.64 5.95 18.04 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.512 1.132 . . . . 0.0 110.371 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -125.0 178.77 5.34 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.504 1.127 . . . . 0.0 109.287 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 10.7 tt0 -88.82 -17.11 30.4 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.536 1.147 . . . . 0.0 110.249 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 40.4 p -123.08 58.55 1.1 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.526 1.141 . . . . 0.0 110.407 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 82.5 mt-30 -144.62 156.01 43.91 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.537 1.148 . . . . 0.0 110.311 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.742 HD13 ' HG2' ' A' ' 47' ' ' ARG . 28.0 mt -117.62 143.72 45.87 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.559 1.162 . . . . 0.0 109.254 -179.95 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 13.1 p -112.59 132.03 55.33 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.463 1.102 . . . . 0.0 109.971 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . 0.508 ' CB ' HD11 ' A' ' 32' ' ' ILE . 3.5 p90 -144.16 176.8 9.05 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.504 1.128 . . . . 0.0 111.015 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.661 HD12 ' N ' ' A' ' 28' ' ' ARG . 0.1 OUTLIER -119.51 144.78 46.83 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.554 1.159 . . . . 0.0 109.308 179.965 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . 0.661 ' N ' HD12 ' A' ' 27' ' ' LEU . 5.7 ttt180 -43.23 110.83 0.21 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.519 1.137 . . . . 0.0 110.281 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . 0.589 ' HA2' HG13 ' A' ' 11' ' ' VAL . . . 119.66 -36.81 3.34 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.529 1.143 . . . . 0.0 110.993 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -42.24 132.33 3.4 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.556 0.798 . . . . 0.0 110.294 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 12.5 mmtp -77.1 100.85 5.86 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.493 1.121 . . . . 0.0 109.289 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.508 HD11 ' CB ' ' A' ' 26' ' ' PHE . 4.7 mm -94.18 133.93 33.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.481 1.113 . . . . 0.0 109.292 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.514 HD22 ' HG3' ' A' ' 9' ' ' GLU . 0.1 OUTLIER -96.45 125.27 40.83 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.484 1.115 . . . . 0.0 109.279 179.989 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.631 HD13 HD11 ' A' ' 54' ' ' ILE . 42.0 mm -101.94 92.53 2.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.501 1.126 . . . . 0.0 109.329 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.739 HD21 ' CB ' ' A' ' 46' ' ' GLU . 0.3 OUTLIER -65.3 -65.13 0.71 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.513 1.133 . . . . 0.0 109.282 -179.94 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 49.9 mtt85 -129.24 174.74 9.31 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.485 1.115 . . . . 0.0 110.275 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . 0.5 ' HG2' ' CG ' ' A' ' 43' ' ' TRP . 58.3 mt-30 -142.94 74.73 1.45 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.457 1.098 . . . . 0.0 110.309 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . 0.4 ' C ' ' O ' ' A' ' 37' ' ' GLN . 54.2 m -38.45 -43.71 0.86 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.447 1.092 . . . . 0.0 110.418 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 5.7 p -134.61 173.86 11.2 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.485 1.116 . . . . 0.0 110.366 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -86.48 8.22 22.77 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.518 1.136 . . . . 0.0 109.295 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -122.24 -42.31 2.37 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.529 1.143 . . . . 0.0 109.294 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 95.3 m95 -110.14 124.92 52.41 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.525 1.141 . . . . 0.0 108.017 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' TRP . . . . . 0.5 ' CG ' ' HG2' ' A' ' 37' ' ' GLN . 46.0 m0 -114.63 158.72 21.35 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.491 1.119 . . . . 0.0 108.021 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' TRP . . . . . 0.412 ' CE3' ' CD2' ' A' ' 53' ' ' TYR . 68.9 t-105 -108.25 119.85 40.69 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.552 1.158 . . . . 0.0 108.009 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . 0.458 ' HA2' HD22 ' A' ' 35' ' ' LEU . . . -117.71 -173.92 16.48 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.462 1.102 . . . . 0.0 111.024 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . 0.739 ' CB ' HD21 ' A' ' 35' ' ' LEU . 28.4 tt0 -146.58 120.66 9.44 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.5 0.765 . . . . 0.0 110.254 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . 0.742 ' HG2' HD13 ' A' ' 24' ' ' LEU . 0.0 OUTLIER -91.68 -173.82 3.66 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.462 1.101 . . . . 0.0 110.281 179.98 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -61.77 103.32 0.33 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.474 1.109 . . . . 0.0 109.277 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 62.39 8.28 18.35 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.529 1.143 . . . . 0.0 111.0 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 1.3 m -115.06 163.44 15.61 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 108.283 -1.006 . . . . 0.0 108.283 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 12.7 p -148.59 111.77 4.92 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.513 1.133 . . . . 0.0 108.283 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -148.59 -177.07 22.53 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.502 1.126 . . . . 0.0 111.018 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' TYR . . . . . 0.579 ' O ' HG23 ' A' ' 54' ' ' ILE . 2.9 m-85 -91.17 173.97 7.65 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.488 0.758 . . . . 0.0 110.983 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . 0.631 HD11 HD13 ' A' ' 34' ' ' ILE . 3.1 pt -157.27 152.47 21.68 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.454 1.096 . . . . 0.0 109.285 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 158.21 42.31 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.524 1.802 . . . . 0.0 110.993 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -106.27 83.63 1.91 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.454 1.096 . . . . 0.0 109.309 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 168.75 -44.43 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.5 1.125 . . . . 0.0 109.331 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' HIS . . . . . 0.438 ' O ' ' N ' ' A' ' 13' ' ' ILE . 1.2 m80 -63.27 -16.96 61.89 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.525 1.141 . . . . 0.0 109.648 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 15.4 m . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.537 1.148 . . . . 0.0 109.282 179.963 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . 0.452 ' HA3' ' CD1' ' A' ' 33' ' ' LEU . . . . . . . . 0 CA--C 1.529 0.964 0 N-CA-C 111.021 -0.832 . . . . 0.0 111.021 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -105.98 122.29 45.83 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.492 0.76 . . . . 0.0 110.294 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . 0.482 ' HG3' HD22 ' A' ' 33' ' ' LEU . 0.0 OUTLIER -86.46 123.3 31.53 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.466 1.104 . . . . 0.0 110.255 -179.985 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 10.3 m-85 -135.63 167.78 20.49 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.494 1.121 . . . . 0.0 111.044 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . 0.527 HG13 ' CA ' ' A' ' 29' ' ' GLY . 2.5 t -125.46 141.33 45.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.502 1.126 . . . . 0.0 109.29 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . 0.576 ' HB2' ' CD1' ' A' ' 26' ' ' PHE . . . -72.75 117.99 15.13 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.532 1.145 . . . . 0.0 109.337 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.429 ' N ' ' O ' ' A' ' 58' ' ' HIS . 3.2 pt -66.59 -13.65 16.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.491 1.12 . . . . 0.0 109.331 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -166.09 153.14 9.75 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.124 . . . . 0.0 109.326 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 3.5 p-10 -64.99 144.76 57.08 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.468 1.105 . . . . 0.0 109.295 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . 0.485 ' CG ' ' N ' ' A' ' 17' ' ' ALA . 32.1 t80 -132.51 166.5 21.92 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.507 1.13 . . . . 0.0 111.001 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . 0.485 ' N ' ' CG ' ' A' ' 16' ' ' TYR . . . -139.37 111.85 7.68 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.471 1.107 . . . . 0.0 109.314 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 0.432 ' HA ' ' CE2' ' A' ' 16' ' ' TYR . . . -54.89 123.83 14.72 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.517 1.136 . . . . 0.0 109.289 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -87.77 -8.75 55.56 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.515 1.134 . . . . 0.0 110.416 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -134.2 171.67 13.93 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.51 1.131 . . . . 0.0 109.33 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -90.43 18.03 6.65 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.498 1.124 . . . . 0.0 110.307 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 69.1 p -122.09 -1.25 9.31 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.546 1.153 . . . . 0.0 110.401 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . 0.405 ' NE2' ' OH ' ' A' ' 16' ' ' TYR . 60.4 mt-30 -105.9 162.1 13.87 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.461 1.101 . . . . 0.0 110.288 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.583 HD13 ' CG ' ' A' ' 47' ' ' ARG . 21.7 mt -104.04 146.85 28.12 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.494 1.122 . . . . 0.0 109.315 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 14.6 p -119.25 129.55 54.98 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.533 1.145 . . . . 0.0 109.965 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . 0.6 ' CB ' HD11 ' A' ' 32' ' ' ILE . 5.7 p90 -140.89 -179.24 5.95 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.511 1.132 . . . . 0.0 111.001 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.57 HD12 ' N ' ' A' ' 28' ' ' ARG . 0.1 OUTLIER -124.44 142.83 51.01 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.549 1.156 . . . . 0.0 109.333 179.966 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . 0.57 ' N ' HD12 ' A' ' 27' ' ' LEU . 1.5 ttt-85 -40.15 126.62 2.16 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.551 1.157 . . . . 0.0 110.339 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . 0.527 ' CA ' HG13 ' A' ' 11' ' ' VAL . . . 101.4 -24.99 29.75 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.498 1.124 . . . . 0.0 110.991 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 4.4 mt-10 -53.83 132.53 41.76 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.49 0.759 . . . . 0.0 110.305 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -77.24 97.82 4.94 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.49 1.119 . . . . 0.0 109.336 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.6 HD11 ' CB ' ' A' ' 26' ' ' PHE . 4.4 mm -92.34 138.42 19.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.482 1.114 . . . . 0.0 109.287 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.482 HD22 ' HG3' ' A' ' 9' ' ' GLU . 0.1 OUTLIER -100.93 117.96 36.02 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.448 1.093 . . . . 0.0 109.258 -179.954 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.724 ' CD1' HD11 ' A' ' 54' ' ' ILE . 31.0 mm -92.32 78.86 1.39 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.517 1.136 . . . . 0.0 109.309 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.451 ' CD1' ' HB3' ' A' ' 46' ' ' GLU . 7.8 mp -45.39 -67.83 0.25 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.456 1.098 . . . . 0.0 109.267 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 42.5 mtt180 -134.41 172.32 13.06 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.538 1.149 . . . . 0.0 110.294 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . 0.556 HE21 HG21 ' A' ' 34' ' ' ILE . 97.1 mt-30 -131.56 66.5 1.54 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.529 1.143 . . . . 0.0 110.29 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . 0.767 HG22 HG23 ' A' ' 39' ' ' THR . 1.8 m -38.28 -39.93 0.48 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.404 1.065 . . . . 0.0 110.432 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . 0.767 HG23 HG22 ' A' ' 38' ' ' THR . 69.8 p -135.89 177.98 7.4 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.499 1.125 . . . . 0.0 110.382 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -93.11 -3.59 53.82 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.547 1.154 . . . . 0.0 109.342 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 31.8 m-20 -114.28 -35.99 4.81 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.524 1.14 . . . . 0.0 109.287 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 83.6 m95 -113.11 125.82 54.78 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 107.999 -1.111 . . . . 0.0 107.999 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 44.3 m0 -113.9 148.67 36.37 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.501 1.126 . . . . 0.0 108.023 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 47.8 t-105 -99.91 105.38 17.09 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.512 1.133 . . . . 0.0 108.018 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -102.11 176.01 25.41 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.447 1.092 . . . . 0.0 110.99 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . 0.451 ' HB3' ' CD1' ' A' ' 35' ' ' LEU . 28.3 tt0 -144.11 120.77 11.14 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.508 0.77 . . . . 0.0 110.287 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . 0.583 ' CG ' HD13 ' A' ' 24' ' ' LEU . 0.0 OUTLIER -90.91 -172.69 3.43 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.486 1.116 . . . . 0.0 110.312 179.971 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -63.74 103.44 0.56 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.539 1.149 . . . . 0.0 109.262 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 62.32 9.39 23.27 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.496 1.123 . . . . 0.0 110.991 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 1.3 m -114.59 163.17 15.78 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 108.304 -0.998 . . . . 0.0 108.304 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 8.2 p -148.5 112.86 5.28 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.473 1.108 . . . . 0.0 108.321 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -148.05 177.03 26.58 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.55 1.156 . . . . 0.0 110.967 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 2.7 m-85 -92.61 148.57 21.97 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.5 0.765 . . . . 0.0 110.97 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . 0.724 HD11 ' CD1' ' A' ' 34' ' ' ILE . 14.7 pt -131.48 152.29 80.22 Favored Pre-proline 0 C--N 1.324 -0.518 0 O-C-N 124.507 1.129 . . . . 0.0 109.289 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 168.44 24.83 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.455 1.766 . . . . 0.0 111.015 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -115.27 87.13 2.59 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.47 1.106 . . . . 0.0 109.298 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER 167.7 -35.84 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.455 1.097 . . . . 0.0 109.331 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' HIS . . . . . 0.429 ' O ' ' N ' ' A' ' 13' ' ' ILE . 12.3 m80 -72.77 -19.21 61.4 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.467 1.104 . . . . 0.0 109.596 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 16.3 m . . . . . 0 C--N 1.325 -0.46 0 O-C-N 124.491 1.119 . . . . 0.0 109.304 179.999 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . 0.476 ' HA3' ' CD1' ' A' ' 33' ' ' LEU . . . . . . . . 0 CA--C 1.53 1.003 0 N-CA-C 111.016 -0.834 . . . . 0.0 111.016 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . 0.468 ' CB ' ' HB ' ' A' ' 34' ' ' ILE . 0.0 OUTLIER -129.17 102.98 6.71 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.526 0.78 . . . . 0.0 110.262 -179.953 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . 0.464 ' HG2' HD22 ' A' ' 33' ' ' LEU . 0.4 OUTLIER -69.04 121.51 16.82 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.472 1.107 . . . . 0.0 110.305 179.981 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 8.0 m-85 -133.53 171.53 13.96 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.509 1.131 . . . . 0.0 110.989 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . 0.523 HG13 ' HA2' ' A' ' 29' ' ' GLY . 2.1 t -126.71 137.65 57.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.44 1.087 . . . . 0.0 109.27 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -71.47 127.95 34.24 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.49 1.119 . . . . 0.0 109.259 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.615 HD11 ' O ' ' A' ' 57' ' ' ASN . 3.2 pt -83.6 2.85 3.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.482 1.114 . . . . 0.0 109.308 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -170.99 161.88 7.05 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.441 1.088 . . . . 0.0 109.287 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . 0.422 ' OD1' ' N ' ' A' ' 15' ' ' ASP . 0.1 OUTLIER -84.59 110.45 18.73 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.485 1.116 . . . . 0.0 109.3 179.986 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . 0.422 ' HB3' ' CE1' ' A' ' 26' ' ' PHE . 8.1 t80 -106.15 146.39 30.28 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.469 1.106 . . . . 0.0 110.982 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . 0.409 ' N ' ' CD1' ' A' ' 16' ' ' TYR . . . -129.48 102.64 6.48 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.493 1.121 . . . . 0.0 109.286 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 0.408 ' HB1' ' HB2' ' A' ' 23' ' ' GLN . . . -53.38 145.55 14.12 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.515 1.134 . . . . 0.0 109.332 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -97.19 -38.28 9.77 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.496 1.123 . . . . 0.0 110.424 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -104.5 -175.57 2.83 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.496 1.123 . . . . 0.0 109.288 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 6.8 pt-20 -96.14 18.28 13.91 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.478 1.112 . . . . 0.0 110.289 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 28.4 p -108.29 -0.24 20.91 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.488 1.117 . . . . 0.0 110.361 -179.935 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . 0.408 ' HB2' ' HB1' ' A' ' 18' ' ' ALA . 43.4 mt-30 -130.56 154.46 47.81 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.444 1.09 . . . . 0.0 110.284 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.509 HD13 ' CG ' ' A' ' 47' ' ' ARG . 85.9 mt -101.23 155.84 17.78 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.515 1.134 . . . . 0.0 109.289 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . 0.403 ' O ' ' NH1' ' A' ' 47' ' ' ARG . 54.8 p -116.86 133.87 55.48 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.542 1.151 . . . . 0.0 110.043 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . 0.613 ' CB ' HD11 ' A' ' 32' ' ' ILE . 2.4 p90 -145.58 173.98 11.57 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.497 1.123 . . . . 0.0 111.004 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.608 HD12 ' N ' ' A' ' 28' ' ' ARG . 0.1 OUTLIER -117.34 145.89 43.74 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.491 1.12 . . . . 0.0 109.313 -179.995 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . 0.608 ' N ' HD12 ' A' ' 27' ' ' LEU . 72.2 ttt180 -43.8 110.55 0.21 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.531 1.144 . . . . 0.0 110.305 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . 0.523 ' HA2' HG13 ' A' ' 11' ' ' VAL . . . 120.05 -35.77 3.68 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.492 1.12 . . . . 0.0 110.989 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -44.01 131.61 5.72 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.505 0.768 . . . . 0.0 110.319 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 1.5 mptt -76.12 100.88 5.13 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.523 1.14 . . . . 0.0 109.299 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.613 HD11 ' CB ' ' A' ' 26' ' ' PHE . 5.3 mm -94.33 126.48 46.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.506 1.129 . . . . 0.0 109.271 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.476 ' CD1' ' HA3' ' A' ' 7' ' ' GLY . 0.2 OUTLIER -88.18 117.81 27.33 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.467 1.105 . . . . 0.0 109.321 179.998 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.65 ' CD1' HD11 ' A' ' 54' ' ' ILE . 26.5 mm -92.35 82.01 1.73 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.491 1.119 . . . . 0.0 109.295 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.446 ' CD1' ' HB3' ' A' ' 46' ' ' GLU . 8.2 mp -48.05 -69.24 0.13 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.451 1.095 . . . . 0.0 109.294 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 3.9 ttt180 -135.92 172.24 13.3 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.499 1.124 . . . . 0.0 110.276 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . 0.52 ' HG2' ' CD2' ' A' ' 43' ' ' TRP . 12.0 mt-30 -128.91 71.5 1.42 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.51 1.131 . . . . 0.0 110.331 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . 0.635 HG22 HG23 ' A' ' 39' ' ' THR . 6.8 m -38.48 -33.01 0.09 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.483 1.115 . . . . 0.0 110.4 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . 0.635 HG23 HG22 ' A' ' 38' ' ' THR . 68.6 p -148.82 -176.36 5.3 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.492 1.12 . . . . 0.0 110.413 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -98.8 8.84 44.52 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.517 1.136 . . . . 0.0 109.283 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -119.32 -40.51 2.8 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.511 1.132 . . . . 0.0 109.277 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 81.3 m95 -120.77 129.25 53.52 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 108.009 -1.108 . . . . 0.0 108.009 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' TRP . . . . . 0.52 ' CD2' ' HG2' ' A' ' 37' ' ' GLN . 47.0 m0 -112.53 153.42 27.51 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 107.973 -1.121 . . . . 0.0 107.973 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' TRP . . . . . 0.475 ' CE3' ' CD2' ' A' ' 53' ' ' TYR . 68.2 t-105 -99.99 105.18 16.84 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.517 1.136 . . . . 0.0 108.02 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -102.29 171.03 21.01 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.459 1.1 . . . . 0.0 110.982 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . 0.446 ' HB3' ' CD1' ' A' ' 35' ' ' LEU . 20.3 tt0 -139.5 120.65 14.74 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.512 0.772 . . . . 0.0 110.264 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . 0.509 ' CG ' HD13 ' A' ' 24' ' ' LEU . 8.9 mmm-85 -91.16 -175.34 4.26 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.51 1.131 . . . . 0.0 110.296 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -60.84 103.84 0.3 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.481 1.113 . . . . 0.0 109.23 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 62.92 8.0 19.75 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.473 1.108 . . . . 0.0 111.009 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -114.8 162.34 17.0 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 108.335 -0.987 . . . . 0.0 108.335 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 7.6 m -148.77 112.86 5.19 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.515 1.134 . . . . 0.0 108.332 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -148.42 179.15 25.5 Favored Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.505 1.128 . . . . 0.0 111.022 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' TYR . . . . . 0.475 ' CD2' ' CE3' ' A' ' 44' ' ' TRP . 1.4 m-85 -93.83 154.1 17.92 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.469 0.747 . . . . 0.0 110.995 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . 0.65 HD11 ' CD1' ' A' ' 34' ' ' ILE . 3.7 pt -137.01 151.18 71.6 Favored Pre-proline 0 C--N 1.326 -0.438 0 O-C-N 124.473 1.108 . . . . 0.0 109.296 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 167.88 26.07 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.483 1.781 . . . . 0.0 111.007 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -112.52 85.62 2.2 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.13 . . . . 0.0 109.309 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . 0.615 ' O ' HD11 ' A' ' 13' ' ' ILE . 1.5 t-20 168.83 -35.45 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.492 1.12 . . . . 0.0 109.278 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' HIS . . . . . 0.437 ' O ' ' CG1' ' A' ' 13' ' ' ILE . 3.1 m170 -72.62 -28.12 62.57 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.471 1.107 . . . . 0.0 109.586 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 21.4 m . . . . . 0 C--N 1.324 -0.51 0 O-C-N 124.54 1.15 . . . . 0.0 109.321 179.952 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . 0.446 ' HA3' ' CD1' ' A' ' 33' ' ' LEU . . . . . . . . 0 CA--C 1.53 1.002 0 N-CA-C 111.04 -0.824 . . . . 0.0 111.04 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -125.56 113.53 17.55 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.529 0.781 . . . . 0.0 110.29 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . 0.511 ' HG3' HD22 ' A' ' 33' ' ' LEU . 0.0 OUTLIER -78.04 108.64 11.47 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.512 1.133 . . . . 0.0 110.315 179.977 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 6.5 m-85 -111.99 166.85 10.87 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.518 1.136 . . . . 0.0 110.973 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . 0.482 HG22 ' O ' ' A' ' 29' ' ' GLY . 2.1 t -123.98 137.11 58.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.491 1.119 . . . . 0.0 109.295 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . 0.41 ' HB2' ' CD1' ' A' ' 26' ' ' PHE . . . -71.8 118.01 14.11 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.49 1.119 . . . . 0.0 109.291 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 2.4 pt -72.95 -11.16 14.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.469 1.106 . . . . 0.0 109.333 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -169.37 137.98 1.94 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.52 1.138 . . . . 0.0 109.259 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 1.6 p30 -54.71 142.62 27.91 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.502 1.126 . . . . 0.0 109.282 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 51.4 t80 -131.43 155.1 47.92 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.494 1.121 . . . . 0.0 110.991 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -127.53 113.15 15.76 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.538 1.149 . . . . 0.0 109.318 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 0.72 ' HB1' ' HB2' ' A' ' 23' ' ' GLN . . . -52.95 129.0 29.08 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.485 1.115 . . . . 0.0 109.275 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -85.51 -27.74 25.43 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.477 1.111 . . . . 0.0 110.414 179.939 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 21.0 m-20 -113.69 -176.03 2.81 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.5 1.125 . . . . 0.0 109.301 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -98.31 18.03 17.35 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.485 1.116 . . . . 0.0 110.328 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 39.5 p -127.46 16.6 7.06 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.461 1.101 . . . . 0.0 110.423 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . 0.72 ' HB2' ' HB1' ' A' ' 18' ' ' ALA . 96.3 mt-30 -115.53 163.99 14.95 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.47 1.106 . . . . 0.0 110.276 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.637 HD13 ' CG ' ' A' ' 47' ' ' ARG . 19.6 mt -110.09 140.14 44.47 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.524 1.14 . . . . 0.0 109.263 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 14.7 m -115.36 130.52 56.92 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.513 1.133 . . . . 0.0 109.969 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . 0.526 ' CB ' HD11 ' A' ' 32' ' ' ILE . 3.3 p90 -140.07 175.16 9.82 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.511 1.132 . . . . 0.0 111.007 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.585 HD12 ' N ' ' A' ' 28' ' ' ARG . 0.1 OUTLIER -115.49 143.84 44.73 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.447 1.092 . . . . 0.0 109.328 179.996 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . 0.585 ' N ' HD12 ' A' ' 27' ' ' LEU . 3.9 ttt-85 -42.18 113.7 0.47 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.512 1.133 . . . . 0.0 110.322 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . 0.482 ' O ' HG22 ' A' ' 11' ' ' VAL . . . 117.42 -36.71 3.59 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.512 1.132 . . . . 0.0 110.946 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -43.72 132.71 4.94 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.509 0.77 . . . . 0.0 110.304 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 1.8 mptt -77.7 103.77 7.83 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.482 1.114 . . . . 0.0 109.316 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.526 HD11 ' CB ' ' A' ' 26' ' ' PHE . 4.9 mm -96.47 129.2 46.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.505 1.128 . . . . 0.0 109.326 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.511 HD22 ' HG3' ' A' ' 9' ' ' GLU . 0.1 OUTLIER -91.24 120.78 32.44 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.518 1.136 . . . . 0.0 109.316 -179.985 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.715 HD12 HD11 ' A' ' 54' ' ' ILE . 10.1 mm -98.07 100.88 11.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 0.0 109.331 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.414 HD21 ' CB ' ' A' ' 46' ' ' GLU . 2.8 mm? -69.02 -68.42 0.4 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.483 1.115 . . . . 0.0 109.326 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -124.59 170.59 10.78 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.497 1.123 . . . . 0.0 110.344 179.948 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . 0.45 ' O ' ' N ' ' A' ' 39' ' ' THR . 59.6 mt-30 -100.86 -23.09 14.64 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.465 1.103 . . . . 0.0 110.24 -179.946 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . 0.424 HG22 HG23 ' A' ' 39' ' ' THR . 92.1 m 65.02 -74.3 0.05 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.501 1.125 . . . . 0.0 110.401 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . 0.69 ' O ' ' HB2' ' A' ' 40' ' ' ALA . 9.4 p -123.8 -65.33 1.08 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.515 1.134 . . . . 0.0 110.408 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . 0.69 ' HB2' ' O ' ' A' ' 39' ' ' THR . . . 163.85 -31.89 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.529 1.143 . . . . 0.0 109.305 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -93.6 -25.85 17.35 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.509 1.131 . . . . 0.0 109.297 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 90.5 m95 -122.43 123.77 42.09 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.499 1.124 . . . . 0.0 107.968 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 44.1 m0 -112.52 153.31 27.66 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.533 1.146 . . . . 0.0 107.986 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' TRP . . . . . 0.508 ' CE3' ' CD2' ' A' ' 53' ' ' TYR . 56.4 t-105 -104.0 108.34 19.64 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 107.985 -1.117 . . . . 0.0 107.985 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -107.59 -179.36 22.27 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.475 1.11 . . . . 0.0 111.014 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . 0.414 ' CB ' HD21 ' A' ' 35' ' ' LEU . 28.8 tt0 -142.94 120.68 11.88 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.5 0.765 . . . . 0.0 110.339 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . 0.637 ' CG ' HD13 ' A' ' 24' ' ' LEU . 0.1 OUTLIER -92.77 179.9 5.34 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.52 1.138 . . . . 0.0 110.299 -179.994 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -56.49 103.46 0.11 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.488 1.118 . . . . 0.0 109.287 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 62.73 7.67 16.96 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.541 1.151 . . . . 0.0 111.009 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' CYS . . . . . 0.427 ' C ' ' HG ' ' A' ' 51' ' ' CYS . 1.2 m -115.15 158.63 21.96 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 108.321 -0.992 . . . . 0.0 108.321 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' CYS . . . . . 0.427 ' HG ' ' C ' ' A' ' 50' ' ' CYS . 7.4 m -148.73 111.4 4.78 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.551 1.157 . . . . 0.0 108.266 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -148.87 -176.8 22.52 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.436 1.085 . . . . 0.0 110.995 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' TYR . . . . . 0.508 ' CD2' ' CE3' ' A' ' 44' ' ' TRP . 1.5 m-85 -92.49 151.71 20.05 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.507 0.769 . . . . 0.0 111.005 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . 0.715 HD11 HD12 ' A' ' 34' ' ' ILE . 3.6 pt -135.11 148.57 67.18 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.509 1.13 . . . . 0.0 109.314 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' PRO . . . . . 0.409 ' HD3' ' HA ' ' A' ' 54' ' ' ILE . 18.1 Cg_endo -75.04 160.47 40.0 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.453 1.765 . . . . 0.0 111.001 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -108.28 83.16 1.74 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.566 1.166 . . . . 0.0 109.331 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 25.5 t-20 177.19 -40.35 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.537 1.148 . . . . 0.0 109.317 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 40.8 m80 -70.55 -20.4 62.8 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.449 1.093 . . . . 0.0 109.634 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 10.9 m . . . . . 0 C--N 1.325 -0.46 0 O-C-N 124.536 1.148 . . . . 0.0 109.268 -179.985 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.028 0 N-CA-C 110.966 -0.854 . . . . 0.0 110.966 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -120.35 109.2 15.07 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.515 0.773 . . . . 0.0 110.338 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -73.4 120.47 19.05 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.52 1.137 . . . . 0.0 110.315 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 5.7 m-85 -131.12 160.87 33.47 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.543 1.152 . . . . 0.0 111.011 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . 0.592 HG13 ' HA2' ' A' ' 29' ' ' GLY . 2.1 t -117.74 142.03 33.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.533 1.145 . . . . 0.0 109.269 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . 0.421 ' O ' ' HA ' ' A' ' 28' ' ' ARG . . . -74.93 118.21 17.64 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.529 1.143 . . . . 0.0 109.278 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.435 ' CG1' ' O ' ' A' ' 58' ' ' HIS . 2.5 pt -76.02 -3.69 5.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.493 1.121 . . . . 0.0 109.308 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -171.16 138.31 1.23 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.542 1.152 . . . . 0.0 109.256 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 6.4 p-10 -60.73 140.45 57.53 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.445 1.09 . . . . 0.0 109.309 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . 0.434 ' OH ' ' NE2' ' A' ' 23' ' ' GLN . 53.7 t80 -130.88 161.36 32.02 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.543 1.152 . . . . 0.0 111.009 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -133.33 115.61 15.11 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.474 1.109 . . . . 0.0 109.314 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -53.94 115.76 2.19 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.462 1.101 . . . . 0.0 109.29 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 72.0 p -82.67 -10.11 59.07 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.492 1.12 . . . . 0.0 110.425 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -138.25 173.97 11.05 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.474 1.109 . . . . 0.0 109.33 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 13.5 pt-20 -88.47 17.25 5.49 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.545 1.153 . . . . 0.0 110.243 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 21.0 p -123.15 13.41 9.67 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.454 1.097 . . . . 0.0 110.441 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . 0.434 ' NE2' ' OH ' ' A' ' 16' ' ' TYR . 65.3 mt-30 -125.06 157.08 37.12 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.479 1.112 . . . . 0.0 110.28 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.669 HD13 ' CG ' ' A' ' 47' ' ' ARG . 12.7 mt -100.1 146.13 27.15 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.514 1.133 . . . . 0.0 109.347 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 79.7 p -111.94 137.81 49.42 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.512 1.132 . . . . 0.0 109.969 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . 0.659 ' CB ' HD11 ' A' ' 32' ' ' ILE . 11.0 p90 -154.39 -178.9 7.46 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.501 1.125 . . . . 0.0 111.029 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.594 HD12 ' N ' ' A' ' 28' ' ' ARG . 0.1 OUTLIER -127.69 142.86 51.22 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.533 1.145 . . . . 0.0 109.339 179.983 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . 0.594 ' N ' HD12 ' A' ' 27' ' ' LEU . 8.8 ttt85 -39.16 115.33 0.48 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.531 1.144 . . . . 0.0 110.32 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . 0.592 ' HA2' HG13 ' A' ' 11' ' ' VAL . . . 114.65 -40.41 2.48 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.525 1.141 . . . . 0.0 111.01 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -39.04 134.38 1.05 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.509 0.77 . . . . 0.0 110.313 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.453 ' O ' ' NH2' ' A' ' 47' ' ' ARG . 0.3 OUTLIER -74.81 100.34 4.01 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.549 1.156 . . . . 0.0 109.302 -179.998 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.659 HD11 ' CB ' ' A' ' 26' ' ' PHE . 4.4 mm -95.45 123.95 47.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.53 1.144 . . . . 0.0 109.262 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.497 HD12 HD12 ' A' ' 35' ' ' LEU . 0.2 OUTLIER -89.5 117.66 28.57 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.484 1.115 . . . . 0.0 109.321 179.967 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.615 ' CD1' HD11 ' A' ' 54' ' ' ILE . 33.3 mm -91.16 77.63 1.35 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.472 1.107 . . . . 0.0 109.279 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.657 HD22 ' HB2' ' A' ' 46' ' ' GLU . 7.0 mp -46.1 -67.61 0.27 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.426 1.079 . . . . 0.0 109.345 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 5.6 ttt180 -128.38 163.01 25.77 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.496 1.122 . . . . 0.0 110.313 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . 0.445 ' O ' ' N ' ' A' ' 39' ' ' THR . 6.6 mt-30 -99.08 -50.83 4.03 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.513 1.133 . . . . 0.0 110.302 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 21.0 m 66.61 -69.79 0.12 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.497 1.123 . . . . 0.0 110.409 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . 0.445 ' N ' ' O ' ' A' ' 37' ' ' GLN . 14.4 p -123.22 160.58 26.28 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.53 1.144 . . . . 0.0 110.406 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -86.51 10.49 15.15 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.562 1.164 . . . . 0.0 109.308 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 3.6 t0 -121.73 -42.22 2.43 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.464 1.102 . . . . 0.0 109.262 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 78.8 m95 -120.52 130.26 54.17 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.474 1.109 . . . . 0.0 108.028 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 45.4 m0 -113.15 160.12 18.55 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.484 1.115 . . . . 0.0 108.015 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 41.0 t-105 -106.79 107.92 19.17 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.498 1.123 . . . . 0.0 107.975 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -105.02 174.78 21.73 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.478 1.111 . . . . 0.0 110.993 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . 0.657 ' HB2' HD22 ' A' ' 35' ' ' LEU . 20.1 tt0 -146.62 120.22 9.14 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.464 0.744 . . . . 0.0 110.256 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . 0.669 ' CG ' HD13 ' A' ' 24' ' ' LEU . 0.0 OUTLIER -93.65 -176.09 3.96 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.526 1.141 . . . . 0.0 110.303 179.945 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -57.85 103.17 0.12 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.464 1.103 . . . . 0.0 109.24 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 62.4 9.2 22.81 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.486 1.116 . . . . 0.0 110.98 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 1.1 m -114.45 157.35 23.02 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 108.289 -1.004 . . . . 0.0 108.289 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 8.2 p -148.46 112.2 5.09 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.481 1.113 . . . . 0.0 108.267 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -148.14 178.96 25.38 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.551 1.157 . . . . 0.0 111.013 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 2.7 m-85 -91.86 148.91 21.87 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.55 0.794 . . . . 0.0 111.033 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . 0.615 HD11 ' CD1' ' A' ' 34' ' ' ILE . 5.1 pt -134.42 151.41 76.13 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.52 1.138 . . . . 0.0 109.324 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' PRO . . . . . 0.402 ' HD3' ' HA ' ' A' ' 54' ' ' ILE . 18.3 Cg_endo -74.99 167.32 27.31 Favored 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.499 1.789 . . . . 0.0 111.033 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -111.3 84.48 1.95 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.503 1.127 . . . . 0.0 109.286 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 1.8 t-20 170.68 -35.39 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.511 1.132 . . . . 0.0 109.295 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' HIS . . . . . 0.435 ' O ' ' CG1' ' A' ' 13' ' ' ILE . 13.9 m80 -69.28 -28.47 66.32 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.478 1.111 . . . . 0.0 109.623 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 13.3 m . . . . . 0 C--N 1.325 -0.498 0 O-C-N 124.516 1.135 . . . . 0.0 109.332 179.967 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.997 0 N-CA-C 110.979 -0.849 . . . . 0.0 110.979 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 8.9 mt-10 -121.41 135.13 55.1 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.529 0.782 . . . . 0.0 110.286 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . 0.407 ' HG3' HD22 ' A' ' 33' ' ' LEU . 0.0 OUTLIER -90.89 117.82 29.79 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.461 1.1 . . . . 0.0 110.319 179.971 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 14.6 m-85 -115.89 163.39 15.95 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.537 1.148 . . . . 0.0 111.013 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . 0.493 HG13 ' HA2' ' A' ' 29' ' ' GLY . 2.3 t -124.09 136.45 60.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.498 1.124 . . . . 0.0 109.267 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . 0.404 ' O ' ' HA ' ' A' ' 28' ' ' ARG . . . -70.96 117.9 13.04 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.486 1.116 . . . . 0.0 109.292 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.407 ' N ' ' O ' ' A' ' 58' ' ' HIS . 2.9 pt -66.14 -17.27 22.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.458 1.098 . . . . 0.0 109.319 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -163.81 156.82 18.21 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.472 1.107 . . . . 0.0 109.308 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 2.9 p-10 -62.37 143.79 56.57 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.406 1.066 . . . . 0.0 109.316 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . 0.557 ' HB2' ' CD2' ' A' ' 58' ' ' HIS . 11.2 t80 -133.17 152.49 51.94 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.533 1.145 . . . . 0.0 110.974 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -129.9 114.45 15.89 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.491 1.119 . . . . 0.0 109.284 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 0.669 ' HB1' ' HB2' ' A' ' 23' ' ' GLN . . . -53.12 130.94 35.83 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.515 1.134 . . . . 0.0 109.289 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -84.45 -36.5 22.29 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.45 1.094 . . . . 0.0 110.388 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 5.3 t0 -108.43 -172.65 2.1 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.566 1.166 . . . . 0.0 109.265 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -99.82 17.66 20.21 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.48 1.112 . . . . 0.0 110.293 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 40.9 p -127.79 28.95 5.53 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.459 1.1 . . . . 0.0 110.382 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . 0.669 ' HB2' ' HB1' ' A' ' 18' ' ' ALA . 81.5 mt-30 -126.52 163.45 23.36 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.477 1.11 . . . . 0.0 110.309 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.513 HD13 ' CG ' ' A' ' 47' ' ' ARG . 21.7 mt -105.91 136.33 45.75 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.49 1.119 . . . . 0.0 109.348 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 9.8 p -109.36 133.22 53.33 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.507 1.129 . . . . 0.0 109.983 -179.933 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . 0.529 ' CE1' ' HB3' ' A' ' 16' ' ' TYR . 2.0 p90 -143.53 -178.96 6.14 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.459 1.099 . . . . 0.0 110.988 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.58 HD12 ' N ' ' A' ' 28' ' ' ARG . 0.1 OUTLIER -127.44 143.9 51.13 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.506 1.129 . . . . 0.0 109.289 179.973 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . 0.58 ' N ' HD12 ' A' ' 27' ' ' LEU . 5.3 ttt180 -39.01 122.9 1.25 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.477 1.111 . . . . 0.0 110.275 -179.942 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . 0.493 ' HA2' HG13 ' A' ' 11' ' ' VAL . . . 104.63 -32.0 7.99 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.498 1.124 . . . . 0.0 111.035 -179.944 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 4.8 mt-10 -45.93 129.96 9.63 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.512 0.772 . . . . 0.0 110.317 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 19.3 mmtt -76.51 102.32 6.0 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.494 1.121 . . . . 0.0 109.297 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.475 HD11 ' CB ' ' A' ' 26' ' ' PHE . 4.9 mm -94.95 158.07 2.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.541 1.151 . . . . 0.0 109.274 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.407 HD22 ' HG3' ' A' ' 9' ' ' GLU . 0.1 OUTLIER -117.88 134.0 55.37 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.47 1.106 . . . . 0.0 109.341 179.972 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.647 ' CD1' HD11 ' A' ' 54' ' ' ILE . 30.2 mm -112.41 94.9 3.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.572 1.17 . . . . 0.0 109.293 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 2.3 mm? -70.54 -63.04 1.17 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.486 1.116 . . . . 0.0 109.317 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -131.55 155.27 47.76 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.461 1.101 . . . . 0.0 110.308 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . 0.442 ' O ' ' N ' ' A' ' 39' ' ' THR . 38.7 mt-30 -89.71 -16.45 30.35 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.473 1.108 . . . . 0.0 110.307 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . 0.494 HG22 HG23 ' A' ' 39' ' ' THR . 90.5 m 62.67 -78.91 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.491 1.119 . . . . 0.0 110.411 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . 0.608 ' O ' ' HB2' ' A' ' 40' ' ' ALA . 22.9 p -116.86 -64.22 1.34 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.524 1.14 . . . . 0.0 110.459 179.945 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . 0.608 ' HB2' ' O ' ' A' ' 39' ' ' THR . . . 169.08 -39.88 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.487 1.117 . . . . 0.0 109.302 179.941 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -87.39 -39.05 15.62 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.493 1.121 . . . . 0.0 109.329 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 94.0 m95 -106.17 123.52 48.16 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.539 1.149 . . . . 0.0 108.003 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' TRP . . . . . 0.421 ' NE1' ' O ' ' A' ' 40' ' ' ALA . 43.8 m0 -112.24 154.76 25.11 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.505 1.128 . . . . 0.0 108.024 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' TRP . . . . . 0.539 ' CE3' ' CE2' ' A' ' 53' ' ' TYR . 56.1 t-105 -104.9 106.11 16.46 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 107.98 -1.119 . . . . 0.0 107.98 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -105.64 -171.97 23.73 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.438 1.086 . . . . 0.0 111.033 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . 0.402 ' HG3' ' HG ' ' A' ' 51' ' ' CYS . 34.2 tt0 -147.8 121.3 9.11 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.479 0.752 . . . . 0.0 110.312 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . 0.513 ' CG ' HD13 ' A' ' 24' ' ' LEU . 3.1 mmm180 -91.3 -177.14 4.77 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.484 1.115 . . . . 0.0 110.334 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -59.46 103.79 0.22 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.501 1.126 . . . . 0.0 109.267 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 62.94 7.14 14.87 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.503 1.127 . . . . 0.0 110.989 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 1.1 m -115.23 162.06 17.59 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 108.297 -1.001 . . . . 0.0 108.297 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' CYS . . . . . 0.402 ' HG ' ' HG3' ' A' ' 46' ' ' GLU . 11.6 m -148.59 111.18 4.74 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.546 1.154 . . . . 0.0 108.294 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -148.92 -176.9 22.64 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.488 1.117 . . . . 0.0 110.999 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' TYR . . . . . 0.539 ' CE2' ' CE3' ' A' ' 44' ' ' TRP . 4.2 m-85 -90.19 160.53 16.18 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.518 0.775 . . . . 0.0 111.019 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . 0.647 HD11 ' CD1' ' A' ' 34' ' ' ILE . 2.6 pt -144.75 147.6 36.24 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.479 1.112 . . . . 0.0 109.257 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' PRO . . . . . 0.407 ' HD3' ' HA ' ' A' ' 54' ' ' ILE . 18.3 Cg_endo -75.06 163.63 34.83 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.529 1.804 . . . . 0.0 111.002 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -110.19 84.03 1.86 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.514 1.134 . . . . 0.0 109.304 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 38.5 t-20 177.32 -38.56 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.449 1.093 . . . . 0.0 109.31 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' HIS . . . . . 0.557 ' CD2' ' HB2' ' A' ' 16' ' ' TYR . 39.2 m80 -70.98 -28.1 64.2 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.529 1.143 . . . . 0.0 109.618 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 15.7 m . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.51 1.131 . . . . 0.0 109.304 179.972 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . 0.476 ' HA3' ' CD1' ' A' ' 33' ' ' LEU . . . . . . . . 0 CA--C 1.53 0.983 0 N-CA-C 111.006 -0.837 . . . . 0.0 111.006 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -123.81 121.2 34.79 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.503 0.767 . . . . 0.0 110.302 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . 0.466 ' HG3' ' CD2' ' A' ' 33' ' ' LEU . 0.1 OUTLIER -78.98 104.17 9.44 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.513 1.133 . . . . 0.0 110.288 -179.997 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 11.0 m-85 -106.88 160.39 15.55 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.519 1.137 . . . . 0.0 110.969 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . 0.518 HG13 ' HA2' ' A' ' 29' ' ' GLY . 2.2 t -121.21 136.55 57.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.496 1.122 . . . . 0.0 109.265 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . 0.405 ' O ' ' HA ' ' A' ' 28' ' ' ARG . . . -70.91 117.95 13.07 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.472 1.107 . . . . 0.0 109.361 179.945 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 3.5 pt -67.33 -18.38 23.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.482 1.114 . . . . 0.0 109.323 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -162.57 152.3 15.96 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.498 1.124 . . . . 0.0 109.311 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 4.8 p-10 -59.37 141.35 54.76 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.513 1.133 . . . . 0.0 109.295 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . 0.448 ' HB3' ' CE1' ' A' ' 26' ' ' PHE . 82.9 t80 -131.56 153.3 50.0 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.472 1.107 . . . . 0.0 110.977 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -128.35 112.5 14.5 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.472 1.108 . . . . 0.0 109.28 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 0.587 ' HB1' ' HB2' ' A' ' 23' ' ' GLN . . . -53.17 120.18 5.63 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.471 1.107 . . . . 0.0 109.302 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -76.7 -27.05 55.36 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.535 1.147 . . . . 0.0 110.394 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 5.3 t0 -116.76 173.21 6.76 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.525 1.141 . . . . 0.0 109.277 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -90.79 17.57 7.55 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.532 1.145 . . . . 0.0 110.321 179.94 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 81.3 p -121.96 6.76 9.81 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.452 1.095 . . . . 0.0 110.413 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . 0.587 ' HB2' ' HB1' ' A' ' 18' ' ' ALA . 24.3 mt-30 -108.19 170.56 7.93 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.479 1.112 . . . . 0.0 110.331 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.651 HD13 ' HG2' ' A' ' 47' ' ' ARG . 20.5 mt -110.85 142.98 42.15 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.453 1.095 . . . . 0.0 109.292 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 8.5 p -113.66 129.03 56.64 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.509 1.131 . . . . 0.0 110.026 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . 0.511 ' CB ' HD11 ' A' ' 32' ' ' ILE . 2.1 p90 -138.73 -178.96 5.54 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.456 1.097 . . . . 0.0 111.007 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.562 HD12 ' N ' ' A' ' 28' ' ' ARG . 0.1 OUTLIER -126.23 142.19 51.62 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.558 1.162 . . . . 0.0 109.317 179.979 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . 0.562 ' N ' HD12 ' A' ' 27' ' ' LEU . 9.2 ttt180 -38.89 118.1 0.73 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.435 1.084 . . . . 0.0 110.308 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . 0.518 ' HA2' HG13 ' A' ' 11' ' ' VAL . . . 109.0 -31.17 7.93 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.483 1.114 . . . . 0.0 110.988 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -47.24 130.72 13.1 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.536 0.786 . . . . 0.0 110.26 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 45.0 mmtt -76.99 103.21 6.79 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.522 1.139 . . . . 0.0 109.317 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.511 HD11 ' CB ' ' A' ' 26' ' ' PHE . 4.7 mm -95.59 144.64 9.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.535 1.147 . . . . 0.0 109.331 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.476 ' CD1' ' HA3' ' A' ' 7' ' ' GLY . 0.2 OUTLIER -107.13 125.17 50.72 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.515 1.134 . . . . 0.0 109.308 -179.969 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.546 ' CD1' ' CD1' ' A' ' 54' ' ' ILE . 35.0 mm -101.65 100.7 10.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.522 1.139 . . . . 0.0 109.306 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.798 HD21 ' CB ' ' A' ' 46' ' ' GLU . 0.4 OUTLIER -71.18 -67.5 0.51 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.472 1.108 . . . . 0.0 109.278 -179.997 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 12.7 mmt85 -127.1 168.46 14.59 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.453 1.096 . . . . 0.0 110.325 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . 0.436 ' O ' ' N ' ' A' ' 39' ' ' THR . 57.7 mt-30 -100.13 -31.29 11.48 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.461 1.1 . . . . 0.0 110.302 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 10.0 m 67.9 -66.77 0.21 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.526 1.141 . . . . 0.0 110.405 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . 0.479 ' O ' ' HB2' ' A' ' 40' ' ' ALA . 3.3 p -123.41 -80.05 0.62 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.43 1.081 . . . . 0.0 110.345 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . 0.479 ' HB2' ' O ' ' A' ' 39' ' ' THR . . . 176.87 -42.25 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.519 1.137 . . . . 0.0 109.3 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -82.72 -35.42 26.7 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.455 1.097 . . . . 0.0 109.317 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 93.2 m95 -113.73 124.81 53.18 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.485 1.115 . . . . 0.0 108.003 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' TRP . . . . . 0.411 ' NE1' ' O ' ' A' ' 40' ' ' ALA . 46.7 m0 -111.86 161.53 16.27 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 107.954 -1.128 . . . . 0.0 107.954 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' TRP . . . . . 0.439 ' CE3' ' CD2' ' A' ' 53' ' ' TYR . 68.9 t-105 -108.3 109.38 20.71 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.492 1.12 . . . . 0.0 108.003 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . 0.509 ' HA2' HD22 ' A' ' 35' ' ' LEU . . . -105.36 -172.75 24.05 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.556 1.16 . . . . 0.0 111.004 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . 0.798 ' CB ' HD21 ' A' ' 35' ' ' LEU . 22.1 tt0 -152.02 120.65 6.49 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.464 0.743 . . . . 0.0 110.355 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . 0.651 ' HG2' HD13 ' A' ' 24' ' ' LEU . 0.3 OUTLIER -92.88 -173.7 3.38 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.473 1.108 . . . . 0.0 110.269 -179.986 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -60.93 103.14 0.24 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.527 1.142 . . . . 0.0 109.298 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 62.3 9.08 21.48 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.485 1.116 . . . . 0.0 110.958 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -114.74 160.39 19.46 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 108.326 -0.99 . . . . 0.0 108.326 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 12.0 p -148.66 112.3 5.06 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.498 1.124 . . . . 0.0 108.296 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -148.37 -177.65 22.84 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.509 1.13 . . . . 0.0 111.018 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' TYR . . . . . 0.439 ' CD2' ' CE3' ' A' ' 44' ' ' TRP . 10.8 m-85 -94.53 151.05 19.65 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.559 0.799 . . . . 0.0 111.014 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . 0.546 ' CD1' ' CD1' ' A' ' 34' ' ' ILE . 2.6 pt -132.61 150.9 77.1 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.49 1.119 . . . . 0.0 109.289 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' PRO . . . . . 0.401 ' HD3' ' HA ' ' A' ' 54' ' ' ILE . 18.5 Cg_endo -74.94 175.77 10.78 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.477 1.777 . . . . 0.0 111.016 179.937 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -121.94 86.27 2.55 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.543 1.152 . . . . 0.0 109.291 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 4.6 t-20 169.38 -36.56 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.495 1.122 . . . . 0.0 109.308 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 80.0 m-70 -71.73 -25.03 61.89 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.541 1.151 . . . . 0.0 109.552 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 11.0 m . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.486 1.116 . . . . 0.0 109.309 -179.995 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . 0.463 ' HA3' ' CD1' ' A' ' 33' ' ' LEU . . . . . . . . 0 CA--C 1.53 0.975 0 N-CA-C 110.974 -0.85 . . . . 0.0 110.974 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 24.0 mt-10 -116.42 125.92 52.7 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.514 0.773 . . . . 0.0 110.253 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . 0.483 ' OE1' ' CG ' ' A' ' 31' ' ' LYS . 0.0 OUTLIER -83.64 109.64 17.61 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.499 1.124 . . . . 0.0 110.28 179.972 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 11.4 m-85 -112.87 156.71 22.46 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.482 1.114 . . . . 0.0 111.021 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . 0.511 HG22 ' O ' ' A' ' 29' ' ' GLY . 2.1 t -116.71 140.05 40.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.522 1.139 . . . . 0.0 109.345 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . 0.4 ' O ' ' HA ' ' A' ' 28' ' ' ARG . . . -71.87 118.11 14.32 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.518 1.136 . . . . 0.0 109.293 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 3.0 pt -71.21 -13.59 17.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.543 1.152 . . . . 0.0 109.272 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -168.7 141.93 2.95 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.485 1.115 . . . . 0.0 109.279 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 1.9 p-10 -59.15 143.75 47.89 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.521 1.138 . . . . 0.0 109.275 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 30.6 t80 -133.56 161.79 33.66 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.492 1.12 . . . . 0.0 110.999 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -131.59 107.98 9.21 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.485 1.116 . . . . 0.0 109.311 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -53.01 123.03 10.54 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.55 1.156 . . . . 0.0 109.306 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -82.51 -22.7 34.95 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.534 1.146 . . . . 0.0 110.432 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -120.04 -177.63 3.46 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.502 1.127 . . . . 0.0 109.315 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 7.5 pt-20 -98.06 17.8 17.57 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.51 1.131 . . . . 0.0 110.298 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 81.2 p -118.1 -5.12 10.96 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.492 1.12 . . . . 0.0 110.381 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 37.4 mt-30 -103.61 159.77 15.32 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.486 1.116 . . . . 0.0 110.279 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.902 HD13 ' CG ' ' A' ' 47' ' ' ARG . 18.2 mt -106.83 144.01 34.09 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.534 1.146 . . . . 0.0 109.28 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . 0.431 ' O ' ' NE ' ' A' ' 47' ' ' ARG . 13.3 p -112.71 133.08 54.9 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.456 1.097 . . . . 0.0 109.993 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . 0.457 ' CB ' HD11 ' A' ' 32' ' ' ILE . 2.2 p90 -143.76 176.59 9.13 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.493 1.12 . . . . 0.0 110.999 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.575 HD12 ' N ' ' A' ' 28' ' ' ARG . 0.1 OUTLIER -119.92 142.63 48.55 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.518 1.136 . . . . 0.0 109.289 179.984 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . 0.575 ' N ' HD12 ' A' ' 27' ' ' LEU . 4.9 ttt-85 -41.16 112.3 0.29 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.444 1.09 . . . . 0.0 110.295 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . 0.511 ' O ' HG22 ' A' ' 11' ' ' VAL . . . 118.05 -37.76 3.15 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.521 1.138 . . . . 0.0 110.964 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -40.72 131.81 2.31 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.502 0.766 . . . . 0.0 110.322 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.483 ' CG ' ' OE1' ' A' ' 9' ' ' GLU . 0.4 OUTLIER -77.35 102.92 7.0 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.499 1.125 . . . . 0.0 109.25 -179.962 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.457 HD11 ' CB ' ' A' ' 26' ' ' PHE . 4.7 mm -96.0 149.18 4.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.488 1.118 . . . . 0.0 109.262 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.463 ' CD1' ' HA3' ' A' ' 7' ' ' GLY . 0.1 OUTLIER -114.24 124.86 53.08 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.474 1.108 . . . . 0.0 109.339 179.977 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.523 ' CD1' ' CD1' ' A' ' 54' ' ' ILE . 15.1 mm -99.88 102.4 13.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.558 1.161 . . . . 0.0 109.282 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.443 HD21 ' CB ' ' A' ' 46' ' ' GLU . 3.0 mm? -71.64 -68.23 0.47 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.127 . . . . 0.0 109.282 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 14.9 mtp180 -123.2 168.78 12.0 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.524 1.14 . . . . 0.0 110.319 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . 0.418 ' O ' ' N ' ' A' ' 39' ' ' THR . 40.0 mt-30 -97.37 -28.56 13.97 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.506 1.129 . . . . 0.0 110.277 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . 0.453 HG21 ' HE1' ' A' ' 53' ' ' TYR . 28.7 m 67.25 -68.57 0.15 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.495 1.122 . . . . 0.0 110.362 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . 0.486 ' O ' ' HB2' ' A' ' 40' ' ' ALA . 51.2 p -130.21 -78.66 0.54 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.528 1.143 . . . . 0.0 110.368 -179.959 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . 0.486 ' HB2' ' O ' ' A' ' 39' ' ' THR . . . 176.49 -37.37 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.509 1.131 . . . . 0.0 109.263 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 22.7 m-20 -91.34 -18.01 24.97 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.475 1.11 . . . . 0.0 109.282 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 94.3 m95 -130.78 123.04 28.29 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.502 1.126 . . . . 0.0 108.012 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 45.6 m0 -112.38 163.65 14.18 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.507 1.129 . . . . 0.0 107.974 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' TRP . . . . . 0.405 ' CE3' ' CD2' ' A' ' 53' ' ' TYR . 67.5 t-105 -112.66 115.0 27.87 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 107.969 -1.123 . . . . 0.0 107.969 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -113.19 -179.24 19.4 Favored Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.529 1.143 . . . . 0.0 110.982 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . 0.443 ' CB ' HD21 ' A' ' 35' ' ' LEU . 40.5 tt0 -140.56 120.73 13.82 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.509 0.77 . . . . 0.0 110.277 -179.959 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . 0.902 ' CG ' HD13 ' A' ' 24' ' ' LEU . 0.0 OUTLIER -92.14 -174.43 3.75 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.464 1.103 . . . . 0.0 110.282 -179.988 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -62.02 102.97 0.32 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.446 1.091 . . . . 0.0 109.278 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 62.42 8.16 17.9 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.53 1.144 . . . . 0.0 110.991 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 1.3 m -115.07 161.63 18.11 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 108.326 -0.991 . . . . 0.0 108.326 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 12.8 p -148.5 111.53 4.87 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.479 1.112 . . . . 0.0 108.317 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -148.58 -176.97 22.44 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.487 1.117 . . . . 0.0 111.009 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' TYR . . . . . 0.453 ' HE1' HG21 ' A' ' 38' ' ' THR . 11.3 m-85 -91.1 162.5 14.65 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.536 0.786 . . . . 0.0 110.998 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . 0.523 ' CD1' ' CD1' ' A' ' 34' ' ' ILE . 4.0 pt -145.83 149.65 40.25 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.518 1.136 . . . . 0.0 109.306 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 155.69 42.99 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.524 1.802 . . . . 0.0 110.988 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . 0.429 ' CB ' ' O ' ' A' ' 40' ' ' ALA . . . -100.63 80.78 2.23 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.129 . . . . 0.0 109.303 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 2.4 t30 173.56 -47.61 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.497 1.123 . . . . 0.0 109.312 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 1.7 m-70 -58.18 -19.91 36.95 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.445 1.091 . . . . 0.0 109.597 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 7.7 m . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.426 1.079 . . . . 0.0 109.297 179.985 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . 0.434 ' HA3' ' CD1' ' A' ' 33' ' ' LEU . . . . . . . . 0 CA--C 1.53 0.969 0 N-CA-C 111.012 -0.835 . . . . 0.0 111.012 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . 0.421 ' O ' HD13 ' A' ' 33' ' ' LEU . 0.1 OUTLIER -110.14 117.22 33.13 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.467 0.745 . . . . 0.0 110.316 179.992 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . 0.502 ' HA ' HD22 ' A' ' 33' ' ' LEU . 0.4 OUTLIER -80.28 133.47 35.97 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.442 1.089 . . . . 0.0 110.298 -179.966 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 7.3 m-85 -140.14 161.37 37.79 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.526 1.141 . . . . 0.0 111.034 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . 0.631 HG22 ' O ' ' A' ' 29' ' ' GLY . 2.0 t -120.27 139.15 48.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.52 1.138 . . . . 0.0 109.306 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -74.57 121.34 21.42 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.511 1.132 . . . . 0.0 109.261 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.41 ' CG1' ' O ' ' A' ' 58' ' ' HIS . 3.1 pt -80.24 1.67 2.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.465 1.103 . . . . 0.0 109.296 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -171.99 155.73 3.87 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.45 1.094 . . . . 0.0 109.286 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 6.5 p-10 -75.3 135.23 40.92 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.515 1.135 . . . . 0.0 109.287 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . 0.44 ' OH ' ' NE2' ' A' ' 23' ' ' GLN . 61.2 t80 -126.6 163.57 23.15 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.513 1.133 . . . . 0.0 110.999 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . 0.407 ' N ' ' CG ' ' A' ' 16' ' ' TYR . . . -141.15 112.92 7.68 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.445 1.09 . . . . 0.0 109.334 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 0.547 ' HB1' ' HB2' ' A' ' 23' ' ' GLN . . . -53.05 133.22 38.71 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.548 1.155 . . . . 0.0 109.298 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 15.9 p -100.22 -16.79 17.63 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.559 1.162 . . . . 0.0 110.36 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -120.05 177.61 4.93 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.49 1.119 . . . . 0.0 109.269 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 9.0 pt-20 -93.55 17.19 12.04 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.435 1.084 . . . . 0.0 110.301 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 60.1 p -129.54 21.1 5.59 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.522 1.139 . . . . 0.0 110.416 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . 0.547 ' HB2' ' HB1' ' A' ' 18' ' ' ALA . 60.8 mt-30 -122.4 170.04 10.36 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.565 1.166 . . . . 0.0 110.334 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.583 HD13 ' CG ' ' A' ' 47' ' ' ARG . 43.5 mt -120.34 144.54 47.8 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.516 1.135 . . . . 0.0 109.294 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 6.6 m -112.19 136.63 51.36 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.529 1.143 . . . . 0.0 110.022 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . 0.53 ' CB ' HD11 ' A' ' 32' ' ' ILE . 1.9 p90 -148.12 176.89 9.84 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.499 1.125 . . . . 0.0 110.969 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.684 HD12 ' N ' ' A' ' 28' ' ' ARG . 0.1 OUTLIER -120.26 150.51 40.58 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.511 1.132 . . . . 0.0 109.308 -179.993 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . 0.684 ' N ' HD12 ' A' ' 27' ' ' LEU . 65.8 ttt180 -46.94 108.72 0.15 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.496 1.123 . . . . 0.0 110.275 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . 0.631 ' O ' HG22 ' A' ' 11' ' ' VAL . . . 121.38 -39.8 2.28 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.461 1.1 . . . . 0.0 110.991 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -39.69 132.54 1.64 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.481 0.753 . . . . 0.0 110.335 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.91 104.04 8.23 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.474 1.109 . . . . 0.0 109.304 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.53 HD11 ' CB ' ' A' ' 26' ' ' PHE . 4.6 mm -99.71 138.02 25.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.49 1.119 . . . . 0.0 109.293 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.502 HD22 ' HA ' ' A' ' 9' ' ' GLU . 0.2 OUTLIER -98.54 136.24 38.92 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.448 1.093 . . . . 0.0 109.3 -179.998 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.564 HD13 HD11 ' A' ' 54' ' ' ILE . 42.4 mm -109.05 79.03 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.489 1.118 . . . . 0.0 109.35 179.948 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 5.7 mp -46.63 -66.84 0.34 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.47 1.106 . . . . 0.0 109.276 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 4.7 mtp85 -137.87 179.0 6.69 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.458 1.099 . . . . 0.0 110.343 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 92.9 mt-30 -124.6 107.47 11.05 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.474 1.109 . . . . 0.0 110.324 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 6.4 m -41.96 -57.22 2.5 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.521 1.138 . . . . 0.0 110.379 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . 0.525 ' O ' ' HB2' ' A' ' 40' ' ' ALA . 81.6 p -144.29 -52.48 0.31 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.537 1.148 . . . . 0.0 110.418 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . 0.525 ' HB2' ' O ' ' A' ' 39' ' ' THR . . . 174.28 -35.43 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.547 1.154 . . . . 0.0 109.333 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -87.52 -42.13 12.98 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.555 1.159 . . . . 0.0 109.275 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 93.6 m95 -105.66 125.91 51.53 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.519 1.137 . . . . 0.0 108.027 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 47.2 m0 -114.23 152.64 30.97 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.519 1.137 . . . . 0.0 108.008 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 71.2 t-105 -99.89 105.04 16.73 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.55 1.156 . . . . 0.0 108.006 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . 0.406 ' HA3' ' CD1' ' A' ' 54' ' ' ILE . . . -100.96 -177.5 29.27 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.513 1.133 . . . . 0.0 110.97 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 22.3 tt0 -150.81 120.44 6.98 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.498 0.763 . . . . 0.0 110.326 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . 0.583 ' CG ' HD13 ' A' ' 24' ' ' LEU . 0.2 OUTLIER -92.69 -174.14 3.55 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.51 1.131 . . . . 0.0 110.31 -179.996 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -60.14 103.45 0.23 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.553 1.158 . . . . 0.0 109.289 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 62.91 7.64 17.64 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.472 1.107 . . . . 0.0 110.974 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' CYS . . . . . 0.441 ' C ' ' HG ' ' A' ' 51' ' ' CYS . 1.0 OUTLIER -114.97 160.35 19.67 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 108.328 -0.99 . . . . 0.0 108.328 179.989 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' CYS . . . . . 0.441 ' HG ' ' C ' ' A' ' 50' ' ' CYS . 5.6 m -148.63 113.02 5.28 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.431 1.082 . . . . 0.0 108.313 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -148.23 -177.03 22.21 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.514 1.134 . . . . 0.0 110.955 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 26.6 m-85 -91.13 159.8 15.9 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.485 0.756 . . . . 0.0 111.051 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . 0.564 HD11 HD13 ' A' ' 34' ' ' ILE . 3.3 pt -146.61 147.44 30.37 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.456 1.097 . . . . 0.0 109.331 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' PRO . . . . . 0.411 ' HD3' ' HA ' ' A' ' 54' ' ' ILE . 18.3 Cg_endo -75.03 164.04 34.07 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.464 1.77 . . . . 0.0 110.977 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -110.62 84.51 1.94 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.528 1.143 . . . . 0.0 109.315 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 2.6 t30 174.91 -38.96 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.521 1.138 . . . . 0.0 109.293 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' HIS . . . . . 0.41 ' O ' ' CG1' ' A' ' 13' ' ' ILE . 1.8 m-70 -70.2 -32.4 70.29 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.502 1.127 . . . . 0.0 109.583 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 19.5 m . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.518 1.137 . . . . 0.0 109.287 -179.971 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . 0.466 ' HA3' ' CD1' ' A' ' 33' ' ' LEU . . . . . . . . 0 CA--C 1.53 1.022 0 N-CA-C 111.009 -0.836 . . . . 0.0 111.009 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -116.48 104.09 11.09 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.526 0.78 . . . . 0.0 110.35 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . 0.437 ' HG2' HD22 ' A' ' 33' ' ' LEU . 0.7 OUTLIER -74.68 123.2 24.46 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.495 1.122 . . . . 0.0 110.296 -179.953 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . 0.405 ' O ' ' N ' ' A' ' 32' ' ' ILE . 7.6 m-85 -132.86 158.12 43.32 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.478 1.111 . . . . 0.0 110.981 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . 0.618 HG22 ' O ' ' A' ' 29' ' ' GLY . 1.6 t -117.29 142.42 31.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.489 1.118 . . . . 0.0 109.318 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -72.28 118.7 15.49 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.518 1.136 . . . . 0.0 109.258 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.413 ' N ' ' O ' ' A' ' 58' ' ' HIS . 1.5 pt -61.9 -14.5 11.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.547 1.154 . . . . 0.0 109.314 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . 0.444 ' HA ' ' CG ' ' A' ' 28' ' ' ARG . . . -166.39 179.75 5.42 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.469 1.105 . . . . 0.0 109.295 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 1.3 p30 -87.0 129.49 34.86 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.456 1.098 . . . . 0.0 109.331 179.936 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . 0.501 ' CG ' ' N ' ' A' ' 17' ' ' ALA . 77.9 t80 -122.13 170.83 9.48 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.481 1.113 . . . . 0.0 111.004 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . 0.501 ' N ' ' CG ' ' A' ' 16' ' ' TYR . . . -139.31 146.63 40.55 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.438 1.086 . . . . 0.0 109.295 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -89.69 121.83 32.23 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.504 1.128 . . . . 0.0 109.31 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 15.2 p -115.75 7.3 14.61 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.487 1.117 . . . . 0.0 110.411 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -123.04 -178.65 4.02 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.548 1.155 . . . . 0.0 109.273 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -103.76 14.99 29.82 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.524 1.14 . . . . 0.0 110.271 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 22.6 p -147.41 38.54 0.95 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.526 1.141 . . . . 0.0 110.405 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 86.0 mt-30 -131.42 164.88 24.75 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.469 1.105 . . . . 0.0 110.326 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.674 HD13 ' CG ' ' A' ' 47' ' ' ARG . 49.7 mt -117.84 142.93 46.76 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.486 1.116 . . . . 0.0 109.326 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 12.2 p -109.54 128.97 55.58 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.52 1.137 . . . . 0.0 109.981 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . 0.464 ' CE1' ' HB3' ' A' ' 16' ' ' TYR . 1.8 p90 -138.69 178.77 6.91 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.532 1.145 . . . . 0.0 110.99 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.606 HD12 ' N ' ' A' ' 28' ' ' ARG . 0.1 OUTLIER -123.21 145.12 48.91 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.484 1.115 . . . . 0.0 109.3 -179.981 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . 0.606 ' N ' HD12 ' A' ' 27' ' ' LEU . 5.2 ttt85 -43.81 107.74 0.09 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.458 1.099 . . . . 0.0 110.324 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . 0.618 ' O ' HG22 ' A' ' 11' ' ' VAL . . . 123.25 -35.98 3.19 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.518 1.136 . . . . 0.0 110.982 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -43.97 132.87 5.24 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.48 0.753 . . . . 0.0 110.307 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.06 103.98 11.24 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.514 1.134 . . . . 0.0 109.315 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.405 ' N ' ' O ' ' A' ' 10' ' ' PHE . 4.3 mm -94.75 128.73 45.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.487 1.117 . . . . 0.0 109.271 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.466 ' CD1' ' HA3' ' A' ' 7' ' ' GLY . 0.2 OUTLIER -90.25 117.91 29.36 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.517 1.136 . . . . 0.0 109.303 179.954 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.581 HD12 HD11 ' A' ' 54' ' ' ILE . 13.3 mm -93.37 105.5 16.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.522 1.139 . . . . 0.0 109.293 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.431 ' N ' HD22 ' A' ' 35' ' ' LEU . 2.5 mm? -79.13 -65.22 1.03 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.459 1.1 . . . . 0.0 109.323 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 7.1 ttt180 -126.81 141.45 51.82 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.486 1.117 . . . . 0.0 110.311 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . 0.44 ' O ' ' N ' ' A' ' 39' ' ' THR . 80.4 mt-30 -79.67 -15.58 57.31 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.448 1.093 . . . . 0.0 110.329 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . 0.82 HG22 HG23 ' A' ' 39' ' ' THR . 72.3 m 63.89 -76.78 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.523 1.139 . . . . 0.0 110.382 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . 0.82 HG23 HG22 ' A' ' 38' ' ' THR . 72.6 p -123.77 -69.56 0.81 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.506 1.128 . . . . 0.0 110.393 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . 0.587 ' HB2' ' O ' ' A' ' 39' ' ' THR . . . 170.4 -33.53 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.461 1.101 . . . . 0.0 109.31 -179.935 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 1.5 t0 -88.54 -28.19 20.93 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.509 1.131 . . . . 0.0 109.256 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' TRP . . . . . 0.402 ' O ' ' O ' ' A' ' 37' ' ' GLN . 88.7 m95 -124.95 128.23 48.27 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.507 1.129 . . . . 0.0 107.981 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' TRP . . . . . 0.405 ' O ' ' N ' ' A' ' 54' ' ' ILE . 46.9 m0 -112.87 156.64 22.58 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 108.007 -1.109 . . . . 0.0 108.007 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' TRP . . . . . 0.433 ' CE3' ' CD2' ' A' ' 53' ' ' TYR . 63.7 t-105 -109.22 117.29 33.74 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.501 1.126 . . . . 0.0 107.983 -179.95 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -115.24 -178.25 18.66 Favored Glycine 0 CA--C 1.529 0.935 0 O-C-N 124.48 1.113 . . . . 0.0 111.034 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . 0.4 ' CB ' HD21 ' A' ' 35' ' ' LEU . 45.5 tt0 -141.16 120.65 13.21 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.46 0.741 . . . . 0.0 110.28 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . 0.674 ' CG ' HD13 ' A' ' 24' ' ' LEU . 0.4 OUTLIER -92.3 -173.69 3.49 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.464 1.102 . . . . 0.0 110.293 179.969 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -62.99 103.03 0.41 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.479 1.112 . . . . 0.0 109.281 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 62.28 8.47 18.61 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.483 1.114 . . . . 0.0 111.041 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 1.1 m -115.03 161.3 18.53 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 108.314 -0.995 . . . . 0.0 108.314 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 12.5 p -148.53 111.59 4.88 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.488 1.117 . . . . 0.0 108.32 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -148.59 -176.9 22.39 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.507 1.129 . . . . 0.0 110.992 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' TYR . . . . . 0.606 ' O ' HG23 ' A' ' 54' ' ' ILE . 4.1 m-85 -91.53 173.96 7.62 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.49 0.759 . . . . 0.0 111.018 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . 0.606 HG23 ' O ' ' A' ' 53' ' ' TYR . 7.4 pt -156.76 148.04 16.79 Favored Pre-proline 0 C--N 1.324 -0.515 0 O-C-N 124.463 1.102 . . . . 0.0 109.324 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' PRO . . . . . 0.412 ' HD3' ' HA ' ' A' ' 54' ' ' ILE . 18.1 Cg_endo -75.01 155.19 42.87 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.473 1.775 . . . . 0.0 110.97 -179.948 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -99.38 78.32 2.19 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.532 1.145 . . . . 0.0 109.326 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 44.2 t-20 177.38 -41.86 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.505 1.128 . . . . 0.0 109.28 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' HIS . . . . . 0.413 ' O ' ' N ' ' A' ' 13' ' ' ILE . 3.3 m80 -64.23 -19.84 65.64 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.564 1.165 . . . . 0.0 109.614 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 10.0 m . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.517 1.136 . . . . 0.0 109.29 -179.98 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . 0.483 ' HA3' ' CD1' ' A' ' 33' ' ' LEU . . . . . . . . 0 CA--C 1.53 0.971 0 N-CA-C 111.022 -0.831 . . . . 0.0 111.022 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -123.43 107.18 11.31 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.485 0.756 . . . . 0.0 110.3 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . 0.455 ' HG3' ' CD2' ' A' ' 33' ' ' LEU . 0.3 OUTLIER -72.35 122.34 21.01 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.491 1.119 . . . . 0.0 110.279 179.973 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 5.6 m-85 -128.6 169.94 13.82 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.467 1.104 . . . . 0.0 110.999 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . 0.468 ' CG2' ' HE2' ' A' ' 31' ' ' LYS . 1.9 t -127.2 137.47 57.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.494 1.121 . . . . 0.0 109.295 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . 0.407 ' O ' ' HA ' ' A' ' 28' ' ' ARG . . . -71.09 118.34 13.74 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.5 1.125 . . . . 0.0 109.266 -179.946 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.422 ' CG1' ' O ' ' A' ' 58' ' ' HIS . 2.6 pt -71.27 -12.7 16.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.512 1.132 . . . . 0.0 109.313 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -169.74 145.59 3.08 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.516 1.135 . . . . 0.0 109.303 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 2.5 p-10 -55.63 141.27 38.32 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.542 1.151 . . . . 0.0 109.285 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . 0.402 ' HB2' ' CD2' ' A' ' 58' ' ' HIS . 43.2 t80 -129.94 158.4 39.63 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.472 1.107 . . . . 0.0 111.016 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -132.19 114.5 14.55 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.505 1.128 . . . . 0.0 109.281 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 0.69 ' HB1' ' HB2' ' A' ' 23' ' ' GLN . . . -53.89 127.22 25.28 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.457 1.098 . . . . 0.0 109.32 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -83.14 -19.34 36.85 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.458 1.099 . . . . 0.0 110.368 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -126.95 178.86 5.71 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.462 1.101 . . . . 0.0 109.34 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 4.8 pt-20 -92.36 15.76 13.19 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.492 1.12 . . . . 0.0 110.302 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 70.5 p -121.81 10.36 10.24 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.506 1.129 . . . . 0.0 110.381 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . 0.69 ' HB2' ' HB1' ' A' ' 18' ' ' ALA . 70.6 mt-30 -111.85 160.92 16.91 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.516 1.135 . . . . 0.0 110.3 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.555 HD13 ' CG ' ' A' ' 47' ' ' ARG . 32.2 mt -104.75 142.41 34.76 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.526 1.141 . . . . 0.0 109.311 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 13.1 p -114.58 133.94 55.43 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.561 1.163 . . . . 0.0 110.021 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . 0.552 ' CB ' HD11 ' A' ' 32' ' ' ILE . 2.9 p90 -144.26 -178.92 6.2 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.526 1.141 . . . . 0.0 110.962 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.581 HD12 ' N ' ' A' ' 28' ' ' ARG . 0.1 OUTLIER -123.66 143.96 49.93 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.494 1.121 . . . . 0.0 109.296 -179.996 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . 0.581 ' N ' HD12 ' A' ' 27' ' ' LEU . 7.6 ttt180 -42.15 114.7 0.58 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.509 1.13 . . . . 0.0 110.266 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 116.54 -32.21 5.64 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.47 1.106 . . . . 0.0 111.009 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -48.97 133.15 18.41 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.48 0.753 . . . . 0.0 110.303 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.468 ' HE2' ' CG2' ' A' ' 11' ' ' VAL . 9.6 mmtp -76.91 98.61 4.95 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.505 1.128 . . . . 0.0 109.28 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.552 HD11 ' CB ' ' A' ' 26' ' ' PHE . 5.8 mm -91.89 130.82 40.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.464 1.103 . . . . 0.0 109.296 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.483 ' CD1' ' HA3' ' A' ' 7' ' ' GLY . 0.2 OUTLIER -92.63 127.34 38.09 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.517 1.136 . . . . 0.0 109.321 -179.998 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.6 ' CD1' HD11 ' A' ' 54' ' ' ILE . 41.9 mm -100.72 80.35 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.448 1.093 . . . . 0.0 109.306 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.46 ' CD2' ' HB2' ' A' ' 46' ' ' GLU . 5.1 mp -48.13 -67.27 0.29 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.523 1.14 . . . . 0.0 109.297 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 7.5 mmm180 -137.28 174.5 10.54 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.454 1.096 . . . . 0.0 110.325 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . 0.407 ' O ' ' C ' ' A' ' 38' ' ' THR . 15.6 mt-30 -128.44 65.79 1.4 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.562 1.164 . . . . 0.0 110.316 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . 0.44 HG22 HG23 ' A' ' 39' ' ' THR . 19.6 m -38.44 -40.03 0.52 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.464 1.102 . . . . 0.0 110.436 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . 0.44 HG23 HG22 ' A' ' 38' ' ' THR . 44.7 p -139.52 -178.41 5.38 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.5 1.125 . . . . 0.0 110.394 179.95 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -98.64 5.1 47.98 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.536 1.148 . . . . 0.0 109.271 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -118.27 -40.17 2.97 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.511 1.132 . . . . 0.0 109.298 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' TRP . . . . . 0.427 ' CH2' ' NE2' ' A' ' 23' ' ' GLN . 93.5 m95 -120.05 126.76 51.57 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.537 1.148 . . . . 0.0 107.962 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 45.9 m0 -110.74 153.79 24.8 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.55 1.156 . . . . 0.0 108.008 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 72.6 t-105 -100.06 105.7 17.38 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.502 1.126 . . . . 0.0 108.01 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -102.83 -165.38 26.04 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.46 1.1 . . . . 0.0 111.009 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . 0.46 ' HB2' ' CD2' ' A' ' 35' ' ' LEU . 19.9 tt0 -162.31 120.71 2.21 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.53 0.782 . . . . 0.0 110.258 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . 0.555 ' CG ' HD13 ' A' ' 24' ' ' LEU . 2.4 mmm180 -92.91 -173.86 3.42 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.484 1.115 . . . . 0.0 110.252 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -60.38 103.5 0.24 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.55 1.156 . . . . 0.0 109.284 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 62.9 7.83 18.7 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.538 1.148 . . . . 0.0 111.055 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' CYS . . . . . 0.439 ' C ' ' HG ' ' A' ' 51' ' ' CYS . 1.2 m -114.86 158.42 21.96 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 108.328 -0.99 . . . . 0.0 108.328 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' CYS . . . . . 0.439 ' HG ' ' C ' ' A' ' 50' ' ' CYS . 4.0 m -148.37 112.8 5.29 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.474 1.109 . . . . 0.0 108.354 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -148.42 -177.95 23.13 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.486 1.116 . . . . 0.0 110.964 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 2.5 m-85 -91.68 143.51 26.47 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.462 0.743 . . . . 0.0 111.016 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . 0.6 HD11 ' CD1' ' A' ' 34' ' ' ILE . 3.5 pt -126.17 150.56 70.07 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.475 1.11 . . . . 0.0 109.321 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' PRO . . . . . 0.404 ' HD3' ' HA ' ' A' ' 54' ' ' ILE . 18.1 Cg_endo -75.07 165.48 31.12 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.545 1.813 . . . . 0.0 110.943 -179.953 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -113.45 81.01 1.44 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.515 1.134 . . . . 0.0 109.331 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . 0.422 ' O ' HD11 ' A' ' 13' ' ' ILE . 3.1 t30 176.66 -40.45 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.514 1.134 . . . . 0.0 109.326 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' HIS . . . . . 0.422 ' O ' ' CG1' ' A' ' 13' ' ' ILE . 54.2 m80 -68.15 -23.19 64.85 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.506 1.129 . . . . 0.0 109.608 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 13.8 m . . . . . 0 C--N 1.325 -0.493 0 O-C-N 124.529 1.143 . . . . 0.0 109.286 -179.969 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . 0.469 ' HA3' ' CD1' ' A' ' 33' ' ' LEU . . . . . . . . 0 CA--C 1.53 0.981 0 N-CA-C 111.041 -0.824 . . . . 0.0 111.041 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -114.24 127.42 55.87 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.508 0.769 . . . . 0.0 110.288 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . 0.494 ' HG3' HD22 ' A' ' 33' ' ' LEU . 0.2 OUTLIER -89.47 107.66 19.2 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.521 1.138 . . . . 0.0 110.321 179.99 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 12.0 m-85 -106.88 160.44 15.51 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.508 1.13 . . . . 0.0 111.01 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . 0.603 HG13 ' HA2' ' A' ' 29' ' ' GLY . 2.3 t -115.09 134.6 57.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.52 1.138 . . . . 0.0 109.278 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -71.67 117.93 13.86 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.535 1.147 . . . . 0.0 109.249 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.421 ' N ' ' O ' ' A' ' 58' ' ' HIS . 2.4 pt -60.26 -16.25 11.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.494 1.121 . . . . 0.0 109.259 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -172.57 156.58 3.66 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.469 1.106 . . . . 0.0 109.295 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -61.27 147.9 42.92 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.505 1.128 . . . . 0.0 109.296 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . 0.571 ' CD1' ' NE2' ' A' ' 58' ' ' HIS . 27.5 t80 -133.38 153.25 51.76 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.465 1.103 . . . . 0.0 111.015 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -126.22 109.71 12.62 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.455 1.097 . . . . 0.0 109.309 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 0.494 ' HB1' ' HB2' ' A' ' 23' ' ' GLN . . . -61.16 124.44 20.55 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.472 1.107 . . . . 0.0 109.261 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 71.7 p -85.45 -22.8 28.12 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.49 1.119 . . . . 0.0 110.429 179.945 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -118.39 -178.04 3.43 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.555 1.159 . . . . 0.0 109.326 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -97.54 16.47 20.26 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.482 1.113 . . . . 0.0 110.297 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 81.0 p -116.82 -5.68 11.53 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 0.0 110.422 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . 0.494 ' HB2' ' HB1' ' A' ' 18' ' ' ALA . 78.0 mt-30 -102.72 154.16 19.44 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.466 1.104 . . . . 0.0 110.31 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.649 HD13 ' CG ' ' A' ' 47' ' ' ARG . 18.2 mt -104.16 137.15 42.51 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.5 1.125 . . . . 0.0 109.292 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 13.1 p -105.12 137.44 42.88 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 0.0 109.98 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . 0.48 ' CB ' HD11 ' A' ' 32' ' ' ILE . 1.4 p90 -147.54 174.24 11.92 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.527 1.142 . . . . 0.0 110.997 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.677 HD12 ' N ' ' A' ' 28' ' ' ARG . 0.1 OUTLIER -114.44 144.16 43.77 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.503 1.127 . . . . 0.0 109.292 -179.986 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . 0.677 ' N ' HD12 ' A' ' 27' ' ' LEU . 6.9 ttp180 -42.32 119.58 1.42 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.452 1.095 . . . . 0.0 110.311 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . 0.603 ' HA2' HG13 ' A' ' 11' ' ' VAL . . . 107.88 -33.64 6.16 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.521 1.138 . . . . 0.0 111.033 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 4.9 mt-10 -42.55 131.36 3.87 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.491 0.759 . . . . 0.0 110.284 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.46 ' HE2' ' CG2' ' A' ' 11' ' ' VAL . 0.0 OUTLIER -78.54 104.29 9.05 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.541 1.151 . . . . 0.0 109.267 -179.988 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.48 HD11 ' CB ' ' A' ' 26' ' ' PHE . 5.0 mm -95.46 134.57 32.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.527 1.142 . . . . 0.0 109.297 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.494 HD22 ' HG3' ' A' ' 9' ' ' GLU . 0.1 OUTLIER -92.43 130.63 38.05 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.484 1.115 . . . . 0.0 109.323 179.963 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.611 ' CD1' HD11 ' A' ' 54' ' ' ILE . 18.2 mm -107.42 96.59 4.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.56 1.163 . . . . 0.0 109.273 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.805 HD21 ' HB3' ' A' ' 46' ' ' GLU . 0.9 OUTLIER -69.31 -65.32 0.73 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.444 1.09 . . . . 0.0 109.299 179.998 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -133.22 -177.54 4.57 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.522 1.139 . . . . 0.0 110.292 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . 0.401 ' O ' ' C ' ' A' ' 38' ' ' THR . 78.4 mt-30 -131.02 105.49 7.77 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.473 1.108 . . . . 0.0 110.306 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . 0.401 ' C ' ' O ' ' A' ' 37' ' ' GLN . 18.9 m -38.59 -66.26 0.29 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.533 1.145 . . . . 0.0 110.43 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . 0.515 ' O ' ' HB2' ' A' ' 40' ' ' ALA . 60.6 p -134.05 -51.82 0.84 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.507 1.129 . . . . 0.0 110.442 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . 0.515 ' HB2' ' O ' ' A' ' 39' ' ' THR . . . 174.69 -35.56 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.454 1.096 . . . . 0.0 109.33 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -90.44 -33.99 15.78 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.543 1.152 . . . . 0.0 109.296 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 97.3 m95 -108.51 123.55 49.07 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 107.949 -1.13 . . . . 0.0 107.949 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 46.4 m0 -114.13 150.86 33.48 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.496 1.122 . . . . 0.0 108.012 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 73.0 t-105 -100.2 105.83 17.46 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.47 1.106 . . . . 0.0 108.041 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . 0.485 ' C ' ' CD2' ' A' ' 35' ' ' LEU . . . -102.44 -165.14 26.41 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.479 1.112 . . . . 0.0 110.943 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . 0.805 ' HB3' HD21 ' A' ' 35' ' ' LEU . 4.4 tt0 -156.95 120.64 4.22 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.472 0.748 . . . . 0.0 110.258 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . 0.649 ' CG ' HD13 ' A' ' 24' ' ' LEU . 0.9 OUTLIER -90.89 -173.11 3.58 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.514 1.133 . . . . 0.0 110.288 179.976 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -60.83 102.3 0.19 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.538 1.149 . . . . 0.0 109.327 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 61.94 9.74 22.46 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.512 1.133 . . . . 0.0 110.956 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 1.3 m -115.02 164.5 14.07 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 108.314 -0.995 . . . . 0.0 108.314 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 7.5 m -148.91 112.28 4.98 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.531 1.145 . . . . 0.0 108.304 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -148.52 -176.84 22.28 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.472 1.107 . . . . 0.0 110.976 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' TYR . . . . . 0.628 ' O ' HG23 ' A' ' 54' ' ' ILE . 30.3 m-85 -87.44 169.68 12.02 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.506 0.768 . . . . 0.0 111.005 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . 0.628 HG23 ' O ' ' A' ' 53' ' ' TYR . 3.6 pt -158.11 147.39 14.84 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.487 1.117 . . . . 0.0 109.314 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' PRO . . . . . 0.565 ' HG2' ' CD2' ' A' ' 58' ' ' HIS . 18.3 Cg_endo -75.01 162.09 37.66 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.491 1.784 . . . . 0.0 111.009 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -101.47 23.24 11.37 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.498 1.124 . . . . 0.0 109.347 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 53.2 m-80 -122.48 -45.84 2.18 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.508 1.13 . . . . 0.0 109.319 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' HIS . . . . . 0.571 ' NE2' ' CD1' ' A' ' 16' ' ' TYR . 4.4 m-70 -55.25 -26.15 37.97 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.515 1.134 . . . . 0.0 109.567 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 13.8 m . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.511 1.132 . . . . 0.0 109.348 179.956 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . 0.476 ' HA3' ' CD1' ' A' ' 33' ' ' LEU . . . . . . . . 0 CA--C 1.53 0.972 0 N-CA-C 111.041 -0.823 . . . . 0.0 111.041 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -122.19 105.86 10.62 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.476 0.751 . . . . 0.0 110.314 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . 0.456 ' HG2' HD22 ' A' ' 33' ' ' LEU . 0.4 OUTLIER -69.05 122.57 18.98 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.471 1.107 . . . . 0.0 110.34 179.949 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 6.3 m-85 -132.51 165.37 24.49 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.471 1.107 . . . . 0.0 110.971 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . 0.696 HG13 ' HA2' ' A' ' 29' ' ' GLY . 2.3 t -121.32 137.25 55.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.508 1.13 . . . . 0.0 109.304 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -71.07 117.92 13.19 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.544 1.153 . . . . 0.0 109.302 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.431 ' N ' ' O ' ' A' ' 58' ' ' HIS . 2.5 pt -61.17 -21.1 23.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 0.0 109.289 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -165.96 150.66 8.3 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.526 1.142 . . . . 0.0 109.3 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -56.18 146.72 22.47 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.54 1.15 . . . . 0.0 109.288 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . 0.444 ' OH ' ' NE2' ' A' ' 23' ' ' GLN . 27.1 t80 -133.86 155.76 49.28 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.518 1.136 . . . . 0.0 110.953 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -129.54 110.54 11.93 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.507 1.129 . . . . 0.0 109.288 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 0.45 ' HB1' ' HB2' ' A' ' 23' ' ' GLN . . . -52.97 120.26 5.63 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.537 1.148 . . . . 0.0 109.353 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -79.36 -22.41 44.45 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.468 1.105 . . . . 0.0 110.412 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -122.22 -178.57 3.91 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.508 1.13 . . . . 0.0 109.32 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 2.1 pt-20 -97.54 18.0 16.42 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.537 1.148 . . . . 0.0 110.301 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 66.9 p -127.34 34.79 4.65 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.49 1.119 . . . . 0.0 110.387 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . 0.45 ' HB2' ' HB1' ' A' ' 18' ' ' ALA . 59.6 mt-30 -137.83 166.93 22.81 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.544 1.153 . . . . 0.0 110.233 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.634 HD13 ' CG ' ' A' ' 47' ' ' ARG . 14.0 mt -106.93 132.58 52.72 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.454 1.096 . . . . 0.0 109.303 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 12.5 p -104.7 129.1 52.94 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.531 1.144 . . . . 0.0 109.998 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . 0.67 ' CB ' HD11 ' A' ' 32' ' ' ILE . 3.2 p90 -139.69 -179.0 5.67 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.5 1.125 . . . . 0.0 111.033 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.684 HD12 ' N ' ' A' ' 28' ' ' ARG . 0.1 OUTLIER -125.21 144.26 50.54 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.495 1.122 . . . . 0.0 109.3 -179.989 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . 0.684 ' N ' HD12 ' A' ' 27' ' ' LEU . 3.5 ttp85 -38.76 118.4 0.75 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.504 1.127 . . . . 0.0 110.312 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . 0.696 ' HA2' HG13 ' A' ' 11' ' ' VAL . . . 107.7 -37.93 3.58 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.536 1.148 . . . . 0.0 110.953 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 4.6 mt-10 -38.67 129.64 1.45 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.494 0.761 . . . . 0.0 110.316 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.461 ' HE2' ' CG2' ' A' ' 11' ' ' VAL . 26.0 mmtt -75.98 102.62 5.69 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.52 1.137 . . . . 0.0 109.297 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.67 HD11 ' CB ' ' A' ' 26' ' ' PHE . 5.2 mm -94.98 127.16 47.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.557 1.161 . . . . 0.0 109.31 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.476 ' CD1' ' HA3' ' A' ' 7' ' ' GLY . 0.1 OUTLIER -88.59 117.87 27.85 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.467 1.105 . . . . 0.0 109.315 -179.99 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.654 ' CD1' HD11 ' A' ' 54' ' ' ILE . 43.0 mm -92.06 83.01 1.87 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.491 1.119 . . . . 0.0 109.309 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.46 ' CD2' ' HB2' ' A' ' 46' ' ' GLU . 5.5 mp -49.44 -68.61 0.16 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.546 1.154 . . . . 0.0 109.265 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 26.5 mtt180 -135.45 173.47 11.68 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.522 1.139 . . . . 0.0 110.314 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . 0.408 ' HG2' ' CE2' ' A' ' 43' ' ' TRP . 5.4 mp0 -131.36 68.42 1.49 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.522 1.139 . . . . 0.0 110.251 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . 0.4 ' C ' ' O ' ' A' ' 37' ' ' GLN . 82.6 p -38.32 -44.5 0.9 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.5 1.125 . . . . 0.0 110.396 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 29.7 p -131.93 -177.69 4.55 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.533 1.146 . . . . 0.0 110.394 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -97.97 6.52 47.59 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.488 1.117 . . . . 0.0 109.267 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 7.5 m-20 -121.38 -42.06 2.47 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.451 1.094 . . . . 0.0 109.313 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 90.2 m95 -112.17 127.27 55.89 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 108.003 -1.11 . . . . 0.0 108.003 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' TRP . . . . . 0.408 ' CE2' ' HG2' ' A' ' 37' ' ' GLN . 45.0 m0 -113.98 151.86 31.74 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.532 1.145 . . . . 0.0 107.999 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 72.6 t-105 -99.91 104.79 16.45 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.499 1.124 . . . . 0.0 108.049 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -104.06 175.37 22.99 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.522 1.139 . . . . 0.0 110.955 -179.927 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . 0.46 ' HB2' ' CD2' ' A' ' 35' ' ' LEU . 21.5 tt0 -146.67 120.78 9.46 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.525 0.78 . . . . 0.0 110.332 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . 0.634 ' CG ' HD13 ' A' ' 24' ' ' LEU . 0.0 OUTLIER -94.59 -175.35 3.58 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.541 1.15 . . . . 0.0 110.302 -179.996 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -57.96 103.25 0.13 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.458 1.099 . . . . 0.0 109.29 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 62.56 8.73 21.59 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.529 1.143 . . . . 0.0 111.005 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' CYS . . . . . 0.482 ' C ' ' HG ' ' A' ' 51' ' ' CYS . 1.2 m -114.71 155.0 27.46 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 108.293 -1.003 . . . . 0.0 108.293 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' CYS . . . . . 0.482 ' HG ' ' C ' ' A' ' 50' ' ' CYS . 3.7 m -148.24 111.95 5.07 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.499 1.124 . . . . 0.0 108.27 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -148.76 -176.91 22.53 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.488 1.117 . . . . 0.0 111.029 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 1.2 m-85 -94.15 143.99 25.89 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.539 0.787 . . . . 0.0 110.99 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . 0.654 HD11 ' CD1' ' A' ' 34' ' ' ILE . 4.7 pt -128.76 149.99 73.67 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.465 1.103 . . . . 0.0 109.29 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' PRO . . . . . 0.402 ' HD3' ' HA ' ' A' ' 54' ' ' ILE . 18.2 Cg_endo -75.01 166.64 28.78 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.5 1.79 . . . . 0.0 111.008 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -109.75 81.9 1.51 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.504 1.128 . . . . 0.0 109.328 180.0 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 27.6 t30 175.42 -41.48 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.453 1.096 . . . . 0.0 109.29 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' HIS . . . . . 0.431 ' O ' ' N ' ' A' ' 13' ' ' ILE . 12.5 m-70 -65.01 -22.68 67.03 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.527 1.142 . . . . 0.0 109.577 -179.922 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 14.5 m . . . . . 0 C--N 1.325 -0.464 0 O-C-N 124.541 1.151 . . . . 0.0 109.317 179.977 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . 0.465 ' HA3' ' CD1' ' A' ' 33' ' ' LEU . . . . . . . . 0 CA--C 1.53 0.995 0 N-CA-C 110.973 -0.851 . . . . 0.0 110.973 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 23.3 mt-10 -114.02 127.65 56.04 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.482 0.754 . . . . 0.0 110.28 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . 0.464 ' HG3' HD22 ' A' ' 33' ' ' LEU . 0.4 OUTLIER -87.66 109.35 19.61 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.477 1.111 . . . . 0.0 110.34 179.972 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 13.8 m-85 -110.7 161.18 16.01 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.506 1.129 . . . . 0.0 110.971 -179.95 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . 0.538 HG13 ' HA2' ' A' ' 29' ' ' GLY . 2.3 t -119.49 136.49 56.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.471 1.107 . . . . 0.0 109.275 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -72.82 117.87 15.07 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.464 1.103 . . . . 0.0 109.29 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.44 ' N ' ' O ' ' A' ' 58' ' ' HIS . 3.1 pt -61.17 -15.71 12.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.523 1.139 . . . . 0.0 109.276 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -170.13 152.18 4.16 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.514 1.134 . . . . 0.0 109.288 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -55.8 148.25 17.15 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.512 1.133 . . . . 0.0 109.273 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . 0.448 ' HB3' ' CE1' ' A' ' 26' ' ' PHE . 26.7 t80 -130.17 161.62 30.71 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.493 1.121 . . . . 0.0 111.07 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . 0.404 ' N ' ' CG ' ' A' ' 16' ' ' TYR . . . -135.76 107.65 7.1 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.532 1.145 . . . . 0.0 109.294 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 0.472 ' HB1' ' HB2' ' A' ' 23' ' ' GLN . . . -52.93 119.04 4.18 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.532 1.145 . . . . 0.0 109.304 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -78.01 -26.47 48.52 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.509 1.131 . . . . 0.0 110.407 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 1.3 t0 -118.32 -175.82 2.94 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.574 1.172 . . . . 0.0 109.302 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -100.22 17.97 19.95 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.527 1.142 . . . . 0.0 110.342 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 75.6 p -123.14 7.47 9.17 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.485 1.115 . . . . 0.0 110.389 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . 0.472 ' HB2' ' HB1' ' A' ' 18' ' ' ALA . 64.8 mt-30 -108.26 166.83 10.46 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.476 1.11 . . . . 0.0 110.289 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.699 HD13 ' HG2' ' A' ' 47' ' ' ARG . 14.5 mt -111.74 126.94 55.59 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.531 1.144 . . . . 0.0 109.322 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 56.5 p -97.72 137.78 36.09 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.515 1.134 . . . . 0.0 110.023 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . 0.45 ' CB ' HD11 ' A' ' 32' ' ' ILE . 1.5 p90 -147.5 173.19 12.9 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.548 1.155 . . . . 0.0 111.032 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.595 HD12 ' N ' ' A' ' 28' ' ' ARG . 0.1 OUTLIER -116.75 143.3 45.83 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.5 1.125 . . . . 0.0 109.25 -179.95 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . 0.595 ' N ' HD12 ' A' ' 27' ' ' LEU . 4.1 ttp180 -40.1 120.12 1.13 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.464 1.103 . . . . 0.0 110.313 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . 0.538 ' HA2' HG13 ' A' ' 11' ' ' VAL . . . 107.51 -31.65 7.87 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.465 1.103 . . . . 0.0 110.999 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 4.4 mt-10 -43.94 128.24 5.57 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.516 0.774 . . . . 0.0 110.283 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 10.2 mmtp -76.6 99.11 4.89 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.539 1.149 . . . . 0.0 109.352 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.45 HD11 ' CB ' ' A' ' 26' ' ' PHE . 5.4 mm -90.65 146.22 6.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.461 1.101 . . . . 0.0 109.33 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.465 ' CD1' ' HA3' ' A' ' 7' ' ' GLY . 0.1 OUTLIER -108.36 127.07 53.56 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.473 1.108 . . . . 0.0 109.35 179.944 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.538 ' CD1' ' CD1' ' A' ' 54' ' ' ILE . 22.3 mm -103.31 104.67 16.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.517 1.136 . . . . 0.0 109.297 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.432 HD21 ' CB ' ' A' ' 46' ' ' GLU . 2.7 mm? -76.6 -66.63 0.79 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.547 1.154 . . . . 0.0 109.336 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 3.7 mtt-85 -127.24 166.38 17.87 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.515 1.134 . . . . 0.0 110.293 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . 0.438 ' O ' ' N ' ' A' ' 39' ' ' THR . 56.2 mt-30 -102.36 -31.65 10.39 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.457 1.098 . . . . 0.0 110.321 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 26.5 m 66.31 -70.52 0.1 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.508 1.13 . . . . 0.0 110.427 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . 0.48 ' O ' ' HB2' ' A' ' 40' ' ' ALA . 2.4 p -115.56 -80.58 0.6 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.449 1.093 . . . . 0.0 110.365 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . 0.48 ' HB2' ' O ' ' A' ' 39' ' ' THR . . . 176.55 -45.57 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.505 1.128 . . . . 0.0 109.291 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -80.89 -32.27 34.91 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.516 1.135 . . . . 0.0 109.305 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' TRP . . . . . 0.407 ' O ' ' O ' ' A' ' 37' ' ' GLN . 88.2 m95 -112.68 123.36 50.12 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.479 1.112 . . . . 0.0 108.019 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' TRP . . . . . 0.428 ' NE1' ' O ' ' A' ' 40' ' ' ALA . 47.4 m0 -113.05 161.71 16.75 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.503 1.127 . . . . 0.0 108.024 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 67.0 t-105 -111.67 114.52 27.59 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 107.955 -1.128 . . . . 0.0 107.955 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -111.06 -169.81 19.12 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.515 1.134 . . . . 0.0 111.027 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . 0.432 ' CB ' HD21 ' A' ' 35' ' ' LEU . 43.2 tt0 -150.25 120.76 7.42 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.502 0.766 . . . . 0.0 110.351 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . 0.699 ' HG2' HD13 ' A' ' 24' ' ' LEU . 0.0 OUTLIER -92.36 -172.89 3.24 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.496 1.123 . . . . 0.0 110.326 179.998 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -63.15 102.79 0.41 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.451 1.094 . . . . 0.0 109.337 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 62.54 8.4 19.79 Favored Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.516 1.135 . . . . 0.0 111.03 -179.932 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 1.3 m -115.06 161.78 17.89 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 108.307 -0.998 . . . . 0.0 108.307 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 11.8 p -148.69 112.22 5.03 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.435 1.084 . . . . 0.0 108.288 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -148.47 -176.89 22.28 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.496 1.122 . . . . 0.0 111.039 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 14.5 m-85 -91.14 160.51 15.53 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.518 0.775 . . . . 0.0 110.999 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . 0.538 ' CD1' ' CD1' ' A' ' 34' ' ' ILE . 4.8 pt -143.55 146.63 36.24 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 0.0 109.302 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' PRO . . . . . 0.411 ' HD3' ' HA ' ' A' ' 54' ' ' ILE . 18.2 Cg_endo -74.98 164.26 33.72 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.481 1.78 . . . . 0.0 111.011 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -110.59 82.47 1.6 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.514 1.134 . . . . 0.0 109.29 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 47.5 t30 177.14 -39.31 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.491 1.119 . . . . 0.0 109.323 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' HIS . . . . . 0.44 ' O ' ' N ' ' A' ' 13' ' ' ILE . 9.9 m-70 -67.69 -26.06 65.99 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.504 1.127 . . . . 0.0 109.584 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 11.2 m . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.504 1.128 . . . . 0.0 109.307 179.981 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . 0.475 ' HA3' ' CD1' ' A' ' 33' ' ' LEU . . . . . . . . 0 CA--C 1.53 0.97 0 N-CA-C 111.019 -0.832 . . . . 0.0 111.019 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 -122.85 117.43 25.61 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.515 0.773 . . . . 0.0 110.328 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . 0.464 ' HG3' ' CD2' ' A' ' 33' ' ' LEU . 0.1 OUTLIER -76.84 108.19 9.69 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.513 1.133 . . . . 0.0 110.297 -179.997 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 10.3 m-85 -112.1 162.06 15.83 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.532 1.145 . . . . 0.0 111.033 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . 0.488 HG13 ' HA2' ' A' ' 29' ' ' GLY . 2.4 t -122.53 138.14 53.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.523 1.139 . . . . 0.0 109.311 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -70.96 117.92 13.07 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.486 1.116 . . . . 0.0 109.33 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 3.0 pt -67.29 -14.14 17.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.472 1.108 . . . . 0.0 109.311 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -165.82 145.95 6.55 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.49 1.119 . . . . 0.0 109.314 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . 0.439 ' N ' ' OD1' ' A' ' 15' ' ' ASP . 0.1 OUTLIER -64.49 136.69 57.31 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.512 1.132 . . . . 0.0 109.296 -179.981 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 33.0 t80 -124.44 158.55 32.54 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.514 1.134 . . . . 0.0 111.023 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . 0.553 ' O ' HG23 ' A' ' 19' ' ' THR . . . -125.11 112.8 16.92 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.515 1.135 . . . . 0.0 109.273 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -54.72 114.56 1.75 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.493 1.121 . . . . 0.0 109.337 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . 0.553 HG23 ' O ' ' A' ' 17' ' ' ALA . 16.3 p -102.48 5.19 39.38 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.128 . . . . 0.0 110.39 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 3.0 t0 -127.73 178.75 5.93 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.515 1.134 . . . . 0.0 109.265 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 0.419 ' HG2' HG23 ' A' ' 22' ' ' THR . 0.3 OUTLIER -100.77 5.75 43.67 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.503 1.127 . . . . 0.0 110.317 179.954 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . 0.419 HG23 ' HG2' ' A' ' 21' ' ' GLU . 52.8 p -133.83 49.07 2.3 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.458 1.099 . . . . 0.0 110.423 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 91.2 mt-30 -145.1 167.27 23.13 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.49 1.119 . . . . 0.0 110.273 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.814 HD13 ' CG ' ' A' ' 47' ' ' ARG . 16.1 mt -114.77 144.48 43.41 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.438 1.087 . . . . 0.0 109.268 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 12.9 p -112.27 129.13 56.38 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.489 1.118 . . . . 0.0 110.011 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . 0.473 ' CB ' HD11 ' A' ' 32' ' ' ILE . 2.5 p90 -139.47 179.7 6.39 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.486 1.116 . . . . 0.0 111.041 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.674 HD12 ' N ' ' A' ' 28' ' ' ARG . 0.1 OUTLIER -124.15 144.96 49.6 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.516 1.135 . . . . 0.0 109.312 179.981 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . 0.674 ' N ' HD12 ' A' ' 27' ' ' LEU . 3.5 ttt180 -43.65 113.17 0.47 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.514 1.134 . . . . 0.0 110.315 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . 0.488 ' HA2' HG13 ' A' ' 11' ' ' VAL . . . 115.39 -29.11 7.48 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.525 1.14 . . . . 0.0 110.965 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -49.51 130.52 20.37 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.512 0.772 . . . . 0.0 110.295 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 9.3 mmtt -76.48 101.88 5.79 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.503 1.127 . . . . 0.0 109.328 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.473 HD11 ' CB ' ' A' ' 26' ' ' PHE . 5.2 mm -93.25 140.36 16.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.504 1.128 . . . . 0.0 109.286 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.475 ' CD1' ' HA3' ' A' ' 7' ' ' GLY . 0.2 OUTLIER -105.33 121.54 44.09 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.464 1.102 . . . . 0.0 109.287 179.984 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.595 ' CD1' HD11 ' A' ' 54' ' ' ILE . 36.6 mm -98.24 105.5 17.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.421 1.076 . . . . 0.0 109.294 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.433 HD21 ' CB ' ' A' ' 46' ' ' GLU . 2.8 mm? -75.46 -68.42 0.56 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.486 1.116 . . . . 0.0 109.312 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 4.0 mmt180 -123.64 167.23 14.23 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.524 1.14 . . . . 0.0 110.303 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . 0.437 ' O ' ' N ' ' A' ' 39' ' ' THR . 87.8 mt-30 -99.96 -30.12 12.18 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.463 1.102 . . . . 0.0 110.312 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 4.9 m 67.64 -67.53 0.18 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.517 1.136 . . . . 0.0 110.364 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . 0.453 ' O ' ' HB2' ' A' ' 40' ' ' ALA . 27.5 p -124.8 -79.62 0.61 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.538 1.149 . . . . 0.0 110.387 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . 0.453 ' HB2' ' O ' ' A' ' 39' ' ' THR . . . 178.18 -37.16 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.431 1.082 . . . . 0.0 109.342 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . 0.434 ' O ' ' N ' ' A' ' 56' ' ' ALA . 9.3 m-20 -89.05 -37.39 15.17 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.531 1.145 . . . . 0.0 109.301 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 94.8 m95 -108.28 123.12 48.31 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.527 1.142 . . . . 0.0 107.998 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 44.5 m0 -112.93 161.93 16.43 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 107.988 -1.116 . . . . 0.0 107.988 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' TRP . . . . . 0.428 ' CZ3' ' CD2' ' A' ' 53' ' ' TYR . 68.2 t-105 -111.94 115.7 29.4 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.47 1.106 . . . . 0.0 108.025 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -112.47 -172.21 18.71 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.494 1.121 . . . . 0.0 110.954 -179.928 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . 0.433 ' CB ' HD21 ' A' ' 35' ' ' LEU . 46.2 tt0 -148.35 120.6 8.37 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.488 0.758 . . . . 0.0 110.331 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . 0.814 ' CG ' HD13 ' A' ' 24' ' ' LEU . 4.3 mmm180 -92.59 -174.11 3.56 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.437 1.086 . . . . 0.0 110.343 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -62.07 103.04 0.33 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.513 1.133 . . . . 0.0 109.315 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 62.59 8.36 19.86 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.537 1.148 . . . . 0.0 110.988 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 1.2 m -114.85 162.18 17.24 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 108.306 -0.998 . . . . 0.0 108.306 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 12.8 p -148.51 111.8 4.95 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.534 1.146 . . . . 0.0 108.315 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -148.59 -176.86 22.35 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.499 1.125 . . . . 0.0 110.987 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' TYR . . . . . 0.621 ' O ' HG23 ' A' ' 54' ' ' ILE . 26.8 m-85 -90.93 174.07 7.63 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.506 0.768 . . . . 0.0 111.008 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . 0.621 HG23 ' O ' ' A' ' 53' ' ' TYR . 3.7 pt -158.14 146.18 13.91 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.475 1.109 . . . . 0.0 109.321 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' PRO . . . . . 0.411 ' HD3' ' HA ' ' A' ' 54' ' ' ILE . 18.0 Cg_endo -75.05 159.71 40.86 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.507 1.793 . . . . 0.0 110.995 -179.955 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . 0.434 ' N ' ' O ' ' A' ' 41' ' ' ASP . . . -103.44 81.47 1.93 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.512 1.133 . . . . 0.0 109.261 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 40.4 t-20 178.01 -45.3 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.537 1.148 . . . . 0.0 109.273 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 1.8 m-70 -61.66 -27.46 68.69 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.526 1.141 . . . . 0.0 109.625 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 18.1 m . . . . . 0 C--N 1.324 -0.515 0 O-C-N 124.516 1.135 . . . . 0.0 109.32 179.961 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . 0.471 ' HA3' ' CD1' ' A' ' 33' ' ' LEU . . . . . . . . 0 CA--C 1.53 1.002 0 N-CA-C 110.991 -0.844 . . . . 0.0 110.991 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 7.0 mt-10 -124.45 117.21 23.9 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.527 0.781 . . . . 0.0 110.327 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . 0.457 ' HG2' HD22 ' A' ' 33' ' ' LEU . 0.5 OUTLIER -80.67 115.02 19.96 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.517 1.136 . . . . 0.0 110.284 -179.979 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 6.3 m-85 -119.04 159.35 24.07 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.451 1.094 . . . . 0.0 110.978 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . 0.601 HG13 ' HA2' ' A' ' 29' ' ' GLY . 2.2 t -116.63 133.85 61.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.452 1.095 . . . . 0.0 109.296 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -70.97 117.73 12.84 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.459 1.1 . . . . 0.0 109.292 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 2.8 pt -61.38 -16.27 14.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.494 1.121 . . . . 0.0 109.289 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -167.83 158.51 10.87 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.533 1.146 . . . . 0.0 109.321 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 7.7 p-10 -63.39 140.2 58.85 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.544 1.153 . . . . 0.0 109.3 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . 0.538 ' HB3' ' CE1' ' A' ' 26' ' ' PHE . 26.4 t80 -130.73 149.78 52.22 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.513 1.133 . . . . 0.0 110.994 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -127.5 116.9 21.11 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.505 1.128 . . . . 0.0 109.256 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 0.592 ' HB1' ' HB2' ' A' ' 23' ' ' GLN . . . -53.53 124.48 15.06 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.476 1.11 . . . . 0.0 109.3 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -82.92 -25.95 31.92 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.53 1.144 . . . . 0.0 110.382 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -122.16 -179.47 4.18 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.511 1.132 . . . . 0.0 109.293 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -90.84 16.86 8.57 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.485 1.116 . . . . 0.0 110.31 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 79.6 p -125.86 28.64 6.1 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.516 1.135 . . . . 0.0 110.394 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . 0.592 ' HB2' ' HB1' ' A' ' 18' ' ' ALA . 63.7 mt-30 -135.51 164.05 28.68 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.47 1.106 . . . . 0.0 110.303 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.708 HD13 ' CG ' ' A' ' 47' ' ' ARG . 16.8 mt -110.58 139.01 46.24 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.467 1.105 . . . . 0.0 109.287 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -108.77 128.81 55.21 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.485 1.116 . . . . 0.0 109.993 -179.953 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . 0.538 ' CE1' ' HB3' ' A' ' 16' ' ' TYR . 2.6 p90 -137.66 179.91 6.14 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.465 1.103 . . . . 0.0 111.018 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.606 HD12 ' N ' ' A' ' 28' ' ' ARG . 0.1 OUTLIER -120.98 142.78 49.46 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.549 1.156 . . . . 0.0 109.264 -179.995 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . 0.606 ' N ' HD12 ' A' ' 27' ' ' LEU . 6.3 ttp180 -39.03 118.73 0.81 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.487 1.117 . . . . 0.0 110.297 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . 0.601 ' HA2' HG13 ' A' ' 11' ' ' VAL . . . 108.34 -34.97 5.26 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.542 1.151 . . . . 0.0 110.984 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 -38.85 134.45 0.98 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.524 0.779 . . . . 0.0 110.277 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 7.1 mmtt -79.92 102.42 9.17 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.507 1.13 . . . . 0.0 109.279 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.514 HD11 ' CB ' ' A' ' 26' ' ' PHE . 4.4 mm -94.09 135.82 27.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.461 1.1 . . . . 0.0 109.294 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.471 ' CD1' ' HA3' ' A' ' 7' ' ' GLY . 0.1 OUTLIER -102.39 117.84 35.6 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.499 1.124 . . . . 0.0 109.263 -179.958 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.489 ' CD1' HD11 ' A' ' 54' ' ' ILE . 15.7 mm -92.31 108.07 19.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.465 1.103 . . . . 0.0 109.289 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.437 ' N ' HD22 ' A' ' 35' ' ' LEU . 2.6 mm? -78.69 -68.05 0.69 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.546 1.154 . . . . 0.0 109.297 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 28.0 mtt-85 -122.41 173.17 7.82 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.531 1.145 . . . . 0.0 110.286 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . 0.426 ' O ' ' N ' ' A' ' 39' ' ' THR . 55.8 mt-30 -104.75 -30.25 10.03 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.488 1.118 . . . . 0.0 110.312 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 7.8 m 67.41 -68.32 0.16 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.475 1.11 . . . . 0.0 110.37 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . 0.54 ' O ' ' HB2' ' A' ' 40' ' ' ALA . 33.5 p -126.12 -74.87 0.59 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.508 1.13 . . . . 0.0 110.428 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . 0.54 ' HB2' ' O ' ' A' ' 39' ' ' THR . . . 173.09 -34.78 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.434 1.084 . . . . 0.0 109.295 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -90.82 -34.52 15.26 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.518 1.136 . . . . 0.0 109.257 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' TRP . . . . . 0.4 ' O ' ' O ' ' A' ' 37' ' ' GLN . 95.6 m95 -111.94 122.95 49.17 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 107.98 -1.118 . . . . 0.0 107.98 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 44.8 m0 -113.71 157.16 22.55 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.548 1.155 . . . . 0.0 107.957 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' TRP . . . . . 0.406 ' CE3' ' CD2' ' A' ' 53' ' ' TYR . 68.2 t-105 -106.36 116.57 32.15 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 107.99 -1.115 . . . . 0.0 107.99 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -113.85 -176.49 19.2 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.468 1.105 . . . . 0.0 110.986 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . 0.417 ' CB ' HD21 ' A' ' 35' ' ' LEU . 31.1 tt0 -147.97 120.88 8.74 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.52 0.776 . . . . 0.0 110.306 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . 0.708 ' CG ' HD13 ' A' ' 24' ' ' LEU . 0.0 OUTLIER -95.72 -175.18 3.36 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.555 1.159 . . . . 0.0 110.291 -179.973 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -58.26 103.09 0.13 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.466 1.103 . . . . 0.0 109.297 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 62.13 8.83 19.2 Favored Glycine 0 CA--C 1.529 0.945 0 O-C-N 124.486 1.117 . . . . 0.0 110.995 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 1.2 m -114.76 157.25 23.47 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 108.284 -1.006 . . . . 0.0 108.284 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 17.6 p -148.25 110.63 4.66 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.445 1.091 . . . . 0.0 108.268 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -148.95 -176.9 22.66 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.501 1.125 . . . . 0.0 111.032 179.93 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' TYR . . . . . 0.55 ' O ' HG23 ' A' ' 54' ' ' ILE . 23.2 m-85 -90.67 171.8 9.11 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.51 0.77 . . . . 0.0 110.92 -179.944 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . 0.55 HG23 ' O ' ' A' ' 53' ' ' TYR . 3.1 pt -156.28 149.4 18.52 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.507 1.13 . . . . 0.0 109.348 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 168.91 23.78 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.479 1.779 . . . . 0.0 111.002 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -112.77 85.49 2.18 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.506 1.129 . . . . 0.0 109.305 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER 167.41 -35.93 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.524 1.14 . . . . 0.0 109.333 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 5.0 m80 -70.63 -16.67 62.85 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.523 1.139 . . . . 0.0 109.566 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 9.3 m . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.526 1.141 . . . . 0.0 109.247 -179.958 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.039 0 N-CA-C 110.991 -0.844 . . . . 0.0 110.991 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 15.6 p -140.31 94.62 2.76 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.509 0.77 . . . . 0.0 109.987 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 26.9 p -100.87 142.52 32.22 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.462 1.101 . . . . 0.0 109.976 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -80.11 150.39 32.09 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.451 1.095 . . . . 0.0 110.985 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.0 m -129.11 85.86 2.37 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.505 0.767 . . . . 0.0 109.989 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 67.5 m 64.18 108.99 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.525 1.141 . . . . 0.0 110.004 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.467 ' HA3' ' CD1' ' A' ' 33' ' ' LEU . . . -162.35 170.54 37.98 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.479 1.112 . . . . 0.0 110.998 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -117.59 116.93 28.07 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.477 0.751 . . . . 0.0 110.354 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -83.54 124.14 30.45 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.492 1.12 . . . . 0.0 110.283 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 8.9 m-85 -133.9 167.86 19.82 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.446 1.091 . . . . 0.0 110.984 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.627 HG13 ' HA2' ' A' ' 29' ' ' GLY . 2.5 t -123.51 138.13 54.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.465 1.103 . . . . 0.0 109.317 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . 0.443 ' HB2' ' CD1' ' A' ' 26' ' ' PHE . . . -72.44 118.89 15.9 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.452 1.095 . . . . 0.0 109.346 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 3.5 pt -70.92 -7.31 8.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.489 1.118 . . . . 0.0 109.275 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -173.69 141.22 0.83 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.491 1.119 . . . . 0.0 109.279 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 8.9 p-10 -57.34 135.22 56.5 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.444 1.09 . . . . 0.0 109.287 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . 0.444 ' OH ' ' NE2' ' A' ' 23' ' ' GLN . 44.9 t80 -125.65 161.03 28.17 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.494 1.121 . . . . 0.0 110.954 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -134.44 111.99 10.58 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.463 1.102 . . . . 0.0 109.283 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.718 ' HB1' ' HB2' ' A' ' 23' ' ' GLN . . . -52.95 127.01 22.29 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.519 1.137 . . . . 0.0 109.309 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -86.58 -22.1 26.46 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.466 1.104 . . . . 0.0 110.419 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -119.54 175.58 5.78 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.486 1.116 . . . . 0.0 109.311 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -90.76 18.01 7.0 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.476 1.11 . . . . 0.0 110.268 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 73.2 p -125.01 14.34 8.47 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.474 1.109 . . . . 0.0 110.399 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . 0.718 ' HB2' ' HB1' ' A' ' 18' ' ' ALA . 75.1 mt-30 -119.29 160.48 22.14 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.446 1.091 . . . . 0.0 110.352 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.546 HD22 ' HG3' ' A' ' 47' ' ' ARG . 30.8 mt -106.98 139.42 41.41 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.517 1.136 . . . . 0.0 109.321 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . 0.404 ' O ' ' NH1' ' A' ' 47' ' ' ARG . 5.3 m -110.27 129.56 55.71 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.492 1.12 . . . . 0.0 109.995 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . 0.657 ' CB ' HD11 ' A' ' 32' ' ' ILE . 3.1 p90 -141.0 175.57 9.51 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.524 1.14 . . . . 0.0 111.018 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.576 HD12 ' N ' ' A' ' 28' ' ' ARG . 0.1 OUTLIER -117.66 143.1 46.49 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.507 1.13 . . . . 0.0 109.346 179.938 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . 0.576 ' N ' HD12 ' A' ' 27' ' ' LEU . 8.1 ttt180 -41.15 122.32 1.78 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.475 1.11 . . . . 0.0 110.312 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . 0.627 ' HA2' HG13 ' A' ' 11' ' ' VAL . . . 105.79 -31.5 8.36 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.45 1.094 . . . . 0.0 110.989 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 7.7 mt-10 -47.52 133.32 13.16 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.506 0.768 . . . . 0.0 110.307 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 14.7 mmtp -77.16 99.11 5.29 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.492 1.12 . . . . 0.0 109.287 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.657 HD11 ' CB ' ' A' ' 26' ' ' PHE . 5.1 mm -92.42 133.84 32.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.483 1.114 . . . . 0.0 109.329 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.467 ' CD1' ' HA3' ' A' ' 7' ' ' GLY . 0.1 OUTLIER -95.68 117.9 31.36 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.459 1.099 . . . . 0.0 109.331 179.984 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.62 ' CD1' HD11 ' A' ' 54' ' ' ILE . 37.0 mm -92.19 77.58 1.26 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.499 1.124 . . . . 0.0 109.347 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.636 HD22 ' HB2' ' A' ' 46' ' ' GLU . 7.8 mp -46.02 -67.54 0.27 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.471 1.107 . . . . 0.0 109.333 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -129.52 156.37 44.27 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.529 1.143 . . . . 0.0 110.313 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . 0.42 ' O ' ' N ' ' A' ' 39' ' ' THR . 68.5 mt-30 -95.19 -52.91 3.99 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.439 1.087 . . . . 0.0 110.309 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 53.5 m 67.53 -67.67 0.17 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.443 1.089 . . . . 0.0 110.404 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . 0.42 ' N ' ' O ' ' A' ' 37' ' ' GLN . 1.1 p -120.23 162.38 19.48 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.531 1.144 . . . . 0.0 110.401 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -88.45 7.39 33.03 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.424 1.078 . . . . 0.0 109.331 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -121.95 -42.28 2.4 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.492 1.12 . . . . 0.0 109.312 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 78.0 m95 -115.95 127.95 55.37 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.542 1.151 . . . . 0.0 107.999 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 45.3 m0 -113.71 157.6 21.99 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.534 1.146 . . . . 0.0 107.993 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' TRP . . . . . 0.485 ' CE3' ' CE2' ' A' ' 53' ' ' TYR . 41.5 t-105 -104.79 108.75 20.4 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.52 1.138 . . . . 0.0 108.021 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -105.02 174.72 21.68 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.512 1.133 . . . . 0.0 110.979 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.636 ' HB2' HD22 ' A' ' 35' ' ' LEU . 30.6 tt0 -142.6 120.56 12.05 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.488 0.757 . . . . 0.0 110.266 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . 0.546 ' HG3' HD22 ' A' ' 24' ' ' LEU . 5.8 mmm-85 -91.62 -173.06 3.43 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.479 1.112 . . . . 0.0 110.282 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -63.7 103.4 0.55 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 0.0 109.337 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 62.49 9.37 24.27 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.498 1.124 . . . . 0.0 111.002 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 1.2 m -114.45 162.97 15.98 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 108.296 -1.001 . . . . 0.0 108.296 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 11.8 p -148.55 112.87 5.27 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.522 1.139 . . . . 0.0 108.291 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -148.08 -178.7 23.47 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.477 1.11 . . . . 0.0 110.972 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' TYR . . . . . 0.485 ' CE2' ' CE3' ' A' ' 44' ' ' TRP . 4.2 m-85 -98.15 149.22 22.76 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.502 0.766 . . . . 0.0 111.012 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . 0.62 HD11 ' CD1' ' A' ' 34' ' ' ILE . 4.7 pt -131.6 150.05 75.22 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.529 1.143 . . . . 0.0 109.27 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.09 169.21 23.08 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.475 1.776 . . . . 0.0 111.012 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -113.33 85.63 2.23 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.535 1.147 . . . . 0.0 109.257 -179.925 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER 172.57 -39.23 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.503 1.127 . . . . 0.0 109.321 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 7.0 m80 -69.86 -25.58 63.79 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.543 1.152 . . . . 0.0 109.6 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 15.8 m -113.05 149.77 15.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.458 1.099 . . . . 0.0 109.286 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 173.77 -155.59 22.25 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.469 1.106 . . . . 0.0 111.006 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 58.83 -179.56 0.08 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.514 0.773 . . . . 0.0 109.313 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 33.9 m80 -141.81 165.99 25.96 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.538 1.149 . . . . 0.0 109.561 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 40.1 t -97.18 147.65 23.87 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.501 1.125 . . . . 0.0 110.023 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 178.2 -145.52 6.99 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.528 1.142 . . . . 0.0 111.017 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 153.95 42.21 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.515 1.798 . . . . 0.0 111.033 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 83.7 p 50.71 87.28 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.512 1.132 . . . . 0.0 110.033 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 2.1 p -112.56 -0.41 15.2 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.484 1.115 . . . . 0.0 110.007 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.022 0 O-C-N 124.468 1.105 . . . . 0.0 110.969 -179.997 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.988 0 N-CA-C 111.013 -0.835 . . . . 0.0 111.013 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 9.7 m 60.13 153.55 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.475 0.75 . . . . 0.0 110.011 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 58.37 166.18 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.457 1.098 . . . . 0.0 110.002 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 122.52 -98.05 0.61 Allowed Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.44 1.088 . . . . 0.0 111.022 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 16.0 m -122.01 120.36 34.15 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.523 0.778 . . . . 0.0 110.039 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -144.42 -50.81 0.29 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.459 1.099 . . . . 0.0 110.025 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.471 ' HA3' ' CD1' ' A' ' 33' ' ' LEU . . . 77.57 167.44 29.08 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.49 1.119 . . . . 0.0 110.983 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -114.52 111.94 22.17 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.52 0.776 . . . . 0.0 110.299 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . 0.472 ' HG2' HD22 ' A' ' 33' ' ' LEU . 0.0 OUTLIER -76.75 128.09 33.99 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.472 1.107 . . . . 0.0 110.328 -179.998 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 7.0 m-85 -137.64 164.18 29.43 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.529 1.143 . . . . 0.0 110.938 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.432 HG22 ' O ' ' A' ' 29' ' ' GLY . 2.2 t -123.08 139.97 48.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.487 1.117 . . . . 0.0 109.291 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -71.68 118.37 14.44 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.448 1.093 . . . . 0.0 109.31 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 2.9 pt -67.25 -19.96 26.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.482 1.114 . . . . 0.0 109.231 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -162.12 146.02 12.16 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.479 1.112 . . . . 0.0 109.328 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 2.5 p-10 -55.88 140.54 42.31 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.51 1.131 . . . . 0.0 109.283 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 33.9 t80 -132.13 159.67 38.26 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.537 1.148 . . . . 0.0 110.979 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -136.77 115.34 11.96 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.505 1.128 . . . . 0.0 109.296 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -52.94 130.52 33.78 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.52 1.138 . . . . 0.0 109.311 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -93.17 -17.89 23.2 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.511 1.132 . . . . 0.0 110.376 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 90.2 m-20 -127.85 174.95 8.71 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.492 1.12 . . . . 0.0 109.33 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 30.9 tt0 -85.75 12.0 9.88 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.434 1.084 . . . . 0.0 110.252 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 68.3 p -124.17 46.44 2.27 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.525 1.141 . . . . 0.0 110.397 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 51.7 mt-30 -155.56 157.44 36.84 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.44 1.087 . . . . 0.0 110.301 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.546 HD13 ' CG ' ' A' ' 47' ' ' ARG . 81.6 mt -103.9 146.11 29.14 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.546 1.154 . . . . 0.0 109.323 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 12.5 p -114.52 131.37 56.67 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 0.0 109.966 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . 0.555 ' CB ' HD11 ' A' ' 32' ' ' ILE . 2.2 p90 -141.29 -179.0 5.87 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.479 1.112 . . . . 0.0 111.021 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.593 HD12 ' N ' ' A' ' 28' ' ' ARG . 0.1 OUTLIER -126.64 144.94 50.75 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.482 1.114 . . . . 0.0 109.306 179.949 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . 0.593 ' N ' HD12 ' A' ' 27' ' ' LEU . 8.6 ttt180 -39.39 123.57 1.46 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.481 1.113 . . . . 0.0 110.263 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . 0.432 ' O ' HG22 ' A' ' 11' ' ' VAL . . . 104.31 -32.66 7.29 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.487 1.117 . . . . 0.0 111.035 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 4.9 mt-10 -46.17 131.55 10.16 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.509 0.77 . . . . 0.0 110.304 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 11.4 mmtp -76.78 102.96 6.48 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.501 1.126 . . . . 0.0 109.308 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.555 HD11 ' CB ' ' A' ' 26' ' ' PHE . 5.0 mm -97.9 137.46 25.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.472 1.107 . . . . 0.0 109.357 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.472 HD22 ' HG2' ' A' ' 9' ' ' GLU . 0.2 OUTLIER -99.89 133.64 43.96 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.457 1.098 . . . . 0.0 109.232 -179.934 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.593 ' CD1' HD11 ' A' ' 54' ' ' ILE . 14.3 mm -106.28 79.75 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.487 1.117 . . . . 0.0 109.314 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.461 ' CD2' ' HB2' ' A' ' 46' ' ' GLU . 5.8 mp -48.13 -67.13 0.3 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.466 1.104 . . . . 0.0 109.274 -179.946 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -135.47 172.22 13.33 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.493 1.12 . . . . 0.0 110.274 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . 0.438 ' O ' ' N ' ' A' ' 39' ' ' THR . 73.4 mt-30 -99.76 -38.18 8.79 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.531 1.144 . . . . 0.0 110.296 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . 0.597 HG21 ' OH ' ' A' ' 53' ' ' TYR . 2.7 m 68.97 -62.17 0.4 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.508 1.13 . . . . 0.0 110.403 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . 0.438 ' N ' ' O ' ' A' ' 37' ' ' GLN . 1.3 p -122.58 -93.19 0.52 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.514 1.134 . . . . 0.0 110.361 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.436 ' O ' ' NE1' ' A' ' 43' ' ' TRP . . . -169.99 -55.57 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.482 1.113 . . . . 0.0 109.315 -179.939 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -73.75 -34.54 64.78 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.531 1.144 . . . . 0.0 109.31 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 93.6 m95 -108.65 127.01 53.59 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.551 1.157 . . . . 0.0 107.996 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' TRP . . . . . 0.436 ' NE1' ' O ' ' A' ' 40' ' ' ALA . 45.3 m0 -114.82 152.66 31.8 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 107.97 -1.122 . . . . 0.0 107.97 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' TRP . . . . . 0.517 ' CE3' ' CE2' ' A' ' 53' ' ' TYR . 64.6 t-105 -100.23 104.91 16.44 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.504 1.128 . . . . 0.0 107.988 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -100.75 -172.67 29.2 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.526 1.141 . . . . 0.0 110.987 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.461 ' HB2' ' CD2' ' A' ' 35' ' ' LEU . 19.1 tt0 -153.81 120.56 5.6 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.516 0.774 . . . . 0.0 110.312 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . 0.546 ' CG ' HD13 ' A' ' 24' ' ' LEU . 2.5 mmm180 -92.24 -175.93 4.2 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.461 1.1 . . . . 0.0 110.307 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -59.42 103.59 0.2 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.481 1.113 . . . . 0.0 109.262 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 62.91 8.31 21.47 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.494 1.122 . . . . 0.0 110.947 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' CYS . . . . . 0.405 ' C ' ' HG ' ' A' ' 51' ' ' CYS . 0.8 OUTLIER -114.79 161.53 18.07 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 108.259 -1.015 . . . . 0.0 108.259 -179.982 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' CYS . . . . . 0.405 ' HG ' ' C ' ' A' ' 50' ' ' CYS . 11.5 m -148.74 112.81 5.19 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.526 1.141 . . . . 0.0 108.259 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -148.33 -176.92 22.2 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.483 1.115 . . . . 0.0 111.017 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' TYR . . . . . 0.597 ' OH ' HG21 ' A' ' 38' ' ' THR . 2.4 m-85 -95.19 150.97 19.63 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.573 0.808 . . . . 0.0 110.944 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . 0.593 HD11 ' CD1' ' A' ' 34' ' ' ILE . 3.8 pt -133.34 151.94 78.45 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.496 1.122 . . . . 0.0 109.307 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 170.63 19.98 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.514 1.797 . . . . 0.0 110.971 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -114.56 86.69 2.48 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.513 1.133 . . . . 0.0 109.291 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER 164.72 -41.18 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.438 1.086 . . . . 0.0 109.316 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 24.0 m-70 -65.02 -27.57 68.9 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.471 1.107 . . . . 0.0 109.629 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 16.1 m -102.67 151.43 6.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.512 1.132 . . . . 0.0 109.297 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 165.21 136.99 2.1 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.476 1.11 . . . . 0.0 110.958 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -42.77 144.39 0.58 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.502 0.766 . . . . 0.0 109.348 179.941 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 6.3 t-80 -162.32 139.69 8.3 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.517 1.136 . . . . 0.0 109.601 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 4.6 t -76.22 137.48 40.02 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.515 1.134 . . . . 0.0 109.944 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -161.73 161.28 33.12 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.481 1.113 . . . . 0.0 111.018 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 -58.08 0.05 OUTLIER 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.488 1.783 . . . . 0.0 111.001 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 2.0 m 64.5 155.63 0.07 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.464 1.102 . . . . 0.0 110.0 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 64.54 137.36 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.51 1.131 . . . . 0.0 110.035 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.028 0 O-C-N 124.488 1.117 . . . . 0.0 110.996 179.972 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.054 0 N-CA-C 110.951 -0.86 . . . . 0.0 110.951 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 53.3 p -91.26 151.64 20.83 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.531 0.783 . . . . 0.0 109.978 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 9.4 t -98.0 121.51 40.0 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.514 1.134 . . . . 0.0 109.994 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 110.1 110.69 3.3 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.496 1.123 . . . . 0.0 110.97 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.9 t -112.92 145.5 40.64 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.538 0.787 . . . . 0.0 110.008 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.3 t -158.36 102.74 1.76 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.475 1.109 . . . . 0.0 110.001 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.462 ' HA3' ' CD1' ' A' ' 33' ' ' LEU . . . 169.42 165.49 26.88 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.453 1.095 . . . . 0.0 110.996 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -120.25 122.23 40.44 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.486 0.757 . . . . 0.0 110.282 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . 0.446 ' HG2' HD22 ' A' ' 33' ' ' LEU . 2.0 mt-10 -83.35 122.6 28.69 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.534 1.146 . . . . 0.0 110.275 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 9.5 m-85 -131.93 167.5 19.51 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.507 1.129 . . . . 0.0 111.021 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.625 HG13 ' HA2' ' A' ' 29' ' ' GLY . 2.4 t -124.35 138.27 54.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.525 1.141 . . . . 0.0 109.302 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -72.53 118.82 15.92 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.438 1.086 . . . . 0.0 109.335 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 2.7 pt -70.19 -14.91 18.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.442 1.089 . . . . 0.0 109.304 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -165.29 139.37 4.8 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.488 1.118 . . . . 0.0 109.319 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 3.2 p-10 -55.4 140.71 39.0 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.488 1.118 . . . . 0.0 109.314 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 22.6 t80 -132.41 157.62 44.07 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.471 1.107 . . . . 0.0 111.013 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -132.15 114.03 14.01 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.542 1.151 . . . . 0.0 109.285 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.568 ' HB1' ' HB2' ' A' ' 23' ' ' GLN . . . -53.03 119.77 5.08 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.557 1.161 . . . . 0.0 109.33 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 43.6 p -80.7 -15.71 55.81 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.491 1.119 . . . . 0.0 110.393 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -128.58 178.68 6.14 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.522 1.139 . . . . 0.0 109.288 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 19.8 pt-20 -94.22 17.39 12.79 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.547 1.154 . . . . 0.0 110.314 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 60.5 p -125.08 27.1 6.78 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.124 . . . . 0.0 110.368 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . 0.568 ' HB2' ' HB1' ' A' ' 18' ' ' ALA . 85.7 mt-30 -134.46 169.2 17.61 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.522 1.139 . . . . 0.0 110.275 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.776 HD13 ' HG2' ' A' ' 47' ' ' ARG . 25.0 mt -112.87 139.33 48.6 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.487 1.117 . . . . 0.0 109.329 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 13.5 m -110.28 130.33 55.57 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.469 1.105 . . . . 0.0 109.995 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . 0.655 ' CB ' HD11 ' A' ' 32' ' ' ILE . 3.3 p90 -141.13 173.65 11.28 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.522 1.139 . . . . 0.0 111.017 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.603 HD12 ' N ' ' A' ' 28' ' ' ARG . 0.1 OUTLIER -117.51 142.13 47.53 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.532 1.145 . . . . 0.0 109.273 -179.95 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . 0.603 ' N ' HD12 ' A' ' 27' ' ' LEU . 6.4 ttt-85 -38.88 123.15 1.25 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.505 1.128 . . . . 0.0 110.285 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . 0.625 ' HA2' HG13 ' A' ' 11' ' ' VAL . . . 103.72 -33.4 6.61 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.525 1.141 . . . . 0.0 111.0 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 5.3 mt-10 -43.88 132.48 5.24 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.445 0.732 . . . . 0.0 110.336 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 4.4 mptt -77.02 99.94 5.47 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.539 1.149 . . . . 0.0 109.289 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.655 HD11 ' CB ' ' A' ' 26' ' ' PHE . 5.7 mm -94.03 134.76 30.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.492 1.12 . . . . 0.0 109.345 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.462 ' CD1' ' HA3' ' A' ' 7' ' ' GLY . 0.1 OUTLIER -97.41 117.92 32.72 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.522 1.139 . . . . 0.0 109.277 -179.971 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.573 ' CD1' HD11 ' A' ' 54' ' ' ILE . 22.7 mm -91.9 78.49 1.39 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.454 1.096 . . . . 0.0 109.277 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.49 HD13 ' CB ' ' A' ' 46' ' ' GLU . 6.9 mp -45.71 -68.32 0.21 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.503 1.127 . . . . 0.0 109.31 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 5.0 mtt180 -130.04 158.77 38.69 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.47 1.106 . . . . 0.0 110.329 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . 0.44 ' O ' ' N ' ' A' ' 39' ' ' THR . 4.2 mt-30 -92.6 -50.47 5.58 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.518 1.136 . . . . 0.0 110.268 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 28.6 m 67.78 -66.72 0.2 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.517 1.135 . . . . 0.0 110.364 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . 0.44 ' N ' ' O ' ' A' ' 37' ' ' GLN . 2.2 p -127.24 162.73 25.51 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.454 1.096 . . . . 0.0 110.385 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -88.32 10.44 19.77 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.496 1.123 . . . . 0.0 109.309 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -121.53 -42.07 2.46 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.531 1.145 . . . . 0.0 109.325 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 87.0 m95 -121.25 132.55 54.88 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.514 1.134 . . . . 0.0 107.98 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' TRP . . . . . 0.411 ' CD1' ' HB2' ' A' ' 56' ' ' ALA . 45.6 m0 -113.95 160.55 18.7 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 107.977 -1.12 . . . . 0.0 107.977 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 41.9 t-105 -107.7 109.21 20.75 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.509 1.13 . . . . 0.0 108.037 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -107.54 169.71 14.9 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.472 1.108 . . . . 0.0 111.03 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.49 ' CB ' HD13 ' A' ' 35' ' ' LEU . 27.3 tt0 -135.85 120.65 18.49 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.475 0.75 . . . . 0.0 110.322 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . 0.776 ' HG2' HD13 ' A' ' 24' ' ' LEU . 7.3 mmm180 -90.99 -172.92 3.5 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.529 1.143 . . . . 0.0 110.292 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -63.39 103.52 0.52 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.479 1.112 . . . . 0.0 109.316 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 62.41 9.16 22.71 Favored Glycine 0 CA--C 1.529 0.949 0 O-C-N 124.502 1.126 . . . . 0.0 111.042 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -114.54 163.03 15.95 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 108.281 -1.007 . . . . 0.0 108.281 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 15.8 p -148.51 111.6 4.89 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.507 1.129 . . . . 0.0 108.255 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -148.57 -176.97 22.43 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.467 1.104 . . . . 0.0 111.038 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 5.2 m-85 -95.11 162.83 13.55 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.503 0.767 . . . . 0.0 110.984 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . 0.573 HD11 ' CD1' ' A' ' 34' ' ' ILE . 4.4 pt -146.76 150.34 39.24 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.522 1.139 . . . . 0.0 109.32 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . 0.402 ' HD3' ' HA ' ' A' ' 54' ' ' ILE . 18.1 Cg_endo -75.02 155.69 42.83 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.523 1.802 . . . . 0.0 110.979 -179.95 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . 0.411 ' HB2' ' CD1' ' A' ' 43' ' ' TRP . . . -100.77 80.14 2.14 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.499 1.124 . . . . 0.0 109.272 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 50.6 t-20 177.38 -41.53 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.57 1.169 . . . . 0.0 109.289 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 4.7 m-70 -65.43 -27.38 68.48 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.554 1.159 . . . . 0.0 109.604 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 17.9 m -109.7 156.78 10.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.472 1.108 . . . . 0.0 109.3 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 144.27 175.41 17.38 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.527 1.142 . . . . 0.0 110.979 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -104.19 -52.94 2.83 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.524 0.779 . . . . 0.0 109.349 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 88.1 m-70 -68.68 160.64 29.86 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.429 1.081 . . . . 0.0 109.59 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 48.5 t -169.2 -57.05 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.447 1.092 . . . . 0.0 110.031 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 126.68 175.12 14.02 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.516 1.135 . . . . 0.0 110.991 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 165.42 31.33 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.514 1.797 . . . . 0.0 110.998 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 70.1 m -92.46 125.67 37.21 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.473 1.108 . . . . 0.0 109.962 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -131.7 -58.54 0.97 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.12 . . . . 0.0 109.982 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.939 0 O-C-N 124.493 1.121 . . . . 0.0 111.033 179.992 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.974 0 N-CA-C 111.028 -0.829 . . . . 0.0 111.028 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 38.5 t -173.54 94.82 0.1 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.456 0.739 . . . . 0.0 110.006 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 77.2 p -94.81 149.33 21.36 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 0.0 109.991 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 160.74 172.47 28.08 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.515 1.134 . . . . 0.0 111.033 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 65.73 158.43 0.11 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.545 0.791 . . . . 0.0 110.014 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 39.7 t -164.95 95.98 0.71 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.463 1.102 . . . . 0.0 110.008 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.473 ' HA3' ' CD1' ' A' ' 33' ' ' LEU . . . -109.94 162.0 12.8 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.515 1.134 . . . . 0.0 111.007 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -111.6 106.71 15.63 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.504 0.767 . . . . 0.0 110.264 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . 0.513 ' HG3' HD22 ' A' ' 33' ' ' LEU . 0.2 OUTLIER -74.51 130.47 39.66 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.489 1.118 . . . . 0.0 110.322 179.994 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 7.3 m-85 -138.85 166.47 24.36 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.456 1.098 . . . . 0.0 111.012 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.521 HG22 ' O ' ' A' ' 29' ' ' GLY . 2.2 t -124.07 140.64 46.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.493 1.121 . . . . 0.0 109.323 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . 0.4 ' O ' ' HA ' ' A' ' 28' ' ' ARG . . . -71.8 118.09 14.21 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.478 1.111 . . . . 0.0 109.317 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 2.3 pt -68.45 -13.72 17.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.482 1.114 . . . . 0.0 109.303 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -164.38 155.99 15.94 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.538 1.149 . . . . 0.0 109.332 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 1.6 p-10 -58.37 148.76 26.71 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.521 1.138 . . . . 0.0 109.333 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . 0.441 ' OH ' ' NE2' ' A' ' 23' ' ' GLN . 48.8 t80 -133.9 158.35 43.67 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.53 1.144 . . . . 0.0 110.994 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -144.09 104.09 4.09 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.48 1.113 . . . . 0.0 109.356 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -53.88 131.98 40.98 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.535 1.147 . . . . 0.0 109.32 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -95.58 -8.31 35.37 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.455 1.097 . . . . 0.0 110.403 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 17.2 m-20 -133.72 173.06 11.93 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.514 1.134 . . . . 0.0 109.295 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 7.2 pt-20 -93.24 17.92 10.36 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.468 1.105 . . . . 0.0 110.327 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 80.5 p -121.43 13.72 11.05 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.516 1.135 . . . . 0.0 110.4 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . 0.441 ' NE2' ' OH ' ' A' ' 16' ' ' TYR . 65.9 mt-30 -121.7 173.42 7.46 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.5 1.125 . . . . 0.0 110.264 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.566 HD13 ' CG ' ' A' ' 47' ' ' ARG . 17.2 mt -114.13 140.54 48.43 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.454 1.096 . . . . 0.0 109.272 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 16.3 p -109.83 130.69 55.49 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.488 1.117 . . . . 0.0 110.001 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . 0.57 ' CB ' HD11 ' A' ' 32' ' ' ILE . 2.6 p90 -142.92 178.5 7.63 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.504 1.127 . . . . 0.0 110.97 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.652 HD12 ' N ' ' A' ' 28' ' ' ARG . 0.1 OUTLIER -125.67 145.79 50.01 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.555 1.159 . . . . 0.0 109.295 179.997 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . 0.652 ' N ' HD12 ' A' ' 27' ' ' LEU . 12.0 ttt-85 -43.91 112.15 0.37 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.466 1.104 . . . . 0.0 110.319 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . 0.521 ' O ' HG22 ' A' ' 11' ' ' VAL . . . 117.97 -32.75 5.18 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.507 1.129 . . . . 0.0 111.005 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -49.46 136.19 16.74 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.497 0.763 . . . . 0.0 110.312 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -79.74 102.44 9.02 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.511 1.132 . . . . 0.0 109.328 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.57 HD11 ' CB ' ' A' ' 26' ' ' PHE . 4.5 mm -95.74 124.74 48.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.497 1.123 . . . . 0.0 109.3 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.513 HD22 ' HG3' ' A' ' 9' ' ' GLU . 0.1 OUTLIER -87.99 117.86 27.14 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.489 1.118 . . . . 0.0 109.287 -179.974 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.556 ' CD1' HD11 ' A' ' 54' ' ' ILE . 19.1 mm -92.51 78.91 1.37 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.5 1.125 . . . . 0.0 109.292 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.574 HD22 ' HB2' ' A' ' 46' ' ' GLU . 7.3 mp -46.39 -67.79 0.25 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.558 1.161 . . . . 0.0 109.249 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 2.1 mtt-85 -135.41 173.0 12.2 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.508 1.13 . . . . 0.0 110.307 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . 0.508 ' HG2' ' CG ' ' A' ' 43' ' ' TRP . 7.7 mt-30 -133.87 73.02 1.48 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.451 1.094 . . . . 0.0 110.307 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 81.9 m -38.33 -32.9 0.08 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.511 1.132 . . . . 0.0 110.409 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . 0.402 ' N ' ' O ' ' A' ' 37' ' ' GLN . 2.2 p -147.12 178.68 8.19 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.513 1.133 . . . . 0.0 110.395 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -91.43 6.82 43.97 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.487 1.117 . . . . 0.0 109.281 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -121.16 -41.99 2.5 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.541 1.151 . . . . 0.0 109.3 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 82.1 m95 -113.12 126.15 55.14 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.476 1.11 . . . . 0.0 108.006 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' TRP . . . . . 0.508 ' CG ' ' HG2' ' A' ' 37' ' ' GLN . 47.5 m0 -113.75 153.52 28.88 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.546 1.154 . . . . 0.0 107.994 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 44.3 t-105 -101.86 105.03 15.8 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 107.988 -1.116 . . . . 0.0 107.988 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -100.62 175.56 26.76 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.518 1.137 . . . . 0.0 111.022 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.574 ' HB2' HD22 ' A' ' 35' ' ' LEU . 22.6 tt0 -144.64 120.64 10.7 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.543 0.79 . . . . 0.0 110.29 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . 0.566 ' CG ' HD13 ' A' ' 24' ' ' LEU . 1.3 mmm180 -90.97 -172.88 3.49 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.522 1.139 . . . . 0.0 110.356 179.95 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -63.44 103.82 0.56 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.468 1.105 . . . . 0.0 109.284 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 62.59 9.52 25.77 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.55 1.156 . . . . 0.0 111.038 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 1.3 m -114.26 163.35 15.38 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 108.29 -1.004 . . . . 0.0 108.29 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 15.8 p -148.5 112.57 5.19 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.487 1.117 . . . . 0.0 108.323 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -148.32 -177.08 22.32 Favored Glycine 0 CA--C 1.529 0.936 0 O-C-N 124.502 1.126 . . . . 0.0 111.014 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 2.3 m-85 -98.93 159.23 15.1 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.445 0.732 . . . . 0.0 111.022 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . 0.556 HD11 ' CD1' ' A' ' 34' ' ' ILE . 4.5 pt -143.74 150.71 51.23 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.529 1.143 . . . . 0.0 109.297 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . 0.402 ' HD3' ' HA ' ' A' ' 54' ' ' ILE . 18.2 Cg_endo -75.0 172.65 15.95 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.499 1.789 . . . . 0.0 111.022 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -117.91 87.93 2.81 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.572 1.17 . . . . 0.0 109.31 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 2.3 t30 169.6 -36.05 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.479 1.112 . . . . 0.0 109.285 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 2.9 m-70 -73.49 -24.41 60.18 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.477 1.11 . . . . 0.0 109.631 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 9.4 m -113.42 150.74 15.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.549 1.155 . . . . 0.0 109.334 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 157.32 135.5 1.93 Allowed Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.519 1.137 . . . . 0.0 110.968 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.29 117.88 5.73 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.504 0.767 . . . . 0.0 109.278 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 1.4 t60 -93.77 61.1 3.04 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.471 1.107 . . . . 0.0 109.591 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 22.6 t 45.1 79.63 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.502 1.126 . . . . 0.0 109.989 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 67.24 122.55 0.02 OUTLIER Glycine 0 CA--C 1.529 0.948 0 O-C-N 124.519 1.137 . . . . 0.0 111.01 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 172.02 17.17 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.52 1.8 . . . . 0.0 111.018 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -66.42 -59.4 3.71 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.482 1.113 . . . . 0.0 110.0 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 1.5 m -115.87 117.63 30.73 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.438 1.086 . . . . 0.0 110.046 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.006 0 O-C-N 124.456 1.098 . . . . 0.0 110.985 179.998 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.015 0 N-CA-C 111.012 -0.835 . . . . 0.0 111.012 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 39.0 m -80.68 169.0 18.2 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.494 0.761 . . . . 0.0 110.024 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 9.9 p -158.4 120.25 3.57 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.485 1.115 . . . . 0.0 110.042 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 104.24 97.22 2.44 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.457 1.098 . . . . 0.0 110.99 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 64.4 m -119.99 94.71 4.48 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.513 0.772 . . . . 0.0 110.019 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 39.3 m -143.26 -73.48 0.28 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.471 1.107 . . . . 0.0 110.05 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.472 ' HA3' ' CD1' ' A' ' 33' ' ' LEU . . . 88.79 175.29 46.97 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.486 1.116 . . . . 0.0 110.949 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -122.39 123.69 41.93 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.506 0.768 . . . . 0.0 110.261 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . 0.514 ' HG3' HD22 ' A' ' 33' ' ' LEU . 0.1 OUTLIER -84.23 98.02 9.73 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.523 1.139 . . . . 0.0 110.297 179.973 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 9.7 m-85 -99.02 158.24 15.79 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.478 1.111 . . . . 0.0 110.988 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.589 HG13 ' HA2' ' A' ' 29' ' ' GLY . 2.3 t -115.11 135.83 53.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.519 1.137 . . . . 0.0 109.275 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . 0.41 ' O ' ' HA ' ' A' ' 28' ' ' ARG . . . -71.63 118.43 14.45 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.481 1.113 . . . . 0.0 109.263 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.438 ' N ' ' O ' ' A' ' 58' ' ' HIS . 3.1 pt -70.97 -15.15 18.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.509 1.131 . . . . 0.0 109.309 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -159.51 156.39 28.11 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.436 1.085 . . . . 0.0 109.323 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 2.8 p30 -71.83 141.76 49.63 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.515 1.134 . . . . 0.0 109.278 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 74.7 t80 -128.71 172.13 11.54 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.501 1.126 . . . . 0.0 110.948 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -140.43 144.15 35.98 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.5 1.125 . . . . 0.0 109.29 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -89.78 112.41 23.7 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.535 1.147 . . . . 0.0 109.334 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 14.9 p -112.64 5.95 18.04 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.512 1.132 . . . . 0.0 110.371 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -125.0 178.77 5.34 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.504 1.127 . . . . 0.0 109.287 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 10.7 tt0 -88.82 -17.11 30.4 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.536 1.147 . . . . 0.0 110.249 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 40.4 p -123.08 58.55 1.1 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.526 1.141 . . . . 0.0 110.407 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 82.5 mt-30 -144.62 156.01 43.91 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.537 1.148 . . . . 0.0 110.311 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.742 HD13 ' HG2' ' A' ' 47' ' ' ARG . 28.0 mt -117.62 143.72 45.87 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.559 1.162 . . . . 0.0 109.254 -179.95 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 13.1 p -112.59 132.03 55.33 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.463 1.102 . . . . 0.0 109.971 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . 0.508 ' CB ' HD11 ' A' ' 32' ' ' ILE . 3.5 p90 -144.16 176.8 9.05 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.504 1.128 . . . . 0.0 111.015 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.661 HD12 ' N ' ' A' ' 28' ' ' ARG . 0.1 OUTLIER -119.51 144.78 46.83 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.554 1.159 . . . . 0.0 109.308 179.965 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . 0.661 ' N ' HD12 ' A' ' 27' ' ' LEU . 5.7 ttt180 -43.23 110.83 0.21 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.519 1.137 . . . . 0.0 110.281 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . 0.589 ' HA2' HG13 ' A' ' 11' ' ' VAL . . . 119.66 -36.81 3.34 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.529 1.143 . . . . 0.0 110.993 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -42.24 132.33 3.4 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.556 0.798 . . . . 0.0 110.294 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 12.5 mmtp -77.1 100.85 5.86 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.493 1.121 . . . . 0.0 109.289 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.508 HD11 ' CB ' ' A' ' 26' ' ' PHE . 4.7 mm -94.18 133.93 33.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.481 1.113 . . . . 0.0 109.292 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.514 HD22 ' HG3' ' A' ' 9' ' ' GLU . 0.1 OUTLIER -96.45 125.27 40.83 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.484 1.115 . . . . 0.0 109.279 179.989 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.631 HD13 HD11 ' A' ' 54' ' ' ILE . 42.0 mm -101.94 92.53 2.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.501 1.126 . . . . 0.0 109.329 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.739 HD21 ' CB ' ' A' ' 46' ' ' GLU . 0.3 OUTLIER -65.3 -65.13 0.71 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.513 1.133 . . . . 0.0 109.282 -179.94 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 49.9 mtt85 -129.24 174.74 9.31 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.485 1.115 . . . . 0.0 110.275 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . 0.5 ' HG2' ' CG ' ' A' ' 43' ' ' TRP . 58.3 mt-30 -142.94 74.73 1.45 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.457 1.098 . . . . 0.0 110.309 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . 0.4 ' C ' ' O ' ' A' ' 37' ' ' GLN . 54.2 m -38.45 -43.71 0.86 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.447 1.092 . . . . 0.0 110.418 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 5.7 p -134.61 173.86 11.2 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.485 1.116 . . . . 0.0 110.366 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -86.48 8.22 22.77 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.518 1.136 . . . . 0.0 109.295 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -122.24 -42.31 2.37 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.529 1.143 . . . . 0.0 109.294 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 95.3 m95 -110.14 124.92 52.41 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.525 1.141 . . . . 0.0 108.017 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' TRP . . . . . 0.5 ' CG ' ' HG2' ' A' ' 37' ' ' GLN . 46.0 m0 -114.63 158.72 21.35 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.491 1.119 . . . . 0.0 108.021 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' TRP . . . . . 0.412 ' CE3' ' CD2' ' A' ' 53' ' ' TYR . 68.9 t-105 -108.25 119.85 40.69 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.552 1.158 . . . . 0.0 108.009 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . 0.458 ' HA2' HD22 ' A' ' 35' ' ' LEU . . . -117.71 -173.92 16.48 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.462 1.102 . . . . 0.0 111.024 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.739 ' CB ' HD21 ' A' ' 35' ' ' LEU . 28.4 tt0 -146.58 120.66 9.44 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.5 0.765 . . . . 0.0 110.254 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . 0.742 ' HG2' HD13 ' A' ' 24' ' ' LEU . 0.0 OUTLIER -91.68 -173.82 3.66 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.462 1.101 . . . . 0.0 110.281 179.98 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -61.77 103.32 0.33 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.474 1.109 . . . . 0.0 109.277 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 62.39 8.28 18.35 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.529 1.143 . . . . 0.0 111.0 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 1.3 m -115.06 163.44 15.61 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 108.283 -1.006 . . . . 0.0 108.283 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 12.7 p -148.59 111.77 4.92 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.513 1.133 . . . . 0.0 108.283 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -148.59 -177.07 22.53 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.502 1.126 . . . . 0.0 111.018 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' TYR . . . . . 0.579 ' O ' HG23 ' A' ' 54' ' ' ILE . 2.9 m-85 -91.17 173.97 7.65 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.488 0.758 . . . . 0.0 110.983 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . 0.631 HD11 HD13 ' A' ' 34' ' ' ILE . 3.1 pt -157.27 152.47 21.68 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.454 1.096 . . . . 0.0 109.285 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 158.21 42.31 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.524 1.802 . . . . 0.0 110.993 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -106.27 83.63 1.91 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.454 1.096 . . . . 0.0 109.309 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 168.75 -44.43 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.5 1.125 . . . . 0.0 109.331 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' HIS . . . . . 0.438 ' O ' ' N ' ' A' ' 13' ' ' ILE . 1.2 m80 -63.27 -16.96 61.89 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.525 1.141 . . . . 0.0 109.648 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 15.4 m -118.6 149.36 21.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.537 1.148 . . . . 0.0 109.282 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -179.07 -165.16 32.93 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.483 1.115 . . . . 0.0 110.987 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -43.32 161.69 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.417 0.716 . . . . 0.0 109.302 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 3.6 m80 -59.25 172.54 0.6 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.511 1.132 . . . . 0.0 109.572 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 30.9 p -118.16 143.07 46.8 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.522 1.139 . . . . 0.0 109.964 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -56.92 165.93 5.13 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.543 1.152 . . . . 0.0 110.979 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -51.16 0.12 Allowed 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.446 1.761 . . . . 0.0 110.971 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 9.3 t -135.83 94.15 3.03 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.457 1.098 . . . . 0.0 110.013 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 44.7 t -90.36 -59.0 2.3 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.543 1.152 . . . . 0.0 110.037 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.025 0 O-C-N 124.563 1.165 . . . . 0.0 111.049 -179.968 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.987 0 N-CA-C 111.006 -0.837 . . . . 0.0 111.006 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -95.69 119.69 34.64 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.532 0.784 . . . . 0.0 109.99 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 50.0 m -112.43 115.61 28.98 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.508 1.13 . . . . 0.0 109.992 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -153.49 156.08 26.54 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.498 1.124 . . . . 0.0 110.981 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.5 t -70.77 -65.43 0.74 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.469 0.747 . . . . 0.0 109.995 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -170.47 135.23 1.19 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.542 1.151 . . . . 0.0 109.968 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.452 ' HA3' ' CD1' ' A' ' 33' ' ' LEU . . . 120.86 156.73 9.91 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.484 1.115 . . . . 0.0 111.021 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -105.98 122.29 45.83 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.492 0.76 . . . . 0.0 110.294 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . 0.482 ' HG3' HD22 ' A' ' 33' ' ' LEU . 0.0 OUTLIER -86.46 123.3 31.53 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.466 1.104 . . . . 0.0 110.255 -179.985 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 10.3 m-85 -135.63 167.78 20.49 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.494 1.121 . . . . 0.0 111.044 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.527 HG13 ' CA ' ' A' ' 29' ' ' GLY . 2.5 t -125.46 141.33 45.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.502 1.126 . . . . 0.0 109.29 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . 0.576 ' HB2' ' CD1' ' A' ' 26' ' ' PHE . . . -72.75 117.99 15.13 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.532 1.145 . . . . 0.0 109.337 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.429 ' N ' ' O ' ' A' ' 58' ' ' HIS . 3.2 pt -66.59 -13.65 16.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.491 1.12 . . . . 0.0 109.331 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -166.09 153.14 9.75 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.124 . . . . 0.0 109.326 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 3.5 p-10 -64.99 144.76 57.08 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.468 1.105 . . . . 0.0 109.295 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . 0.485 ' CG ' ' N ' ' A' ' 17' ' ' ALA . 32.1 t80 -132.51 166.5 21.92 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.507 1.13 . . . . 0.0 111.001 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.485 ' N ' ' CG ' ' A' ' 16' ' ' TYR . . . -139.37 111.85 7.68 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.471 1.107 . . . . 0.0 109.314 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.432 ' HA ' ' CE2' ' A' ' 16' ' ' TYR . . . -54.89 123.83 14.72 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.517 1.136 . . . . 0.0 109.289 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -87.77 -8.75 55.56 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.515 1.134 . . . . 0.0 110.416 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -134.2 171.67 13.93 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.51 1.131 . . . . 0.0 109.33 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -90.43 18.03 6.65 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.498 1.124 . . . . 0.0 110.307 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 69.1 p -122.09 -1.25 9.31 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.546 1.153 . . . . 0.0 110.401 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . 0.405 ' NE2' ' OH ' ' A' ' 16' ' ' TYR . 60.4 mt-30 -105.9 162.1 13.87 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.461 1.101 . . . . 0.0 110.288 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.583 HD13 ' CG ' ' A' ' 47' ' ' ARG . 21.7 mt -104.04 146.85 28.12 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.494 1.122 . . . . 0.0 109.315 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 14.6 p -119.25 129.55 54.98 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.533 1.145 . . . . 0.0 109.965 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . 0.6 ' CB ' HD11 ' A' ' 32' ' ' ILE . 5.7 p90 -140.89 -179.24 5.95 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.511 1.132 . . . . 0.0 111.001 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.57 HD12 ' N ' ' A' ' 28' ' ' ARG . 0.1 OUTLIER -124.44 142.83 51.01 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.549 1.156 . . . . 0.0 109.333 179.966 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . 0.57 ' N ' HD12 ' A' ' 27' ' ' LEU . 1.5 ttt-85 -40.15 126.62 2.16 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.551 1.157 . . . . 0.0 110.339 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . 0.527 ' CA ' HG13 ' A' ' 11' ' ' VAL . . . 101.4 -24.99 29.75 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.498 1.124 . . . . 0.0 110.991 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 4.4 mt-10 -53.83 132.53 41.76 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.49 0.759 . . . . 0.0 110.305 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -77.24 97.82 4.94 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.49 1.119 . . . . 0.0 109.336 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.6 HD11 ' CB ' ' A' ' 26' ' ' PHE . 4.4 mm -92.34 138.42 19.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.482 1.114 . . . . 0.0 109.287 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.482 HD22 ' HG3' ' A' ' 9' ' ' GLU . 0.1 OUTLIER -100.93 117.96 36.02 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.448 1.093 . . . . 0.0 109.258 -179.954 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.724 ' CD1' HD11 ' A' ' 54' ' ' ILE . 31.0 mm -92.32 78.86 1.39 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.517 1.136 . . . . 0.0 109.309 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.451 ' CD1' ' HB3' ' A' ' 46' ' ' GLU . 7.8 mp -45.39 -67.83 0.25 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.456 1.098 . . . . 0.0 109.267 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 42.5 mtt180 -134.41 172.32 13.06 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.538 1.149 . . . . 0.0 110.294 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . 0.556 HE21 HG21 ' A' ' 34' ' ' ILE . 97.1 mt-30 -131.56 66.5 1.54 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.529 1.143 . . . . 0.0 110.29 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . 0.767 HG22 HG23 ' A' ' 39' ' ' THR . 1.8 m -38.28 -39.93 0.48 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.404 1.065 . . . . 0.0 110.432 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . 0.767 HG23 HG22 ' A' ' 38' ' ' THR . 69.8 p -135.89 177.98 7.4 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.499 1.125 . . . . 0.0 110.382 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -93.11 -3.59 53.82 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.547 1.154 . . . . 0.0 109.342 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 31.8 m-20 -114.28 -35.99 4.81 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.524 1.14 . . . . 0.0 109.287 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 83.6 m95 -113.11 125.82 54.78 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 107.999 -1.111 . . . . 0.0 107.999 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 44.3 m0 -113.9 148.67 36.37 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.501 1.126 . . . . 0.0 108.023 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 47.8 t-105 -99.91 105.38 17.09 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.512 1.133 . . . . 0.0 108.018 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -102.11 176.01 25.41 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.447 1.092 . . . . 0.0 110.99 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.451 ' HB3' ' CD1' ' A' ' 35' ' ' LEU . 28.3 tt0 -144.11 120.77 11.14 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.508 0.77 . . . . 0.0 110.287 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . 0.583 ' CG ' HD13 ' A' ' 24' ' ' LEU . 0.0 OUTLIER -90.91 -172.69 3.43 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.486 1.116 . . . . 0.0 110.312 179.971 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -63.74 103.44 0.56 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.539 1.149 . . . . 0.0 109.262 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 62.32 9.39 23.27 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.496 1.123 . . . . 0.0 110.991 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 1.3 m -114.59 163.17 15.78 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 108.304 -0.998 . . . . 0.0 108.304 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 8.2 p -148.5 112.86 5.28 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.473 1.108 . . . . 0.0 108.321 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -148.05 177.03 26.58 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.55 1.156 . . . . 0.0 110.967 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 2.7 m-85 -92.61 148.57 21.97 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.5 0.765 . . . . 0.0 110.97 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . 0.724 HD11 ' CD1' ' A' ' 34' ' ' ILE . 14.7 pt -131.48 152.29 80.22 Favored Pre-proline 0 C--N 1.324 -0.518 0 O-C-N 124.507 1.129 . . . . 0.0 109.289 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 168.44 24.83 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.455 1.766 . . . . 0.0 111.015 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -115.27 87.13 2.59 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.47 1.106 . . . . 0.0 109.298 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER 167.7 -35.84 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.455 1.097 . . . . 0.0 109.331 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' HIS . . . . . 0.429 ' O ' ' N ' ' A' ' 13' ' ' ILE . 12.3 m80 -72.77 -19.21 61.4 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.467 1.104 . . . . 0.0 109.596 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 16.3 m -116.77 150.66 18.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.491 1.119 . . . . 0.0 109.304 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 129.08 59.61 0.1 Allowed Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.447 1.092 . . . . 0.0 110.957 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 2.5 tptp -103.26 -71.08 0.74 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.505 0.768 . . . . 0.0 109.343 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 16.6 p80 -144.25 140.46 29.25 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.52 1.137 . . . . 0.0 109.581 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 48.1 t -134.4 147.25 50.44 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.496 1.123 . . . . 0.0 110.006 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 89.33 155.71 30.85 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.529 1.143 . . . . 0.0 111.041 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 71.86 4.84 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.479 1.778 . . . . 0.0 110.967 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 56.7 m -45.74 -60.7 2.07 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.501 1.126 . . . . 0.0 109.996 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 2.6 m -72.94 110.13 7.01 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.474 1.109 . . . . 0.0 110.022 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.012 0 O-C-N 124.43 1.081 . . . . 0.0 110.983 -179.97 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.01 0 N-CA-C 110.974 -0.851 . . . . 0.0 110.974 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.8 m -100.65 106.28 17.73 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.477 0.751 . . . . 0.0 109.98 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 13.0 t -149.65 105.14 3.41 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.523 1.14 . . . . 0.0 109.978 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -120.83 -90.57 1.15 Allowed Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.534 1.146 . . . . 0.0 110.967 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 82.4 p -147.47 116.12 6.72 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.513 0.773 . . . . 0.0 109.998 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 5.8 t 57.67 166.8 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.502 1.126 . . . . 0.0 110.017 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.476 ' HA3' ' CD1' ' A' ' 33' ' ' LEU . . . 130.12 178.83 15.63 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.483 1.114 . . . . 0.0 111.016 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . 0.468 ' CB ' ' HB ' ' A' ' 34' ' ' ILE . 0.0 OUTLIER -129.17 102.98 6.71 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.526 0.78 . . . . 0.0 110.262 -179.953 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . 0.464 ' HG2' HD22 ' A' ' 33' ' ' LEU . 0.4 OUTLIER -69.04 121.51 16.82 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.472 1.107 . . . . 0.0 110.305 179.981 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 8.0 m-85 -133.53 171.53 13.96 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.509 1.131 . . . . 0.0 110.989 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.523 HG13 ' HA2' ' A' ' 29' ' ' GLY . 2.1 t -126.71 137.65 57.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.44 1.087 . . . . 0.0 109.27 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -71.47 127.95 34.24 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.49 1.119 . . . . 0.0 109.259 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.615 HD11 ' O ' ' A' ' 57' ' ' ASN . 3.2 pt -83.6 2.85 3.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.482 1.114 . . . . 0.0 109.308 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -170.99 161.88 7.05 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.441 1.088 . . . . 0.0 109.287 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . 0.422 ' OD1' ' N ' ' A' ' 15' ' ' ASP . 0.1 OUTLIER -84.59 110.45 18.73 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.485 1.116 . . . . 0.0 109.3 179.986 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . 0.422 ' HB3' ' CE1' ' A' ' 26' ' ' PHE . 8.1 t80 -106.15 146.39 30.28 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.469 1.106 . . . . 0.0 110.982 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.409 ' N ' ' CD1' ' A' ' 16' ' ' TYR . . . -129.48 102.64 6.48 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.493 1.121 . . . . 0.0 109.286 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.408 ' HB1' ' HB2' ' A' ' 23' ' ' GLN . . . -53.38 145.55 14.12 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.515 1.134 . . . . 0.0 109.332 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -97.19 -38.28 9.77 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.496 1.123 . . . . 0.0 110.424 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -104.5 -175.57 2.83 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.496 1.123 . . . . 0.0 109.288 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 6.8 pt-20 -96.14 18.28 13.91 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.478 1.112 . . . . 0.0 110.289 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 28.4 p -108.29 -0.24 20.91 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.488 1.117 . . . . 0.0 110.361 -179.935 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . 0.408 ' HB2' ' HB1' ' A' ' 18' ' ' ALA . 43.4 mt-30 -130.56 154.46 47.81 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.444 1.09 . . . . 0.0 110.284 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.509 HD13 ' CG ' ' A' ' 47' ' ' ARG . 85.9 mt -101.23 155.84 17.78 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.515 1.134 . . . . 0.0 109.289 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . 0.403 ' O ' ' NH1' ' A' ' 47' ' ' ARG . 54.8 p -116.86 133.87 55.48 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.542 1.151 . . . . 0.0 110.043 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . 0.613 ' CB ' HD11 ' A' ' 32' ' ' ILE . 2.4 p90 -145.58 173.98 11.57 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.497 1.123 . . . . 0.0 111.004 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.608 HD12 ' N ' ' A' ' 28' ' ' ARG . 0.1 OUTLIER -117.34 145.89 43.74 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.491 1.12 . . . . 0.0 109.313 -179.995 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . 0.608 ' N ' HD12 ' A' ' 27' ' ' LEU . 72.2 ttt180 -43.8 110.55 0.21 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.531 1.144 . . . . 0.0 110.305 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . 0.523 ' HA2' HG13 ' A' ' 11' ' ' VAL . . . 120.05 -35.77 3.68 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.492 1.12 . . . . 0.0 110.989 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -44.01 131.61 5.72 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.505 0.768 . . . . 0.0 110.319 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 1.5 mptt -76.12 100.88 5.13 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.523 1.14 . . . . 0.0 109.299 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.613 HD11 ' CB ' ' A' ' 26' ' ' PHE . 5.3 mm -94.33 126.48 46.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.506 1.129 . . . . 0.0 109.271 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.476 ' CD1' ' HA3' ' A' ' 7' ' ' GLY . 0.2 OUTLIER -88.18 117.81 27.33 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.467 1.105 . . . . 0.0 109.321 179.998 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.65 ' CD1' HD11 ' A' ' 54' ' ' ILE . 26.5 mm -92.35 82.01 1.73 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.491 1.119 . . . . 0.0 109.295 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.446 ' CD1' ' HB3' ' A' ' 46' ' ' GLU . 8.2 mp -48.05 -69.24 0.13 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.451 1.095 . . . . 0.0 109.294 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 3.9 ttt180 -135.92 172.24 13.3 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.499 1.124 . . . . 0.0 110.276 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . 0.52 ' HG2' ' CD2' ' A' ' 43' ' ' TRP . 12.0 mt-30 -128.91 71.5 1.42 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.51 1.131 . . . . 0.0 110.331 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . 0.635 HG22 HG23 ' A' ' 39' ' ' THR . 6.8 m -38.48 -33.01 0.09 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.483 1.115 . . . . 0.0 110.4 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . 0.635 HG23 HG22 ' A' ' 38' ' ' THR . 68.6 p -148.82 -176.36 5.3 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.492 1.12 . . . . 0.0 110.413 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -98.8 8.84 44.52 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.517 1.136 . . . . 0.0 109.283 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -119.32 -40.51 2.8 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.511 1.132 . . . . 0.0 109.277 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 81.3 m95 -120.77 129.25 53.52 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 108.009 -1.108 . . . . 0.0 108.009 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' TRP . . . . . 0.52 ' CD2' ' HG2' ' A' ' 37' ' ' GLN . 47.0 m0 -112.53 153.42 27.51 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 107.973 -1.121 . . . . 0.0 107.973 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' TRP . . . . . 0.475 ' CE3' ' CD2' ' A' ' 53' ' ' TYR . 68.2 t-105 -99.99 105.18 16.84 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.517 1.136 . . . . 0.0 108.02 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -102.29 171.03 21.01 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.459 1.1 . . . . 0.0 110.982 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.446 ' HB3' ' CD1' ' A' ' 35' ' ' LEU . 20.3 tt0 -139.5 120.65 14.74 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.512 0.772 . . . . 0.0 110.264 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . 0.509 ' CG ' HD13 ' A' ' 24' ' ' LEU . 8.9 mmm-85 -91.16 -175.34 4.26 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.51 1.131 . . . . 0.0 110.296 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -60.84 103.84 0.3 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.481 1.113 . . . . 0.0 109.23 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 62.92 8.0 19.75 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.473 1.108 . . . . 0.0 111.009 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -114.8 162.34 17.0 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 108.335 -0.987 . . . . 0.0 108.335 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 7.6 m -148.77 112.86 5.19 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.515 1.134 . . . . 0.0 108.332 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -148.42 179.15 25.5 Favored Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.505 1.128 . . . . 0.0 111.022 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' TYR . . . . . 0.475 ' CD2' ' CE3' ' A' ' 44' ' ' TRP . 1.4 m-85 -93.83 154.1 17.92 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.469 0.747 . . . . 0.0 110.995 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . 0.65 HD11 ' CD1' ' A' ' 34' ' ' ILE . 3.7 pt -137.01 151.18 71.6 Favored Pre-proline 0 C--N 1.326 -0.438 0 O-C-N 124.473 1.108 . . . . 0.0 109.296 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 167.88 26.07 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.483 1.781 . . . . 0.0 111.007 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -112.52 85.62 2.2 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.13 . . . . 0.0 109.309 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . 0.615 ' O ' HD11 ' A' ' 13' ' ' ILE . 1.5 t-20 168.83 -35.45 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.492 1.12 . . . . 0.0 109.278 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' HIS . . . . . 0.437 ' O ' ' CG1' ' A' ' 13' ' ' ILE . 3.1 m170 -72.62 -28.12 62.57 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.471 1.107 . . . . 0.0 109.586 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 21.4 m -106.11 161.03 5.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.54 1.15 . . . . 0.0 109.321 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -178.2 175.82 47.67 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.43 1.081 . . . . 0.0 110.972 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -97.84 81.82 2.93 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.521 0.777 . . . . 0.0 109.31 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 29.4 t-80 -93.65 138.19 32.13 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.46 1.1 . . . . 0.0 109.626 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -51.77 128.42 23.64 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.513 1.133 . . . . 0.0 110.003 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -43.34 102.2 0.03 OUTLIER Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.461 1.1 . . . . 0.0 110.985 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 82.95 1.9 Allowed 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.463 1.77 . . . . 0.0 110.968 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 55.6 p -44.77 108.47 0.12 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.508 1.13 . . . . 0.0 109.978 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 5.2 t -62.06 -56.39 19.44 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.46 1.1 . . . . 0.0 109.972 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.957 0 O-C-N 124.446 1.091 . . . . 0.0 111.022 -179.96 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.037 0 N-CA-C 110.968 -0.853 . . . . 0.0 110.968 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.7 m -159.5 84.78 0.77 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.499 0.764 . . . . 0.0 109.975 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 9.3 t -118.31 125.93 51.08 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.458 1.099 . . . . 0.0 110.003 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 90.51 -178.79 43.02 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.514 1.134 . . . . 0.0 111.032 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 7.1 t -121.78 109.54 14.81 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.49 0.759 . . . . 0.0 110.007 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -78.75 99.13 6.54 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.535 1.147 . . . . 0.0 110.014 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.446 ' HA3' ' CD1' ' A' ' 33' ' ' LEU . . . -115.44 -173.17 17.43 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.528 1.143 . . . . 0.0 111.04 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -125.56 113.53 17.55 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.529 0.781 . . . . 0.0 110.29 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . 0.511 ' HG3' HD22 ' A' ' 33' ' ' LEU . 0.0 OUTLIER -78.04 108.64 11.47 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.512 1.133 . . . . 0.0 110.315 179.977 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 6.5 m-85 -111.99 166.85 10.87 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.518 1.136 . . . . 0.0 110.973 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.482 HG22 ' O ' ' A' ' 29' ' ' GLY . 2.1 t -123.98 137.11 58.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.491 1.119 . . . . 0.0 109.295 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . 0.41 ' HB2' ' CD1' ' A' ' 26' ' ' PHE . . . -71.8 118.01 14.11 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.49 1.119 . . . . 0.0 109.291 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 2.4 pt -72.95 -11.16 14.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.469 1.106 . . . . 0.0 109.333 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -169.37 137.98 1.94 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.52 1.138 . . . . 0.0 109.259 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 1.6 p30 -54.71 142.62 27.91 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.502 1.126 . . . . 0.0 109.282 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 51.4 t80 -131.43 155.1 47.92 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.494 1.121 . . . . 0.0 110.991 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -127.53 113.15 15.76 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.538 1.149 . . . . 0.0 109.318 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.72 ' HB1' ' HB2' ' A' ' 23' ' ' GLN . . . -52.95 129.0 29.08 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.485 1.115 . . . . 0.0 109.275 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -85.51 -27.74 25.43 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.477 1.111 . . . . 0.0 110.414 179.939 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 21.0 m-20 -113.69 -176.03 2.81 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.5 1.125 . . . . 0.0 109.301 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -98.31 18.03 17.35 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.485 1.116 . . . . 0.0 110.328 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 39.5 p -127.46 16.6 7.06 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.461 1.101 . . . . 0.0 110.423 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . 0.72 ' HB2' ' HB1' ' A' ' 18' ' ' ALA . 96.3 mt-30 -115.53 163.99 14.95 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.47 1.106 . . . . 0.0 110.276 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.637 HD13 ' CG ' ' A' ' 47' ' ' ARG . 19.6 mt -110.09 140.14 44.47 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.524 1.14 . . . . 0.0 109.263 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 14.7 m -115.36 130.52 56.92 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.513 1.133 . . . . 0.0 109.969 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . 0.526 ' CB ' HD11 ' A' ' 32' ' ' ILE . 3.3 p90 -140.07 175.16 9.82 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.511 1.132 . . . . 0.0 111.007 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.585 HD12 ' N ' ' A' ' 28' ' ' ARG . 0.1 OUTLIER -115.49 143.84 44.73 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.447 1.092 . . . . 0.0 109.328 179.996 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . 0.585 ' N ' HD12 ' A' ' 27' ' ' LEU . 3.9 ttt-85 -42.18 113.7 0.47 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.512 1.133 . . . . 0.0 110.322 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . 0.482 ' O ' HG22 ' A' ' 11' ' ' VAL . . . 117.42 -36.71 3.59 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.512 1.132 . . . . 0.0 110.946 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -43.72 132.71 4.94 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.509 0.77 . . . . 0.0 110.304 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 1.8 mptt -77.7 103.77 7.83 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.482 1.114 . . . . 0.0 109.316 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.526 HD11 ' CB ' ' A' ' 26' ' ' PHE . 4.9 mm -96.47 129.2 46.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.505 1.128 . . . . 0.0 109.326 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.511 HD22 ' HG3' ' A' ' 9' ' ' GLU . 0.1 OUTLIER -91.24 120.78 32.44 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.518 1.136 . . . . 0.0 109.316 -179.985 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.715 HD12 HD11 ' A' ' 54' ' ' ILE . 10.1 mm -98.07 100.88 11.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 0.0 109.331 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.414 HD21 ' CB ' ' A' ' 46' ' ' GLU . 2.8 mm? -69.02 -68.42 0.4 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.483 1.115 . . . . 0.0 109.326 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -124.59 170.59 10.78 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.497 1.123 . . . . 0.0 110.344 179.948 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . 0.45 ' O ' ' N ' ' A' ' 39' ' ' THR . 59.6 mt-30 -100.86 -23.09 14.64 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.465 1.103 . . . . 0.0 110.24 -179.946 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . 0.424 HG22 HG23 ' A' ' 39' ' ' THR . 92.1 m 65.02 -74.3 0.05 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.501 1.125 . . . . 0.0 110.401 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . 0.69 ' O ' ' HB2' ' A' ' 40' ' ' ALA . 9.4 p -123.8 -65.33 1.08 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.515 1.134 . . . . 0.0 110.408 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.69 ' HB2' ' O ' ' A' ' 39' ' ' THR . . . 163.85 -31.89 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.529 1.143 . . . . 0.0 109.305 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -93.6 -25.85 17.35 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.509 1.131 . . . . 0.0 109.297 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 90.5 m95 -122.43 123.77 42.09 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.499 1.124 . . . . 0.0 107.968 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 44.1 m0 -112.52 153.31 27.66 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.533 1.146 . . . . 0.0 107.986 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' TRP . . . . . 0.508 ' CE3' ' CD2' ' A' ' 53' ' ' TYR . 56.4 t-105 -104.0 108.34 19.64 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 107.985 -1.117 . . . . 0.0 107.985 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -107.59 -179.36 22.27 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.475 1.11 . . . . 0.0 111.014 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.414 ' CB ' HD21 ' A' ' 35' ' ' LEU . 28.8 tt0 -142.94 120.68 11.88 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.5 0.765 . . . . 0.0 110.339 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . 0.637 ' CG ' HD13 ' A' ' 24' ' ' LEU . 0.1 OUTLIER -92.77 179.9 5.34 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.52 1.138 . . . . 0.0 110.299 -179.994 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -56.49 103.46 0.11 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.488 1.118 . . . . 0.0 109.287 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 62.73 7.67 16.96 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.541 1.151 . . . . 0.0 111.009 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' CYS . . . . . 0.427 ' C ' ' HG ' ' A' ' 51' ' ' CYS . 1.2 m -115.15 158.63 21.96 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 108.321 -0.992 . . . . 0.0 108.321 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' CYS . . . . . 0.427 ' HG ' ' C ' ' A' ' 50' ' ' CYS . 7.4 m -148.73 111.4 4.78 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.551 1.157 . . . . 0.0 108.266 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -148.87 -176.8 22.52 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.436 1.085 . . . . 0.0 110.995 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' TYR . . . . . 0.508 ' CD2' ' CE3' ' A' ' 44' ' ' TRP . 1.5 m-85 -92.49 151.71 20.05 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.507 0.769 . . . . 0.0 111.005 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . 0.715 HD11 HD12 ' A' ' 34' ' ' ILE . 3.6 pt -135.11 148.57 67.18 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.509 1.13 . . . . 0.0 109.314 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . 0.409 ' HD3' ' HA ' ' A' ' 54' ' ' ILE . 18.1 Cg_endo -75.04 160.47 40.0 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.453 1.765 . . . . 0.0 111.001 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -108.28 83.16 1.74 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.566 1.166 . . . . 0.0 109.331 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 25.5 t-20 177.19 -40.35 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.537 1.148 . . . . 0.0 109.317 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 40.8 m80 -70.55 -20.4 62.8 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.449 1.093 . . . . 0.0 109.634 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 10.9 m -118.58 144.41 26.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.536 1.148 . . . . 0.0 109.268 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -166.56 -144.84 4.24 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.515 1.135 . . . . 0.0 111.017 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 10.7 mmtm 57.12 171.84 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.519 0.776 . . . . 0.0 109.296 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -159.06 137.23 10.55 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.511 1.132 . . . . 0.0 109.625 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -140.17 -59.65 0.54 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.488 1.117 . . . . 0.0 110.007 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 130.71 179.73 16.31 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.527 1.142 . . . . 0.0 110.988 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 92.81 0.97 Allowed 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.502 1.791 . . . . 0.0 111.004 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . 0.443 ' O ' ' N ' ' A' ' 68' ' ' GLY . 9.6 t -106.48 110.77 23.08 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.528 1.143 . . . . 0.0 110.041 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 75.2 m 64.48 -76.46 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.53 1.144 . . . . 0.0 110.055 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . 0.443 ' N ' ' O ' ' A' ' 66' ' ' SER . . . . . . . . 0 CA--C 1.53 1.014 0 O-C-N 124.519 1.137 . . . . 0.0 111.028 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.036 0 N-CA-C 110.984 -0.847 . . . . 0.0 110.984 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 33.7 t -179.52 128.39 0.09 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.563 0.802 . . . . 0.0 109.992 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 69.4 m -98.37 102.29 13.99 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.467 1.105 . . . . 0.0 110.046 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -178.98 -70.25 0.06 OUTLIER Glycine 0 CA--C 1.529 0.947 0 O-C-N 124.488 1.118 . . . . 0.0 111.051 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.6 m 53.02 84.79 0.05 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.479 0.752 . . . . 0.0 110.011 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 50.5 m 66.28 126.14 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.484 1.115 . . . . 0.0 109.988 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -175.89 168.12 40.24 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.505 1.128 . . . . 0.0 110.966 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -120.35 109.2 15.07 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.515 0.773 . . . . 0.0 110.338 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -73.4 120.47 19.05 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.52 1.137 . . . . 0.0 110.315 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 5.7 m-85 -131.12 160.87 33.47 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.543 1.152 . . . . 0.0 111.011 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.592 HG13 ' HA2' ' A' ' 29' ' ' GLY . 2.1 t -117.74 142.03 33.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.533 1.145 . . . . 0.0 109.269 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . 0.421 ' O ' ' HA ' ' A' ' 28' ' ' ARG . . . -74.93 118.21 17.64 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.529 1.143 . . . . 0.0 109.278 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.544 HD13 ' HG3' ' A' ' 61' ' ' LYS . 2.5 pt -76.02 -3.69 5.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.493 1.121 . . . . 0.0 109.308 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -171.16 138.31 1.23 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.542 1.152 . . . . 0.0 109.256 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 6.4 p-10 -60.73 140.45 57.53 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.445 1.09 . . . . 0.0 109.309 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . 0.434 ' OH ' ' NE2' ' A' ' 23' ' ' GLN . 53.7 t80 -130.88 161.36 32.02 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.543 1.152 . . . . 0.0 111.009 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -133.33 115.61 15.11 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.474 1.109 . . . . 0.0 109.314 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -53.94 115.76 2.19 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.462 1.101 . . . . 0.0 109.29 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 72.0 p -82.67 -10.11 59.07 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.492 1.12 . . . . 0.0 110.425 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -138.25 173.97 11.05 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.474 1.109 . . . . 0.0 109.33 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 13.5 pt-20 -88.47 17.25 5.49 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.545 1.153 . . . . 0.0 110.243 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 21.0 p -123.15 13.41 9.67 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.454 1.097 . . . . 0.0 110.441 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . 0.434 ' NE2' ' OH ' ' A' ' 16' ' ' TYR . 65.3 mt-30 -125.06 157.08 37.12 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.479 1.112 . . . . 0.0 110.28 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.669 HD13 ' CG ' ' A' ' 47' ' ' ARG . 12.7 mt -100.1 146.13 27.15 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.514 1.133 . . . . 0.0 109.347 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 79.7 p -111.94 137.81 49.42 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.512 1.132 . . . . 0.0 109.969 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . 0.659 ' CB ' HD11 ' A' ' 32' ' ' ILE . 11.0 p90 -154.39 -178.9 7.46 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.501 1.125 . . . . 0.0 111.029 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.594 HD12 ' N ' ' A' ' 28' ' ' ARG . 0.1 OUTLIER -127.69 142.86 51.22 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.533 1.145 . . . . 0.0 109.339 179.983 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . 0.594 ' N ' HD12 ' A' ' 27' ' ' LEU . 8.8 ttt85 -39.16 115.33 0.48 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.531 1.144 . . . . 0.0 110.32 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . 0.592 ' HA2' HG13 ' A' ' 11' ' ' VAL . . . 114.65 -40.41 2.48 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.525 1.141 . . . . 0.0 111.01 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -39.04 134.38 1.05 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.509 0.77 . . . . 0.0 110.313 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.453 ' O ' ' NH2' ' A' ' 47' ' ' ARG . 0.3 OUTLIER -74.81 100.34 4.01 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.549 1.156 . . . . 0.0 109.302 -179.998 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.659 HD11 ' CB ' ' A' ' 26' ' ' PHE . 4.4 mm -95.45 123.95 47.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.53 1.144 . . . . 0.0 109.262 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.497 HD12 HD12 ' A' ' 35' ' ' LEU . 0.2 OUTLIER -89.5 117.66 28.57 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.484 1.115 . . . . 0.0 109.321 179.967 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.615 ' CD1' HD11 ' A' ' 54' ' ' ILE . 33.3 mm -91.16 77.63 1.35 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.472 1.107 . . . . 0.0 109.279 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.657 HD22 ' HB2' ' A' ' 46' ' ' GLU . 7.0 mp -46.1 -67.61 0.27 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.426 1.079 . . . . 0.0 109.345 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 5.6 ttt180 -128.38 163.01 25.77 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.496 1.122 . . . . 0.0 110.313 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . 0.445 ' O ' ' N ' ' A' ' 39' ' ' THR . 6.6 mt-30 -99.08 -50.83 4.03 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.513 1.133 . . . . 0.0 110.302 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 21.0 m 66.61 -69.79 0.12 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.497 1.123 . . . . 0.0 110.409 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . 0.445 ' N ' ' O ' ' A' ' 37' ' ' GLN . 14.4 p -123.22 160.58 26.28 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.53 1.144 . . . . 0.0 110.406 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -86.51 10.49 15.15 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.562 1.164 . . . . 0.0 109.308 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 3.6 t0 -121.73 -42.22 2.43 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.464 1.102 . . . . 0.0 109.262 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 78.8 m95 -120.52 130.26 54.17 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.474 1.109 . . . . 0.0 108.028 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 45.4 m0 -113.15 160.12 18.55 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.484 1.115 . . . . 0.0 108.015 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 41.0 t-105 -106.79 107.92 19.17 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.498 1.123 . . . . 0.0 107.975 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -105.02 174.78 21.73 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.478 1.111 . . . . 0.0 110.993 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.657 ' HB2' HD22 ' A' ' 35' ' ' LEU . 20.1 tt0 -146.62 120.22 9.14 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.464 0.744 . . . . 0.0 110.256 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . 0.669 ' CG ' HD13 ' A' ' 24' ' ' LEU . 0.0 OUTLIER -93.65 -176.09 3.96 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.526 1.141 . . . . 0.0 110.303 179.945 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -57.85 103.17 0.12 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.464 1.103 . . . . 0.0 109.24 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 62.4 9.2 22.81 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.486 1.116 . . . . 0.0 110.98 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 1.1 m -114.45 157.35 23.02 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 108.289 -1.004 . . . . 0.0 108.289 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 8.2 p -148.46 112.2 5.09 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.481 1.113 . . . . 0.0 108.267 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -148.14 178.96 25.38 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.551 1.157 . . . . 0.0 111.013 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 2.7 m-85 -91.86 148.91 21.87 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.55 0.794 . . . . 0.0 111.033 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . 0.615 HD11 ' CD1' ' A' ' 34' ' ' ILE . 5.1 pt -134.42 151.41 76.13 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.52 1.138 . . . . 0.0 109.324 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . 0.402 ' HD3' ' HA ' ' A' ' 54' ' ' ILE . 18.3 Cg_endo -74.99 167.32 27.31 Favored 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.499 1.789 . . . . 0.0 111.033 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -111.3 84.48 1.95 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.503 1.127 . . . . 0.0 109.286 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 1.8 t-20 170.68 -35.39 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.511 1.132 . . . . 0.0 109.295 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' HIS . . . . . 0.435 ' O ' ' CG1' ' A' ' 13' ' ' ILE . 13.9 m80 -69.28 -28.47 66.32 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.478 1.111 . . . . 0.0 109.623 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 13.3 m -101.58 145.69 11.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.516 1.135 . . . . 0.0 109.332 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 45.56 -167.19 0.05 OUTLIER Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.484 1.115 . . . . 0.0 110.986 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . 0.544 ' HG3' HD13 ' A' ' 13' ' ' ILE . 2.0 mmtt -172.29 -52.38 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.517 0.775 . . . . 0.0 109.27 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 9.6 m-70 -135.66 -55.43 0.78 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.496 1.122 . . . . 0.0 109.617 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 49.9 m 62.02 142.32 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.487 1.117 . . . . 0.0 110.016 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 170.76 -157.96 29.31 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.514 1.134 . . . . 0.0 110.987 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 160.2 40.5 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.476 1.777 . . . . 0.0 111.018 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 39.1 m -121.89 143.32 49.51 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.488 1.117 . . . . 0.0 109.977 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 21.9 t -154.8 120.04 4.99 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.508 1.13 . . . . 0.0 109.993 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.964 0 O-C-N 124.548 1.155 . . . . 0.0 111.012 -180.0 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.003 0 N-CA-C 111.025 -0.83 . . . . 0.0 111.025 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 89.1 p -56.25 156.29 5.9 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.521 0.777 . . . . 0.0 110.028 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -144.01 147.37 33.78 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.53 1.144 . . . . 0.0 109.997 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 93.02 142.46 11.65 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.448 1.092 . . . . 0.0 111.005 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 29.9 m -105.09 -57.2 2.06 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.486 0.756 . . . . 0.0 110.012 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -90.25 158.37 17.23 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.451 1.094 . . . . 0.0 109.992 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -108.68 178.27 20.92 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.483 1.115 . . . . 0.0 110.979 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 8.9 mt-10 -121.41 135.13 55.1 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.529 0.782 . . . . 0.0 110.286 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . 0.407 ' HG3' HD22 ' A' ' 33' ' ' LEU . 0.0 OUTLIER -90.89 117.82 29.79 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.461 1.1 . . . . 0.0 110.319 179.971 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 14.6 m-85 -115.89 163.39 15.95 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.537 1.148 . . . . 0.0 111.013 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.493 HG13 ' HA2' ' A' ' 29' ' ' GLY . 2.3 t -124.09 136.45 60.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.498 1.124 . . . . 0.0 109.267 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . 0.404 ' O ' ' HA ' ' A' ' 28' ' ' ARG . . . -70.96 117.9 13.04 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.486 1.116 . . . . 0.0 109.292 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.407 ' N ' ' O ' ' A' ' 58' ' ' HIS . 2.9 pt -66.14 -17.27 22.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.458 1.098 . . . . 0.0 109.319 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -163.81 156.82 18.21 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.472 1.107 . . . . 0.0 109.308 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 2.9 p-10 -62.37 143.79 56.57 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.406 1.066 . . . . 0.0 109.316 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . 0.557 ' HB2' ' CD2' ' A' ' 58' ' ' HIS . 11.2 t80 -133.17 152.49 51.94 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.533 1.145 . . . . 0.0 110.974 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -129.9 114.45 15.89 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.491 1.119 . . . . 0.0 109.284 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.669 ' HB1' ' HB2' ' A' ' 23' ' ' GLN . . . -53.12 130.94 35.83 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.515 1.134 . . . . 0.0 109.289 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -84.45 -36.5 22.29 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.45 1.094 . . . . 0.0 110.388 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 5.3 t0 -108.43 -172.65 2.1 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.566 1.166 . . . . 0.0 109.265 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -99.82 17.66 20.21 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.48 1.112 . . . . 0.0 110.293 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 40.9 p -127.79 28.95 5.53 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.459 1.1 . . . . 0.0 110.382 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . 0.669 ' HB2' ' HB1' ' A' ' 18' ' ' ALA . 81.5 mt-30 -126.52 163.45 23.36 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.477 1.11 . . . . 0.0 110.309 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.513 HD13 ' CG ' ' A' ' 47' ' ' ARG . 21.7 mt -105.91 136.33 45.75 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.49 1.119 . . . . 0.0 109.348 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 9.8 p -109.36 133.22 53.33 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.507 1.129 . . . . 0.0 109.983 -179.933 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . 0.529 ' CE1' ' HB3' ' A' ' 16' ' ' TYR . 2.0 p90 -143.53 -178.96 6.14 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.459 1.099 . . . . 0.0 110.988 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.58 HD12 ' N ' ' A' ' 28' ' ' ARG . 0.1 OUTLIER -127.44 143.9 51.13 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.506 1.129 . . . . 0.0 109.289 179.973 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . 0.58 ' N ' HD12 ' A' ' 27' ' ' LEU . 5.3 ttt180 -39.01 122.9 1.25 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.477 1.111 . . . . 0.0 110.275 -179.942 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . 0.493 ' HA2' HG13 ' A' ' 11' ' ' VAL . . . 104.63 -32.0 7.99 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.498 1.124 . . . . 0.0 111.035 -179.944 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 4.8 mt-10 -45.93 129.96 9.63 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.512 0.772 . . . . 0.0 110.317 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 19.3 mmtt -76.51 102.32 6.0 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.494 1.121 . . . . 0.0 109.297 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.475 HD11 ' CB ' ' A' ' 26' ' ' PHE . 4.9 mm -94.95 158.07 2.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.541 1.151 . . . . 0.0 109.274 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.407 HD22 ' HG3' ' A' ' 9' ' ' GLU . 0.1 OUTLIER -117.88 134.0 55.37 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.47 1.106 . . . . 0.0 109.341 179.972 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.647 ' CD1' HD11 ' A' ' 54' ' ' ILE . 30.2 mm -112.41 94.9 3.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.572 1.17 . . . . 0.0 109.293 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 2.3 mm? -70.54 -63.04 1.17 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.486 1.116 . . . . 0.0 109.317 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -131.55 155.27 47.76 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.461 1.101 . . . . 0.0 110.308 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . 0.442 ' O ' ' N ' ' A' ' 39' ' ' THR . 38.7 mt-30 -89.71 -16.45 30.35 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.473 1.108 . . . . 0.0 110.307 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . 0.494 HG22 HG23 ' A' ' 39' ' ' THR . 90.5 m 62.67 -78.91 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.491 1.119 . . . . 0.0 110.411 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . 0.608 ' O ' ' HB2' ' A' ' 40' ' ' ALA . 22.9 p -116.86 -64.22 1.34 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.524 1.14 . . . . 0.0 110.459 179.945 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.608 ' HB2' ' O ' ' A' ' 39' ' ' THR . . . 169.08 -39.88 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.487 1.117 . . . . 0.0 109.302 179.941 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -87.39 -39.05 15.62 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.493 1.121 . . . . 0.0 109.329 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 94.0 m95 -106.17 123.52 48.16 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.539 1.149 . . . . 0.0 108.003 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' TRP . . . . . 0.421 ' NE1' ' O ' ' A' ' 40' ' ' ALA . 43.8 m0 -112.24 154.76 25.11 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.505 1.128 . . . . 0.0 108.024 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' TRP . . . . . 0.539 ' CE3' ' CE2' ' A' ' 53' ' ' TYR . 56.1 t-105 -104.9 106.11 16.46 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 107.98 -1.119 . . . . 0.0 107.98 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -105.64 -171.97 23.73 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.438 1.086 . . . . 0.0 111.033 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.402 ' HG3' ' HG ' ' A' ' 51' ' ' CYS . 34.2 tt0 -147.8 121.3 9.11 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.479 0.752 . . . . 0.0 110.312 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . 0.513 ' CG ' HD13 ' A' ' 24' ' ' LEU . 3.1 mmm180 -91.3 -177.14 4.77 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.484 1.115 . . . . 0.0 110.334 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -59.46 103.79 0.22 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.501 1.126 . . . . 0.0 109.267 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 62.94 7.14 14.87 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.503 1.127 . . . . 0.0 110.989 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 1.1 m -115.23 162.06 17.59 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 108.297 -1.001 . . . . 0.0 108.297 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' CYS . . . . . 0.402 ' HG ' ' HG3' ' A' ' 46' ' ' GLU . 11.6 m -148.59 111.18 4.74 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.546 1.154 . . . . 0.0 108.294 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -148.92 -176.9 22.64 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.488 1.117 . . . . 0.0 110.999 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' TYR . . . . . 0.539 ' CE2' ' CE3' ' A' ' 44' ' ' TRP . 4.2 m-85 -90.19 160.53 16.18 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.518 0.775 . . . . 0.0 111.019 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . 0.647 HD11 ' CD1' ' A' ' 34' ' ' ILE . 2.6 pt -144.75 147.6 36.24 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.479 1.112 . . . . 0.0 109.257 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . 0.407 ' HD3' ' HA ' ' A' ' 54' ' ' ILE . 18.3 Cg_endo -75.06 163.63 34.83 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.529 1.804 . . . . 0.0 111.002 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -110.19 84.03 1.86 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.514 1.134 . . . . 0.0 109.304 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 38.5 t-20 177.32 -38.56 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.449 1.093 . . . . 0.0 109.31 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' HIS . . . . . 0.557 ' CD2' ' HB2' ' A' ' 16' ' ' TYR . 39.2 m80 -70.98 -28.1 64.2 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.529 1.143 . . . . 0.0 109.618 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 15.7 m -111.0 149.3 13.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.51 1.131 . . . . 0.0 109.304 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -159.01 -145.01 4.12 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.518 1.136 . . . . 0.0 111.005 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -110.64 138.57 46.87 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.519 0.776 . . . . 0.0 109.286 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . 0.415 ' NE2' ' HA2' ' A' ' 64' ' ' GLY . 60.1 t60 -107.11 138.33 43.49 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.489 1.118 . . . . 0.0 109.606 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 3.0 m -95.18 -61.04 1.55 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.511 1.132 . . . . 0.0 109.993 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . 0.415 ' HA2' ' NE2' ' A' ' 62' ' ' HIS . . . 139.36 -145.96 17.35 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.524 1.14 . . . . 0.0 110.977 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -39.05 1.33 Allowed 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.482 1.78 . . . . 0.0 111.036 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 3.3 m 58.87 89.11 0.06 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.524 1.14 . . . . 0.0 110.012 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -50.67 156.67 0.89 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.512 1.133 . . . . 0.0 110.039 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.024 0 O-C-N 124.451 1.094 . . . . 0.0 110.958 179.988 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.027 0 N-CA-C 110.99 -0.844 . . . . 0.0 110.99 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -98.14 -76.95 0.52 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.496 0.763 . . . . 0.0 109.988 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 31.2 m -140.94 141.19 34.52 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.484 1.115 . . . . 0.0 110.011 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 121.59 -164.88 14.63 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.482 1.114 . . . . 0.0 111.033 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 88.0 p -54.28 145.82 16.86 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.508 0.769 . . . . 0.0 109.968 -179.939 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 14.8 m -132.88 89.18 2.59 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.518 1.136 . . . . 0.0 109.966 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.476 ' HA3' ' CD1' ' A' ' 33' ' ' LEU . . . 72.19 -170.28 50.2 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.452 1.095 . . . . 0.0 111.006 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -123.81 121.2 34.79 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.503 0.767 . . . . 0.0 110.302 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . 0.466 ' HG3' ' CD2' ' A' ' 33' ' ' LEU . 0.1 OUTLIER -78.98 104.17 9.44 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.513 1.133 . . . . 0.0 110.288 -179.997 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 11.0 m-85 -106.88 160.39 15.55 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.519 1.137 . . . . 0.0 110.969 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.518 HG13 ' HA2' ' A' ' 29' ' ' GLY . 2.2 t -121.21 136.55 57.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.496 1.122 . . . . 0.0 109.265 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . 0.405 ' O ' ' HA ' ' A' ' 28' ' ' ARG . . . -70.91 117.95 13.07 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.472 1.107 . . . . 0.0 109.361 179.945 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 3.5 pt -67.33 -18.38 23.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.482 1.114 . . . . 0.0 109.323 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -162.57 152.3 15.96 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.498 1.124 . . . . 0.0 109.311 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 4.8 p-10 -59.37 141.35 54.76 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.513 1.133 . . . . 0.0 109.295 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . 0.448 ' HB3' ' CE1' ' A' ' 26' ' ' PHE . 82.9 t80 -131.56 153.3 50.0 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.472 1.107 . . . . 0.0 110.977 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -128.35 112.5 14.5 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.472 1.108 . . . . 0.0 109.28 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.587 ' HB1' ' HB2' ' A' ' 23' ' ' GLN . . . -53.17 120.18 5.63 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.471 1.107 . . . . 0.0 109.302 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -76.7 -27.05 55.36 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.535 1.147 . . . . 0.0 110.394 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 5.3 t0 -116.76 173.21 6.76 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.525 1.141 . . . . 0.0 109.277 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -90.79 17.57 7.55 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.532 1.145 . . . . 0.0 110.321 179.94 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 81.3 p -121.96 6.76 9.81 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.452 1.095 . . . . 0.0 110.413 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . 0.587 ' HB2' ' HB1' ' A' ' 18' ' ' ALA . 24.3 mt-30 -108.19 170.56 7.93 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.479 1.112 . . . . 0.0 110.331 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.651 HD13 ' HG2' ' A' ' 47' ' ' ARG . 20.5 mt -110.85 142.98 42.15 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.453 1.095 . . . . 0.0 109.292 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 8.5 p -113.66 129.03 56.64 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.509 1.131 . . . . 0.0 110.026 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . 0.511 ' CB ' HD11 ' A' ' 32' ' ' ILE . 2.1 p90 -138.73 -178.96 5.54 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.456 1.097 . . . . 0.0 111.007 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.562 HD12 ' N ' ' A' ' 28' ' ' ARG . 0.1 OUTLIER -126.23 142.19 51.62 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.558 1.162 . . . . 0.0 109.317 179.979 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . 0.562 ' N ' HD12 ' A' ' 27' ' ' LEU . 9.2 ttt180 -38.89 118.1 0.73 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.435 1.084 . . . . 0.0 110.308 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . 0.518 ' HA2' HG13 ' A' ' 11' ' ' VAL . . . 109.0 -31.17 7.93 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.483 1.114 . . . . 0.0 110.988 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -47.24 130.72 13.1 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.536 0.786 . . . . 0.0 110.26 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 45.0 mmtt -76.99 103.21 6.79 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.522 1.139 . . . . 0.0 109.317 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.511 HD11 ' CB ' ' A' ' 26' ' ' PHE . 4.7 mm -95.59 144.64 9.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.535 1.147 . . . . 0.0 109.331 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.476 ' CD1' ' HA3' ' A' ' 7' ' ' GLY . 0.2 OUTLIER -107.13 125.17 50.72 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.515 1.134 . . . . 0.0 109.308 -179.969 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.546 ' CD1' ' CD1' ' A' ' 54' ' ' ILE . 35.0 mm -101.65 100.7 10.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.522 1.139 . . . . 0.0 109.306 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.798 HD21 ' CB ' ' A' ' 46' ' ' GLU . 0.4 OUTLIER -71.18 -67.5 0.51 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.472 1.108 . . . . 0.0 109.278 -179.997 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 12.7 mmt85 -127.1 168.46 14.59 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.453 1.096 . . . . 0.0 110.325 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . 0.436 ' O ' ' N ' ' A' ' 39' ' ' THR . 57.7 mt-30 -100.13 -31.29 11.48 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.461 1.1 . . . . 0.0 110.302 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 10.0 m 67.9 -66.77 0.21 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.526 1.141 . . . . 0.0 110.405 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . 0.479 ' O ' ' HB2' ' A' ' 40' ' ' ALA . 3.3 p -123.41 -80.05 0.62 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.43 1.081 . . . . 0.0 110.345 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.479 ' HB2' ' O ' ' A' ' 39' ' ' THR . . . 176.87 -42.25 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.519 1.137 . . . . 0.0 109.3 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -82.72 -35.42 26.7 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.455 1.097 . . . . 0.0 109.317 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 93.2 m95 -113.73 124.81 53.18 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.485 1.115 . . . . 0.0 108.003 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' TRP . . . . . 0.411 ' NE1' ' O ' ' A' ' 40' ' ' ALA . 46.7 m0 -111.86 161.53 16.27 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 107.954 -1.128 . . . . 0.0 107.954 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' TRP . . . . . 0.439 ' CE3' ' CD2' ' A' ' 53' ' ' TYR . 68.9 t-105 -108.3 109.38 20.71 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.492 1.12 . . . . 0.0 108.003 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . 0.509 ' HA2' HD22 ' A' ' 35' ' ' LEU . . . -105.36 -172.75 24.05 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.556 1.16 . . . . 0.0 111.004 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.798 ' CB ' HD21 ' A' ' 35' ' ' LEU . 22.1 tt0 -152.02 120.65 6.49 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.464 0.743 . . . . 0.0 110.355 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . 0.651 ' HG2' HD13 ' A' ' 24' ' ' LEU . 0.3 OUTLIER -92.88 -173.7 3.38 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.473 1.108 . . . . 0.0 110.269 -179.986 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -60.93 103.14 0.24 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.527 1.142 . . . . 0.0 109.298 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 62.3 9.08 21.48 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.485 1.116 . . . . 0.0 110.958 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -114.74 160.39 19.46 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 108.326 -0.99 . . . . 0.0 108.326 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 12.0 p -148.66 112.3 5.06 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.498 1.124 . . . . 0.0 108.296 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -148.37 -177.65 22.84 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.509 1.13 . . . . 0.0 111.018 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' TYR . . . . . 0.439 ' CD2' ' CE3' ' A' ' 44' ' ' TRP . 10.8 m-85 -94.53 151.05 19.65 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.559 0.799 . . . . 0.0 111.014 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . 0.546 ' CD1' ' CD1' ' A' ' 34' ' ' ILE . 2.6 pt -132.61 150.9 77.1 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.49 1.119 . . . . 0.0 109.289 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . 0.401 ' HD3' ' HA ' ' A' ' 54' ' ' ILE . 18.5 Cg_endo -74.94 175.77 10.78 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.477 1.777 . . . . 0.0 111.016 179.937 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -121.94 86.27 2.55 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.543 1.152 . . . . 0.0 109.291 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 4.6 t-20 169.38 -36.56 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.495 1.122 . . . . 0.0 109.308 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 80.0 m-70 -71.73 -25.03 61.89 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.541 1.151 . . . . 0.0 109.552 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 11.0 m -111.24 144.25 19.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.486 1.116 . . . . 0.0 109.309 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -154.56 -144.77 4.0 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.473 1.108 . . . . 0.0 111.008 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 11.1 tptt -127.11 98.56 5.35 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.475 0.75 . . . . 0.0 109.325 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 1.7 t60 -109.65 163.56 13.36 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.48 1.113 . . . . 0.0 109.591 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -138.7 114.14 9.67 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.473 1.108 . . . . 0.0 109.988 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 163.64 151.25 6.38 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.511 1.132 . . . . 0.0 111.029 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 155.66 43.01 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.495 1.787 . . . . 0.0 110.986 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 9.8 t -169.06 81.47 0.13 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.545 1.153 . . . . 0.0 109.982 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -165.73 156.86 13.79 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.517 1.136 . . . . 0.0 110.006 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.983 0 O-C-N 124.529 1.143 . . . . 0.0 111.049 -179.958 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.014 0 N-CA-C 110.934 -0.867 . . . . 0.0 110.934 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 60.4 p -109.85 90.83 3.42 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.502 0.766 . . . . 0.0 110.019 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 46.3 m -98.18 115.23 27.88 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.517 1.136 . . . . 0.0 109.981 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 79.61 122.03 0.38 Allowed Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.494 1.121 . . . . 0.0 111.024 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 37.2 m -80.12 162.75 24.59 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.442 0.731 . . . . 0.0 110.041 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.1 m 61.48 75.58 0.4 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.507 1.129 . . . . 0.0 110.022 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.463 ' HA3' ' CD1' ' A' ' 33' ' ' LEU . . . 60.86 -176.02 4.66 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.488 1.118 . . . . 0.0 110.974 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 24.0 mt-10 -116.42 125.92 52.7 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.514 0.773 . . . . 0.0 110.253 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . 0.483 ' OE1' ' CG ' ' A' ' 31' ' ' LYS . 0.0 OUTLIER -83.64 109.64 17.61 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.499 1.124 . . . . 0.0 110.28 179.972 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 11.4 m-85 -112.87 156.71 22.46 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.482 1.114 . . . . 0.0 111.021 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.511 HG22 ' O ' ' A' ' 29' ' ' GLY . 2.1 t -116.71 140.05 40.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.522 1.139 . . . . 0.0 109.345 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . 0.4 ' O ' ' HA ' ' A' ' 28' ' ' ARG . . . -71.87 118.11 14.32 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.518 1.136 . . . . 0.0 109.293 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 3.0 pt -71.21 -13.59 17.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.543 1.152 . . . . 0.0 109.272 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -168.7 141.93 2.95 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.485 1.115 . . . . 0.0 109.279 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 1.9 p-10 -59.15 143.75 47.89 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.521 1.138 . . . . 0.0 109.275 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 30.6 t80 -133.56 161.79 33.66 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.492 1.12 . . . . 0.0 110.999 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -131.59 107.98 9.21 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.485 1.116 . . . . 0.0 109.311 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -53.01 123.03 10.54 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.55 1.156 . . . . 0.0 109.306 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -82.51 -22.7 34.95 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.534 1.146 . . . . 0.0 110.432 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -120.04 -177.63 3.46 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.502 1.127 . . . . 0.0 109.315 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 7.5 pt-20 -98.06 17.8 17.57 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.51 1.131 . . . . 0.0 110.298 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 81.2 p -118.1 -5.12 10.96 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.492 1.12 . . . . 0.0 110.381 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 37.4 mt-30 -103.61 159.77 15.32 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.486 1.116 . . . . 0.0 110.279 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.902 HD13 ' CG ' ' A' ' 47' ' ' ARG . 18.2 mt -106.83 144.01 34.09 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.534 1.146 . . . . 0.0 109.28 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . 0.431 ' O ' ' NE ' ' A' ' 47' ' ' ARG . 13.3 p -112.71 133.08 54.9 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.456 1.097 . . . . 0.0 109.993 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . 0.457 ' CB ' HD11 ' A' ' 32' ' ' ILE . 2.2 p90 -143.76 176.59 9.13 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.493 1.12 . . . . 0.0 110.999 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.575 HD12 ' N ' ' A' ' 28' ' ' ARG . 0.1 OUTLIER -119.92 142.63 48.55 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.518 1.136 . . . . 0.0 109.289 179.984 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . 0.575 ' N ' HD12 ' A' ' 27' ' ' LEU . 4.9 ttt-85 -41.16 112.3 0.29 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.444 1.09 . . . . 0.0 110.295 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . 0.511 ' O ' HG22 ' A' ' 11' ' ' VAL . . . 118.05 -37.76 3.15 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.521 1.138 . . . . 0.0 110.964 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -40.72 131.81 2.31 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.502 0.766 . . . . 0.0 110.322 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.483 ' CG ' ' OE1' ' A' ' 9' ' ' GLU . 0.4 OUTLIER -77.35 102.92 7.0 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.499 1.125 . . . . 0.0 109.25 -179.962 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.457 HD11 ' CB ' ' A' ' 26' ' ' PHE . 4.7 mm -96.0 149.18 4.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.488 1.118 . . . . 0.0 109.262 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.463 ' CD1' ' HA3' ' A' ' 7' ' ' GLY . 0.1 OUTLIER -114.24 124.86 53.08 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.474 1.108 . . . . 0.0 109.339 179.977 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.523 ' CD1' ' CD1' ' A' ' 54' ' ' ILE . 15.1 mm -99.88 102.4 13.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.558 1.161 . . . . 0.0 109.282 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.443 HD21 ' CB ' ' A' ' 46' ' ' GLU . 3.0 mm? -71.64 -68.23 0.47 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.127 . . . . 0.0 109.282 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 14.9 mtp180 -123.2 168.78 12.0 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.524 1.14 . . . . 0.0 110.319 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . 0.418 ' O ' ' N ' ' A' ' 39' ' ' THR . 40.0 mt-30 -97.37 -28.56 13.97 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.506 1.129 . . . . 0.0 110.277 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . 0.453 HG21 ' HE1' ' A' ' 53' ' ' TYR . 28.7 m 67.25 -68.57 0.15 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.495 1.122 . . . . 0.0 110.362 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . 0.486 ' O ' ' HB2' ' A' ' 40' ' ' ALA . 51.2 p -130.21 -78.66 0.54 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.528 1.143 . . . . 0.0 110.368 -179.959 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.486 ' HB2' ' O ' ' A' ' 39' ' ' THR . . . 176.49 -37.37 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.509 1.131 . . . . 0.0 109.263 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 22.7 m-20 -91.34 -18.01 24.97 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.475 1.11 . . . . 0.0 109.282 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 94.3 m95 -130.78 123.04 28.29 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.502 1.126 . . . . 0.0 108.012 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 45.6 m0 -112.38 163.65 14.18 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.507 1.129 . . . . 0.0 107.974 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' TRP . . . . . 0.405 ' CE3' ' CD2' ' A' ' 53' ' ' TYR . 67.5 t-105 -112.66 115.0 27.87 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 107.969 -1.123 . . . . 0.0 107.969 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -113.19 -179.24 19.4 Favored Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.529 1.143 . . . . 0.0 110.982 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.443 ' CB ' HD21 ' A' ' 35' ' ' LEU . 40.5 tt0 -140.56 120.73 13.82 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.509 0.77 . . . . 0.0 110.277 -179.959 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . 0.902 ' CG ' HD13 ' A' ' 24' ' ' LEU . 0.0 OUTLIER -92.14 -174.43 3.75 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.464 1.103 . . . . 0.0 110.282 -179.988 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -62.02 102.97 0.32 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.446 1.091 . . . . 0.0 109.278 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 62.42 8.16 17.9 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.53 1.144 . . . . 0.0 110.991 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 1.3 m -115.07 161.63 18.11 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 108.326 -0.991 . . . . 0.0 108.326 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 12.8 p -148.5 111.53 4.87 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.479 1.112 . . . . 0.0 108.317 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -148.58 -176.97 22.44 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.487 1.117 . . . . 0.0 111.009 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' TYR . . . . . 0.453 ' HE1' HG21 ' A' ' 38' ' ' THR . 11.3 m-85 -91.1 162.5 14.65 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.536 0.786 . . . . 0.0 110.998 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . 0.523 ' CD1' ' CD1' ' A' ' 34' ' ' ILE . 4.0 pt -145.83 149.65 40.25 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.518 1.136 . . . . 0.0 109.306 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 155.69 42.99 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.524 1.802 . . . . 0.0 110.988 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . 0.429 ' CB ' ' O ' ' A' ' 40' ' ' ALA . . . -100.63 80.78 2.23 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.129 . . . . 0.0 109.303 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 2.4 t30 173.56 -47.61 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.497 1.123 . . . . 0.0 109.312 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 1.7 m-70 -58.18 -19.91 36.95 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.445 1.091 . . . . 0.0 109.597 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 7.7 m -115.13 144.79 21.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.426 1.079 . . . . 0.0 109.297 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -170.34 111.96 0.44 Allowed Glycine 0 CA--C 1.529 0.943 0 O-C-N 124.505 1.128 . . . . 0.0 111.002 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -116.61 97.9 6.25 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.467 0.746 . . . . 0.0 109.276 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -118.78 113.95 21.92 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.517 1.136 . . . . 0.0 109.621 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -58.05 95.87 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.473 1.108 . . . . 0.0 109.953 -179.95 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -161.82 156.87 28.52 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.527 1.142 . . . . 0.0 111.043 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 115.12 4.18 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.485 1.781 . . . . 0.0 111.002 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 16.8 m -152.84 -68.22 0.16 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.483 1.115 . . . . 0.0 110.033 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 90.1 p -74.05 90.03 1.97 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.489 1.118 . . . . 0.0 110.013 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.991 0 O-C-N 124.486 1.116 . . . . 0.0 111.032 179.97 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.948 0 N-CA-C 111.041 -0.824 . . . . 0.0 111.041 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 74.3 m -111.45 100.98 9.45 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.449 0.734 . . . . 0.0 109.997 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -162.37 -58.22 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.485 1.116 . . . . 0.0 110.021 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 136.28 63.14 0.06 OUTLIER Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.49 1.118 . . . . 0.0 111.027 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.1 t -106.39 148.8 27.67 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.47 0.747 . . . . 0.0 110.0 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 38.2 m -116.64 104.8 11.74 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.48 1.112 . . . . 0.0 109.98 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.434 ' HA3' ' CD1' ' A' ' 33' ' ' LEU . . . -179.07 165.47 34.4 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.51 1.131 . . . . 0.0 111.012 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . 0.421 ' O ' HD13 ' A' ' 33' ' ' LEU . 0.1 OUTLIER -110.14 117.22 33.13 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.467 0.745 . . . . 0.0 110.316 179.992 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . 0.502 ' HA ' HD22 ' A' ' 33' ' ' LEU . 0.4 OUTLIER -80.28 133.47 35.97 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.442 1.089 . . . . 0.0 110.298 -179.966 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 7.3 m-85 -140.14 161.37 37.79 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.526 1.141 . . . . 0.0 111.034 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.631 HG22 ' O ' ' A' ' 29' ' ' GLY . 2.0 t -120.27 139.15 48.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.52 1.138 . . . . 0.0 109.306 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -74.57 121.34 21.42 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.511 1.132 . . . . 0.0 109.261 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.41 ' CG1' ' O ' ' A' ' 58' ' ' HIS . 3.1 pt -80.24 1.67 2.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.465 1.103 . . . . 0.0 109.296 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -171.99 155.73 3.87 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.45 1.094 . . . . 0.0 109.286 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 6.5 p-10 -75.3 135.23 40.92 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.515 1.135 . . . . 0.0 109.287 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . 0.44 ' OH ' ' NE2' ' A' ' 23' ' ' GLN . 61.2 t80 -126.6 163.57 23.15 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.513 1.133 . . . . 0.0 110.999 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.407 ' N ' ' CG ' ' A' ' 16' ' ' TYR . . . -141.15 112.92 7.68 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.445 1.09 . . . . 0.0 109.334 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.547 ' HB1' ' HB2' ' A' ' 23' ' ' GLN . . . -53.05 133.22 38.71 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.548 1.155 . . . . 0.0 109.298 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 15.9 p -100.22 -16.79 17.63 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.559 1.162 . . . . 0.0 110.36 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -120.05 177.61 4.93 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.49 1.119 . . . . 0.0 109.269 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 9.0 pt-20 -93.55 17.19 12.04 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.435 1.084 . . . . 0.0 110.301 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 60.1 p -129.54 21.1 5.59 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.522 1.139 . . . . 0.0 110.416 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . 0.547 ' HB2' ' HB1' ' A' ' 18' ' ' ALA . 60.8 mt-30 -122.4 170.04 10.36 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.565 1.166 . . . . 0.0 110.334 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.583 HD13 ' CG ' ' A' ' 47' ' ' ARG . 43.5 mt -120.34 144.54 47.8 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.516 1.135 . . . . 0.0 109.294 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 6.6 m -112.19 136.63 51.36 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.529 1.143 . . . . 0.0 110.022 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . 0.53 ' CB ' HD11 ' A' ' 32' ' ' ILE . 1.9 p90 -148.12 176.89 9.84 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.499 1.125 . . . . 0.0 110.969 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.684 HD12 ' N ' ' A' ' 28' ' ' ARG . 0.1 OUTLIER -120.26 150.51 40.58 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.511 1.132 . . . . 0.0 109.308 -179.993 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . 0.684 ' N ' HD12 ' A' ' 27' ' ' LEU . 65.8 ttt180 -46.94 108.72 0.15 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.496 1.123 . . . . 0.0 110.275 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . 0.631 ' O ' HG22 ' A' ' 11' ' ' VAL . . . 121.38 -39.8 2.28 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.461 1.1 . . . . 0.0 110.991 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -39.69 132.54 1.64 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.481 0.753 . . . . 0.0 110.335 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.91 104.04 8.23 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.474 1.109 . . . . 0.0 109.304 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.53 HD11 ' CB ' ' A' ' 26' ' ' PHE . 4.6 mm -99.71 138.02 25.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.49 1.119 . . . . 0.0 109.293 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.502 HD22 ' HA ' ' A' ' 9' ' ' GLU . 0.2 OUTLIER -98.54 136.24 38.92 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.448 1.093 . . . . 0.0 109.3 -179.998 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.564 HD13 HD11 ' A' ' 54' ' ' ILE . 42.4 mm -109.05 79.03 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.489 1.118 . . . . 0.0 109.35 179.948 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 5.7 mp -46.63 -66.84 0.34 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.47 1.106 . . . . 0.0 109.276 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 4.7 mtp85 -137.87 179.0 6.69 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.458 1.099 . . . . 0.0 110.343 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 92.9 mt-30 -124.6 107.47 11.05 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.474 1.109 . . . . 0.0 110.324 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 6.4 m -41.96 -57.22 2.5 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.521 1.138 . . . . 0.0 110.379 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . 0.525 ' O ' ' HB2' ' A' ' 40' ' ' ALA . 81.6 p -144.29 -52.48 0.31 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.537 1.148 . . . . 0.0 110.418 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.525 ' HB2' ' O ' ' A' ' 39' ' ' THR . . . 174.28 -35.43 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.547 1.154 . . . . 0.0 109.333 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -87.52 -42.13 12.98 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.555 1.159 . . . . 0.0 109.275 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 93.6 m95 -105.66 125.91 51.53 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.519 1.137 . . . . 0.0 108.027 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 47.2 m0 -114.23 152.64 30.97 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.519 1.137 . . . . 0.0 108.008 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 71.2 t-105 -99.89 105.04 16.73 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.55 1.156 . . . . 0.0 108.006 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . 0.406 ' HA3' ' CD1' ' A' ' 54' ' ' ILE . . . -100.96 -177.5 29.27 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.513 1.133 . . . . 0.0 110.97 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 22.3 tt0 -150.81 120.44 6.98 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.498 0.763 . . . . 0.0 110.326 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . 0.583 ' CG ' HD13 ' A' ' 24' ' ' LEU . 0.2 OUTLIER -92.69 -174.14 3.55 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.51 1.131 . . . . 0.0 110.31 -179.996 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -60.14 103.45 0.23 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.553 1.158 . . . . 0.0 109.289 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 62.91 7.64 17.64 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.472 1.107 . . . . 0.0 110.974 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' CYS . . . . . 0.441 ' C ' ' HG ' ' A' ' 51' ' ' CYS . 1.0 OUTLIER -114.97 160.35 19.67 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 108.328 -0.99 . . . . 0.0 108.328 179.989 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' CYS . . . . . 0.441 ' HG ' ' C ' ' A' ' 50' ' ' CYS . 5.6 m -148.63 113.02 5.28 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.431 1.082 . . . . 0.0 108.313 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -148.23 -177.03 22.21 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.514 1.134 . . . . 0.0 110.955 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 26.6 m-85 -91.13 159.8 15.9 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.485 0.756 . . . . 0.0 111.051 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . 0.564 HD11 HD13 ' A' ' 34' ' ' ILE . 3.3 pt -146.61 147.44 30.37 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.456 1.097 . . . . 0.0 109.331 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . 0.411 ' HD3' ' HA ' ' A' ' 54' ' ' ILE . 18.3 Cg_endo -75.03 164.04 34.07 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.464 1.77 . . . . 0.0 110.977 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -110.62 84.51 1.94 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.528 1.143 . . . . 0.0 109.315 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 2.6 t30 174.91 -38.96 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.521 1.138 . . . . 0.0 109.293 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' HIS . . . . . 0.41 ' O ' ' CG1' ' A' ' 13' ' ' ILE . 1.8 m-70 -70.2 -32.4 70.29 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.502 1.127 . . . . 0.0 109.583 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 19.5 m -104.68 157.57 5.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.518 1.137 . . . . 0.0 109.287 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 41.07 -121.56 2.08 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.435 1.085 . . . . 0.0 111.012 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 10.9 tptt 51.47 68.79 0.74 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.529 0.782 . . . . 0.0 109.288 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER 65.63 81.3 0.21 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.502 1.126 . . . . 0.0 109.565 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 9.5 m -70.41 95.73 1.07 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.46 1.1 . . . . 0.0 109.988 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -77.66 113.96 3.87 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.483 1.114 . . . . 0.0 110.961 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 74.22 4.09 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.49 1.784 . . . . 0.0 110.982 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 48.4 m -140.4 158.36 44.13 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.506 1.129 . . . . 0.0 109.993 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 65.2 m 63.38 144.75 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.524 1.14 . . . . 0.0 110.035 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.962 0 O-C-N 124.511 1.132 . . . . 0.0 111.052 -179.964 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.989 0 N-CA-C 111.002 -0.839 . . . . 0.0 111.002 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -51.36 119.0 3.65 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.539 0.788 . . . . 0.0 110.042 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -138.41 -59.2 0.63 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.454 1.096 . . . . 0.0 110.0 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 146.96 -93.85 0.16 Allowed Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.504 1.127 . . . . 0.0 111.019 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -43.97 112.95 0.45 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.514 0.773 . . . . 0.0 109.984 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 8.1 t -132.13 155.12 48.73 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.441 1.088 . . . . 0.0 109.98 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.466 ' HA3' ' CD1' ' A' ' 33' ' ' LEU . . . 179.94 -163.94 31.42 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.436 1.085 . . . . 0.0 111.009 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -116.48 104.09 11.09 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.526 0.78 . . . . 0.0 110.35 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . 0.437 ' HG2' HD22 ' A' ' 33' ' ' LEU . 0.7 OUTLIER -74.68 123.2 24.46 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.495 1.122 . . . . 0.0 110.296 -179.953 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . 0.405 ' O ' ' N ' ' A' ' 32' ' ' ILE . 7.6 m-85 -132.86 158.12 43.32 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.478 1.111 . . . . 0.0 110.981 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.618 HG22 ' O ' ' A' ' 29' ' ' GLY . 1.6 t -117.29 142.42 31.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.489 1.118 . . . . 0.0 109.318 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -72.28 118.7 15.49 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.518 1.136 . . . . 0.0 109.258 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.413 ' N ' ' O ' ' A' ' 58' ' ' HIS . 1.5 pt -61.9 -14.5 11.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.547 1.154 . . . . 0.0 109.314 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.444 ' HA ' ' CG ' ' A' ' 28' ' ' ARG . . . -166.39 179.75 5.42 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.469 1.105 . . . . 0.0 109.295 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 1.3 p30 -87.0 129.49 34.86 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.456 1.098 . . . . 0.0 109.331 179.936 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . 0.501 ' CG ' ' N ' ' A' ' 17' ' ' ALA . 77.9 t80 -122.13 170.83 9.48 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.481 1.113 . . . . 0.0 111.004 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.501 ' N ' ' CG ' ' A' ' 16' ' ' TYR . . . -139.31 146.63 40.55 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.438 1.086 . . . . 0.0 109.295 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -89.69 121.83 32.23 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.504 1.128 . . . . 0.0 109.31 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 15.2 p -115.75 7.3 14.61 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.487 1.117 . . . . 0.0 110.411 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -123.04 -178.65 4.02 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.548 1.155 . . . . 0.0 109.273 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -103.76 14.99 29.82 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.524 1.14 . . . . 0.0 110.271 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 22.6 p -147.41 38.54 0.95 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.526 1.141 . . . . 0.0 110.405 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 86.0 mt-30 -131.42 164.88 24.75 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.469 1.105 . . . . 0.0 110.326 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.674 HD13 ' CG ' ' A' ' 47' ' ' ARG . 49.7 mt -117.84 142.93 46.76 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.486 1.116 . . . . 0.0 109.326 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 12.2 p -109.54 128.97 55.58 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.52 1.137 . . . . 0.0 109.981 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . 0.464 ' CE1' ' HB3' ' A' ' 16' ' ' TYR . 1.8 p90 -138.69 178.77 6.91 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.532 1.145 . . . . 0.0 110.99 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.606 HD12 ' N ' ' A' ' 28' ' ' ARG . 0.1 OUTLIER -123.21 145.12 48.91 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.484 1.115 . . . . 0.0 109.3 -179.981 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . 0.606 ' N ' HD12 ' A' ' 27' ' ' LEU . 5.2 ttt85 -43.81 107.74 0.09 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.458 1.099 . . . . 0.0 110.324 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . 0.618 ' O ' HG22 ' A' ' 11' ' ' VAL . . . 123.25 -35.98 3.19 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.518 1.136 . . . . 0.0 110.982 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -43.97 132.87 5.24 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.48 0.753 . . . . 0.0 110.307 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.06 103.98 11.24 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.514 1.134 . . . . 0.0 109.315 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.405 ' N ' ' O ' ' A' ' 10' ' ' PHE . 4.3 mm -94.75 128.73 45.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.487 1.117 . . . . 0.0 109.271 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.466 ' CD1' ' HA3' ' A' ' 7' ' ' GLY . 0.2 OUTLIER -90.25 117.91 29.36 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.517 1.136 . . . . 0.0 109.303 179.954 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.581 HD12 HD11 ' A' ' 54' ' ' ILE . 13.3 mm -93.37 105.5 16.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.522 1.139 . . . . 0.0 109.293 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.431 ' N ' HD22 ' A' ' 35' ' ' LEU . 2.5 mm? -79.13 -65.22 1.03 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.459 1.1 . . . . 0.0 109.323 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 7.1 ttt180 -126.81 141.45 51.82 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.486 1.117 . . . . 0.0 110.311 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . 0.44 ' O ' ' N ' ' A' ' 39' ' ' THR . 80.4 mt-30 -79.67 -15.58 57.31 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.448 1.093 . . . . 0.0 110.329 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . 0.82 HG22 HG23 ' A' ' 39' ' ' THR . 72.3 m 63.89 -76.78 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.523 1.139 . . . . 0.0 110.382 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . 0.82 HG23 HG22 ' A' ' 38' ' ' THR . 72.6 p -123.77 -69.56 0.81 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.506 1.128 . . . . 0.0 110.393 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.587 ' HB2' ' O ' ' A' ' 39' ' ' THR . . . 170.4 -33.53 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.461 1.101 . . . . 0.0 109.31 -179.935 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 1.5 t0 -88.54 -28.19 20.93 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.509 1.131 . . . . 0.0 109.256 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' TRP . . . . . 0.402 ' O ' ' O ' ' A' ' 37' ' ' GLN . 88.7 m95 -124.95 128.23 48.27 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.507 1.129 . . . . 0.0 107.981 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' TRP . . . . . 0.405 ' O ' ' N ' ' A' ' 54' ' ' ILE . 46.9 m0 -112.87 156.64 22.58 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 108.007 -1.109 . . . . 0.0 108.007 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' TRP . . . . . 0.433 ' CE3' ' CD2' ' A' ' 53' ' ' TYR . 63.7 t-105 -109.22 117.29 33.74 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.501 1.126 . . . . 0.0 107.983 -179.95 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -115.24 -178.25 18.66 Favored Glycine 0 CA--C 1.529 0.935 0 O-C-N 124.48 1.113 . . . . 0.0 111.034 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.4 ' CB ' HD21 ' A' ' 35' ' ' LEU . 45.5 tt0 -141.16 120.65 13.21 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.46 0.741 . . . . 0.0 110.28 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . 0.674 ' CG ' HD13 ' A' ' 24' ' ' LEU . 0.4 OUTLIER -92.3 -173.69 3.49 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.464 1.102 . . . . 0.0 110.293 179.969 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -62.99 103.03 0.41 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.479 1.112 . . . . 0.0 109.281 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 62.28 8.47 18.61 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.483 1.114 . . . . 0.0 111.041 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 1.1 m -115.03 161.3 18.53 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 108.314 -0.995 . . . . 0.0 108.314 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 12.5 p -148.53 111.59 4.88 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.488 1.117 . . . . 0.0 108.32 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -148.59 -176.9 22.39 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.507 1.129 . . . . 0.0 110.992 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' TYR . . . . . 0.606 ' O ' HG23 ' A' ' 54' ' ' ILE . 4.1 m-85 -91.53 173.96 7.62 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.49 0.759 . . . . 0.0 111.018 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . 0.606 HG23 ' O ' ' A' ' 53' ' ' TYR . 7.4 pt -156.76 148.04 16.79 Favored Pre-proline 0 C--N 1.324 -0.515 0 O-C-N 124.463 1.102 . . . . 0.0 109.324 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . 0.412 ' HD3' ' HA ' ' A' ' 54' ' ' ILE . 18.1 Cg_endo -75.01 155.19 42.87 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.473 1.775 . . . . 0.0 110.97 -179.948 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -99.38 78.32 2.19 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.532 1.145 . . . . 0.0 109.326 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 44.2 t-20 177.38 -41.86 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.505 1.128 . . . . 0.0 109.28 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' HIS . . . . . 0.413 ' O ' ' N ' ' A' ' 13' ' ' ILE . 3.3 m80 -64.23 -19.84 65.64 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.564 1.165 . . . . 0.0 109.614 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 10.0 m -116.97 146.31 21.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.517 1.136 . . . . 0.0 109.29 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -178.68 107.25 0.22 Allowed Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.496 1.123 . . . . 0.0 110.999 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 7.6 tptp -71.61 92.07 1.13 Allowed 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.532 0.784 . . . . 0.0 109.282 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 7.6 m-70 -145.07 84.51 1.71 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.491 1.119 . . . . 0.0 109.593 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 52.44 174.68 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.496 1.122 . . . . 0.0 110.026 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 155.63 -86.52 0.13 Allowed Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.54 1.15 . . . . 0.0 110.972 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 143.24 28.91 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.451 1.763 . . . . 0.0 111.03 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 96.3 p -116.67 71.77 0.8 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.514 1.133 . . . . 0.0 109.965 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 18.1 p -143.96 118.54 9.76 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.513 1.133 . . . . 0.0 110.008 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.015 0 O-C-N 124.492 1.12 . . . . 0.0 110.98 -179.984 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.025 0 N-CA-C 110.958 -0.857 . . . . 0.0 110.958 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -165.0 -57.78 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.532 0.784 . . . . 0.0 110.037 179.939 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 5.3 t -163.56 -59.23 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.492 1.12 . . . . 0.0 109.983 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 131.51 -164.27 23.53 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.506 1.129 . . . . 0.0 110.963 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 60.1 p -82.38 124.72 30.28 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.508 0.769 . . . . 0.0 109.983 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -46.19 -56.37 5.79 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.478 1.112 . . . . 0.0 109.998 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.483 ' HA3' ' CD1' ' A' ' 33' ' ' LEU . . . 163.1 175.37 34.05 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.495 1.122 . . . . 0.0 111.022 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -123.43 107.18 11.31 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.485 0.756 . . . . 0.0 110.3 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . 0.455 ' HG3' ' CD2' ' A' ' 33' ' ' LEU . 0.3 OUTLIER -72.35 122.34 21.01 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.491 1.119 . . . . 0.0 110.279 179.973 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . 0.599 ' CD2' ' O ' ' A' ' 60' ' ' GLY . 5.6 m-85 -128.6 169.94 13.82 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.467 1.104 . . . . 0.0 110.999 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.468 ' CG2' ' HE2' ' A' ' 31' ' ' LYS . 1.9 t -127.2 137.47 57.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.494 1.121 . . . . 0.0 109.295 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . 0.407 ' O ' ' HA ' ' A' ' 28' ' ' ARG . . . -71.09 118.34 13.74 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.5 1.125 . . . . 0.0 109.266 -179.946 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.422 ' CG1' ' O ' ' A' ' 58' ' ' HIS . 2.6 pt -71.27 -12.7 16.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.512 1.132 . . . . 0.0 109.313 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -169.74 145.59 3.08 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.516 1.135 . . . . 0.0 109.303 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 2.5 p-10 -55.63 141.27 38.32 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.542 1.151 . . . . 0.0 109.285 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . 0.402 ' HB2' ' CD2' ' A' ' 58' ' ' HIS . 43.2 t80 -129.94 158.4 39.63 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.472 1.107 . . . . 0.0 111.016 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -132.19 114.5 14.55 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.505 1.128 . . . . 0.0 109.281 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.69 ' HB1' ' HB2' ' A' ' 23' ' ' GLN . . . -53.89 127.22 25.28 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.457 1.098 . . . . 0.0 109.32 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -83.14 -19.34 36.85 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.458 1.099 . . . . 0.0 110.368 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -126.95 178.86 5.71 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.462 1.101 . . . . 0.0 109.34 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 4.8 pt-20 -92.36 15.76 13.19 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.492 1.12 . . . . 0.0 110.302 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 70.5 p -121.81 10.36 10.24 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.506 1.129 . . . . 0.0 110.381 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . 0.69 ' HB2' ' HB1' ' A' ' 18' ' ' ALA . 70.6 mt-30 -111.85 160.92 16.91 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.516 1.135 . . . . 0.0 110.3 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.555 HD13 ' CG ' ' A' ' 47' ' ' ARG . 32.2 mt -104.75 142.41 34.76 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.526 1.141 . . . . 0.0 109.311 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 13.1 p -114.58 133.94 55.43 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.561 1.163 . . . . 0.0 110.021 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . 0.552 ' CB ' HD11 ' A' ' 32' ' ' ILE . 2.9 p90 -144.26 -178.92 6.2 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.526 1.141 . . . . 0.0 110.962 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.581 HD12 ' N ' ' A' ' 28' ' ' ARG . 0.1 OUTLIER -123.66 143.96 49.93 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.494 1.121 . . . . 0.0 109.296 -179.996 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . 0.581 ' N ' HD12 ' A' ' 27' ' ' LEU . 7.6 ttt180 -42.15 114.7 0.58 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.509 1.13 . . . . 0.0 110.266 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 116.54 -32.21 5.64 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.47 1.106 . . . . 0.0 111.009 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -48.97 133.15 18.41 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.48 0.753 . . . . 0.0 110.303 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.468 ' HE2' ' CG2' ' A' ' 11' ' ' VAL . 9.6 mmtp -76.91 98.61 4.95 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.505 1.128 . . . . 0.0 109.28 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.552 HD11 ' CB ' ' A' ' 26' ' ' PHE . 5.8 mm -91.89 130.82 40.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.464 1.103 . . . . 0.0 109.296 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.483 ' CD1' ' HA3' ' A' ' 7' ' ' GLY . 0.2 OUTLIER -92.63 127.34 38.09 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.517 1.136 . . . . 0.0 109.321 -179.998 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.6 ' CD1' HD11 ' A' ' 54' ' ' ILE . 41.9 mm -100.72 80.35 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.448 1.093 . . . . 0.0 109.306 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.46 ' CD2' ' HB2' ' A' ' 46' ' ' GLU . 5.1 mp -48.13 -67.27 0.29 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.523 1.14 . . . . 0.0 109.297 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 7.5 mmm180 -137.28 174.5 10.54 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.454 1.096 . . . . 0.0 110.325 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . 0.407 ' O ' ' C ' ' A' ' 38' ' ' THR . 15.6 mt-30 -128.44 65.79 1.4 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.562 1.164 . . . . 0.0 110.316 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . 0.44 HG22 HG23 ' A' ' 39' ' ' THR . 19.6 m -38.44 -40.03 0.52 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.464 1.102 . . . . 0.0 110.436 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . 0.44 HG23 HG22 ' A' ' 38' ' ' THR . 44.7 p -139.52 -178.41 5.38 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.5 1.125 . . . . 0.0 110.394 179.95 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -98.64 5.1 47.98 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.536 1.148 . . . . 0.0 109.271 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -118.27 -40.17 2.97 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.511 1.132 . . . . 0.0 109.298 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' TRP . . . . . 0.427 ' CH2' ' NE2' ' A' ' 23' ' ' GLN . 93.5 m95 -120.05 126.76 51.57 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.537 1.148 . . . . 0.0 107.962 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 45.9 m0 -110.74 153.79 24.8 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.55 1.156 . . . . 0.0 108.008 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 72.6 t-105 -100.06 105.7 17.38 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.502 1.126 . . . . 0.0 108.01 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -102.83 -165.38 26.04 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.46 1.1 . . . . 0.0 111.009 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.46 ' HB2' ' CD2' ' A' ' 35' ' ' LEU . 19.9 tt0 -162.31 120.71 2.21 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.53 0.782 . . . . 0.0 110.258 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . 0.555 ' CG ' HD13 ' A' ' 24' ' ' LEU . 2.4 mmm180 -92.91 -173.86 3.42 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.484 1.115 . . . . 0.0 110.252 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -60.38 103.5 0.24 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.55 1.156 . . . . 0.0 109.284 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 62.9 7.83 18.7 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.538 1.148 . . . . 0.0 111.055 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' CYS . . . . . 0.439 ' C ' ' HG ' ' A' ' 51' ' ' CYS . 1.2 m -114.86 158.42 21.96 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 108.328 -0.99 . . . . 0.0 108.328 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' CYS . . . . . 0.439 ' HG ' ' C ' ' A' ' 50' ' ' CYS . 4.0 m -148.37 112.8 5.29 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.474 1.109 . . . . 0.0 108.354 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -148.42 -177.95 23.13 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.486 1.116 . . . . 0.0 110.964 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 2.5 m-85 -91.68 143.51 26.47 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.462 0.743 . . . . 0.0 111.016 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . 0.6 HD11 ' CD1' ' A' ' 34' ' ' ILE . 3.5 pt -126.17 150.56 70.07 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.475 1.11 . . . . 0.0 109.321 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . 0.404 ' HD3' ' HA ' ' A' ' 54' ' ' ILE . 18.1 Cg_endo -75.07 165.48 31.12 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.545 1.813 . . . . 0.0 110.943 -179.953 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -113.45 81.01 1.44 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.515 1.134 . . . . 0.0 109.331 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . 0.422 ' O ' HD11 ' A' ' 13' ' ' ILE . 3.1 t30 176.66 -40.45 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.514 1.134 . . . . 0.0 109.326 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' HIS . . . . . 0.422 ' O ' ' CG1' ' A' ' 13' ' ' ILE . 54.2 m80 -68.15 -23.19 64.85 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.506 1.129 . . . . 0.0 109.608 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 13.8 m -114.1 151.99 15.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.529 1.143 . . . . 0.0 109.286 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . 0.599 ' O ' ' CD2' ' A' ' 10' ' ' PHE . . . -158.26 -123.18 0.72 Allowed Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.508 1.13 . . . . 0.0 111.014 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . 0.431 ' N ' ' HD3' ' A' ' 61' ' ' LYS . 0.3 OUTLIER -170.11 140.33 1.95 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.499 0.764 . . . . 0.0 109.267 -179.992 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -168.68 124.6 0.96 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.495 1.122 . . . . 0.0 109.591 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 26.0 t -99.72 144.65 28.55 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.508 1.13 . . . . 0.0 110.007 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -136.93 -175.89 14.05 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.471 1.107 . . . . 0.0 110.984 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 109.12 2.87 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.485 1.782 . . . . 0.0 110.997 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 52.6 p -66.43 164.81 15.53 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.509 1.131 . . . . 0.0 110.038 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 60.5 p -119.24 106.38 12.28 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.511 1.132 . . . . 0.0 110.011 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.022 0 O-C-N 124.507 1.129 . . . . 0.0 110.989 179.975 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.959 0 N-CA-C 110.987 -0.845 . . . . 0.0 110.987 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 179.44 88.1 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.482 0.754 . . . . 0.0 109.981 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 70.4 m -157.3 109.09 2.37 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.495 1.122 . . . . 0.0 110.019 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -166.0 -87.48 0.07 OUTLIER Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.468 1.105 . . . . 0.0 111.038 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 85.6 p -90.6 112.83 24.69 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.469 0.746 . . . . 0.0 110.016 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 7.9 t -93.43 84.46 4.73 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.485 1.116 . . . . 0.0 110.025 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.469 ' HA3' ' CD1' ' A' ' 33' ' ' LEU . . . 134.52 -178.21 18.62 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.486 1.116 . . . . 0.0 111.041 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -114.24 127.42 55.87 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.508 0.769 . . . . 0.0 110.288 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . 0.494 ' HG3' HD22 ' A' ' 33' ' ' LEU . 0.2 OUTLIER -89.47 107.66 19.2 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.521 1.138 . . . . 0.0 110.321 179.99 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 12.0 m-85 -106.88 160.44 15.51 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.508 1.13 . . . . 0.0 111.01 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.603 HG13 ' HA2' ' A' ' 29' ' ' GLY . 2.3 t -115.09 134.6 57.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.52 1.138 . . . . 0.0 109.278 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -71.67 117.93 13.86 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.535 1.147 . . . . 0.0 109.249 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.421 ' N ' ' O ' ' A' ' 58' ' ' HIS . 2.4 pt -60.26 -16.25 11.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.494 1.121 . . . . 0.0 109.259 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -172.57 156.58 3.66 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.469 1.106 . . . . 0.0 109.295 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -61.27 147.9 42.92 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.505 1.128 . . . . 0.0 109.296 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . 0.571 ' CD1' ' NE2' ' A' ' 58' ' ' HIS . 27.5 t80 -133.38 153.25 51.76 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.465 1.103 . . . . 0.0 111.015 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -126.22 109.71 12.62 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.455 1.097 . . . . 0.0 109.309 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.494 ' HB1' ' HB2' ' A' ' 23' ' ' GLN . . . -61.16 124.44 20.55 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.472 1.107 . . . . 0.0 109.261 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 71.7 p -85.45 -22.8 28.12 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.49 1.119 . . . . 0.0 110.429 179.945 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -118.39 -178.04 3.43 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.555 1.159 . . . . 0.0 109.326 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -97.54 16.47 20.26 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.482 1.113 . . . . 0.0 110.297 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 81.0 p -116.82 -5.68 11.53 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 0.0 110.422 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . 0.494 ' HB2' ' HB1' ' A' ' 18' ' ' ALA . 78.0 mt-30 -102.72 154.16 19.44 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.466 1.104 . . . . 0.0 110.31 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.649 HD13 ' CG ' ' A' ' 47' ' ' ARG . 18.2 mt -104.16 137.15 42.51 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.5 1.125 . . . . 0.0 109.292 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 13.1 p -105.12 137.44 42.88 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 0.0 109.98 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . 0.48 ' CB ' HD11 ' A' ' 32' ' ' ILE . 1.4 p90 -147.54 174.24 11.92 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.527 1.142 . . . . 0.0 110.997 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.677 HD12 ' N ' ' A' ' 28' ' ' ARG . 0.1 OUTLIER -114.44 144.16 43.77 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.503 1.127 . . . . 0.0 109.292 -179.986 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . 0.677 ' N ' HD12 ' A' ' 27' ' ' LEU . 6.9 ttp180 -42.32 119.58 1.42 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.452 1.095 . . . . 0.0 110.311 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . 0.603 ' HA2' HG13 ' A' ' 11' ' ' VAL . . . 107.88 -33.64 6.16 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.521 1.138 . . . . 0.0 111.033 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 4.9 mt-10 -42.55 131.36 3.87 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.491 0.759 . . . . 0.0 110.284 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.46 ' HE2' ' CG2' ' A' ' 11' ' ' VAL . 0.0 OUTLIER -78.54 104.29 9.05 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.541 1.151 . . . . 0.0 109.267 -179.988 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.48 HD11 ' CB ' ' A' ' 26' ' ' PHE . 5.0 mm -95.46 134.57 32.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.527 1.142 . . . . 0.0 109.297 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.494 HD22 ' HG3' ' A' ' 9' ' ' GLU . 0.1 OUTLIER -92.43 130.63 38.05 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.484 1.115 . . . . 0.0 109.323 179.963 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.611 ' CD1' HD11 ' A' ' 54' ' ' ILE . 18.2 mm -107.42 96.59 4.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.56 1.163 . . . . 0.0 109.273 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.805 HD21 ' HB3' ' A' ' 46' ' ' GLU . 0.9 OUTLIER -69.31 -65.32 0.73 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.444 1.09 . . . . 0.0 109.299 179.998 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -133.22 -177.54 4.57 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.522 1.139 . . . . 0.0 110.292 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . 0.401 ' O ' ' C ' ' A' ' 38' ' ' THR . 78.4 mt-30 -131.02 105.49 7.77 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.473 1.108 . . . . 0.0 110.306 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . 0.401 ' C ' ' O ' ' A' ' 37' ' ' GLN . 18.9 m -38.59 -66.26 0.29 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.533 1.145 . . . . 0.0 110.43 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . 0.515 ' O ' ' HB2' ' A' ' 40' ' ' ALA . 60.6 p -134.05 -51.82 0.84 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.507 1.129 . . . . 0.0 110.442 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.515 ' HB2' ' O ' ' A' ' 39' ' ' THR . . . 174.69 -35.56 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.454 1.096 . . . . 0.0 109.33 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -90.44 -33.99 15.78 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.543 1.152 . . . . 0.0 109.296 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 97.3 m95 -108.51 123.55 49.07 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 107.949 -1.13 . . . . 0.0 107.949 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 46.4 m0 -114.13 150.86 33.48 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.496 1.122 . . . . 0.0 108.012 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 73.0 t-105 -100.2 105.83 17.46 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.47 1.106 . . . . 0.0 108.041 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . 0.485 ' C ' ' CD2' ' A' ' 35' ' ' LEU . . . -102.44 -165.14 26.41 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.479 1.112 . . . . 0.0 110.943 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.805 ' HB3' HD21 ' A' ' 35' ' ' LEU . 4.4 tt0 -156.95 120.64 4.22 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.472 0.748 . . . . 0.0 110.258 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . 0.649 ' CG ' HD13 ' A' ' 24' ' ' LEU . 0.9 OUTLIER -90.89 -173.11 3.58 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.514 1.133 . . . . 0.0 110.288 179.976 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -60.83 102.3 0.19 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.538 1.149 . . . . 0.0 109.327 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 61.94 9.74 22.46 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.512 1.133 . . . . 0.0 110.956 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 1.3 m -115.02 164.5 14.07 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 108.314 -0.995 . . . . 0.0 108.314 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 7.5 m -148.91 112.28 4.98 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.531 1.145 . . . . 0.0 108.304 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -148.52 -176.84 22.28 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.472 1.107 . . . . 0.0 110.976 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' TYR . . . . . 0.628 ' O ' HG23 ' A' ' 54' ' ' ILE . 30.3 m-85 -87.44 169.68 12.02 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.506 0.768 . . . . 0.0 111.005 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . 0.628 HG23 ' O ' ' A' ' 53' ' ' TYR . 3.6 pt -158.11 147.39 14.84 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.487 1.117 . . . . 0.0 109.314 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . 0.565 ' HG2' ' CD2' ' A' ' 58' ' ' HIS . 18.3 Cg_endo -75.01 162.09 37.66 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.491 1.784 . . . . 0.0 111.009 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -101.47 23.24 11.37 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.498 1.124 . . . . 0.0 109.347 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 53.2 m-80 -122.48 -45.84 2.18 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.508 1.13 . . . . 0.0 109.319 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' HIS . . . . . 0.571 ' NE2' ' CD1' ' A' ' 16' ' ' TYR . 4.4 m-70 -55.25 -26.15 37.97 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.515 1.134 . . . . 0.0 109.567 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 13.8 m -122.73 147.75 26.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.511 1.132 . . . . 0.0 109.348 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 150.6 -169.64 30.47 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.475 1.109 . . . . 0.0 111.046 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -91.2 165.34 13.52 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.522 0.778 . . . . 0.0 109.284 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 12.3 t-80 -111.55 -55.2 2.53 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.485 1.116 . . . . 0.0 109.566 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 50.9 m 62.63 136.52 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.478 1.111 . . . . 0.0 110.035 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 136.25 -145.62 17.55 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.467 1.105 . . . . 0.0 111.009 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 162.09 37.73 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.45 1.763 . . . . 0.0 111.032 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 79.2 p -123.07 156.42 34.93 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.489 1.118 . . . . 0.0 110.013 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 21.5 t -117.49 133.18 56.25 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.47 1.106 . . . . 0.0 110.016 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.034 0 O-C-N 124.512 1.132 . . . . 0.0 110.977 179.961 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.996 0 N-CA-C 110.978 -0.849 . . . . 0.0 110.978 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 51.0 m 65.99 108.75 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.498 0.763 . . . . 0.0 109.999 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 43.6 t -75.53 92.6 2.91 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.464 1.102 . . . . 0.0 109.999 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 117.81 -128.3 7.73 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.506 1.129 . . . . 0.0 111.003 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 17.9 m -69.73 160.18 32.15 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.542 0.79 . . . . 0.0 109.992 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 21.9 p -171.55 128.74 0.67 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.516 1.135 . . . . 0.0 110.024 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.476 ' HA3' ' CD1' ' A' ' 33' ' ' LEU . . . 118.59 168.6 14.27 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.493 1.121 . . . . 0.0 111.041 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -122.19 105.86 10.62 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.476 0.751 . . . . 0.0 110.314 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . 0.456 ' HG2' HD22 ' A' ' 33' ' ' LEU . 0.4 OUTLIER -69.05 122.57 18.98 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.471 1.107 . . . . 0.0 110.34 179.949 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 6.3 m-85 -132.51 165.37 24.49 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.471 1.107 . . . . 0.0 110.971 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.696 HG13 ' HA2' ' A' ' 29' ' ' GLY . 2.3 t -121.32 137.25 55.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.508 1.13 . . . . 0.0 109.304 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -71.07 117.92 13.19 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.544 1.153 . . . . 0.0 109.302 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.431 ' N ' ' O ' ' A' ' 58' ' ' HIS . 2.5 pt -61.17 -21.1 23.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 0.0 109.289 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -165.96 150.66 8.3 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.526 1.142 . . . . 0.0 109.3 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -56.18 146.72 22.47 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.54 1.15 . . . . 0.0 109.288 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . 0.444 ' OH ' ' NE2' ' A' ' 23' ' ' GLN . 27.1 t80 -133.86 155.76 49.28 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.518 1.136 . . . . 0.0 110.953 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -129.54 110.54 11.93 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.507 1.129 . . . . 0.0 109.288 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.45 ' HB1' ' HB2' ' A' ' 23' ' ' GLN . . . -52.97 120.26 5.63 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.537 1.148 . . . . 0.0 109.353 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -79.36 -22.41 44.45 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.468 1.105 . . . . 0.0 110.412 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -122.22 -178.57 3.91 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.508 1.13 . . . . 0.0 109.32 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 2.1 pt-20 -97.54 18.0 16.42 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.537 1.148 . . . . 0.0 110.301 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 66.9 p -127.34 34.79 4.65 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.49 1.119 . . . . 0.0 110.387 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . 0.45 ' HB2' ' HB1' ' A' ' 18' ' ' ALA . 59.6 mt-30 -137.83 166.93 22.81 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.544 1.153 . . . . 0.0 110.233 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.634 HD13 ' CG ' ' A' ' 47' ' ' ARG . 14.0 mt -106.93 132.58 52.72 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.454 1.096 . . . . 0.0 109.303 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 12.5 p -104.7 129.1 52.94 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.531 1.144 . . . . 0.0 109.998 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . 0.67 ' CB ' HD11 ' A' ' 32' ' ' ILE . 3.2 p90 -139.69 -179.0 5.67 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.5 1.125 . . . . 0.0 111.033 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.684 HD12 ' N ' ' A' ' 28' ' ' ARG . 0.1 OUTLIER -125.21 144.26 50.54 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.495 1.122 . . . . 0.0 109.3 -179.989 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . 0.684 ' N ' HD12 ' A' ' 27' ' ' LEU . 3.5 ttp85 -38.76 118.4 0.75 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.504 1.127 . . . . 0.0 110.312 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . 0.696 ' HA2' HG13 ' A' ' 11' ' ' VAL . . . 107.7 -37.93 3.58 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.536 1.148 . . . . 0.0 110.953 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 4.6 mt-10 -38.67 129.64 1.45 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.494 0.761 . . . . 0.0 110.316 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.461 ' HE2' ' CG2' ' A' ' 11' ' ' VAL . 26.0 mmtt -75.98 102.62 5.69 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.52 1.137 . . . . 0.0 109.297 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.67 HD11 ' CB ' ' A' ' 26' ' ' PHE . 5.2 mm -94.98 127.16 47.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.557 1.161 . . . . 0.0 109.31 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.476 ' CD1' ' HA3' ' A' ' 7' ' ' GLY . 0.1 OUTLIER -88.59 117.87 27.85 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.467 1.105 . . . . 0.0 109.315 -179.99 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.654 ' CD1' HD11 ' A' ' 54' ' ' ILE . 43.0 mm -92.06 83.01 1.87 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.491 1.119 . . . . 0.0 109.309 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.46 ' CD2' ' HB2' ' A' ' 46' ' ' GLU . 5.5 mp -49.44 -68.61 0.16 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.546 1.154 . . . . 0.0 109.265 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 26.5 mtt180 -135.45 173.47 11.68 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.522 1.139 . . . . 0.0 110.314 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . 0.408 ' HG2' ' CE2' ' A' ' 43' ' ' TRP . 5.4 mp0 -131.36 68.42 1.49 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.522 1.139 . . . . 0.0 110.251 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . 0.4 ' C ' ' O ' ' A' ' 37' ' ' GLN . 82.6 p -38.32 -44.5 0.9 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.5 1.125 . . . . 0.0 110.396 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 29.7 p -131.93 -177.69 4.55 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.533 1.146 . . . . 0.0 110.394 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -97.97 6.52 47.59 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.488 1.117 . . . . 0.0 109.267 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 7.5 m-20 -121.38 -42.06 2.47 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.451 1.094 . . . . 0.0 109.313 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 90.2 m95 -112.17 127.27 55.89 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 108.003 -1.11 . . . . 0.0 108.003 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' TRP . . . . . 0.408 ' CE2' ' HG2' ' A' ' 37' ' ' GLN . 45.0 m0 -113.98 151.86 31.74 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.532 1.145 . . . . 0.0 107.999 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 72.6 t-105 -99.91 104.79 16.45 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.499 1.124 . . . . 0.0 108.049 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -104.06 175.37 22.99 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.522 1.139 . . . . 0.0 110.955 -179.927 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.46 ' HB2' ' CD2' ' A' ' 35' ' ' LEU . 21.5 tt0 -146.67 120.78 9.46 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.525 0.78 . . . . 0.0 110.332 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . 0.634 ' CG ' HD13 ' A' ' 24' ' ' LEU . 0.0 OUTLIER -94.59 -175.35 3.58 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.541 1.15 . . . . 0.0 110.302 -179.996 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -57.96 103.25 0.13 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.458 1.099 . . . . 0.0 109.29 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 62.56 8.73 21.59 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.529 1.143 . . . . 0.0 111.005 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' CYS . . . . . 0.482 ' C ' ' HG ' ' A' ' 51' ' ' CYS . 1.2 m -114.71 155.0 27.46 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 108.293 -1.003 . . . . 0.0 108.293 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' CYS . . . . . 0.482 ' HG ' ' C ' ' A' ' 50' ' ' CYS . 3.7 m -148.24 111.95 5.07 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.499 1.124 . . . . 0.0 108.27 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -148.76 -176.91 22.53 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.488 1.117 . . . . 0.0 111.029 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 1.2 m-85 -94.15 143.99 25.89 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.539 0.787 . . . . 0.0 110.99 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . 0.654 HD11 ' CD1' ' A' ' 34' ' ' ILE . 4.7 pt -128.76 149.99 73.67 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.465 1.103 . . . . 0.0 109.29 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . 0.402 ' HD3' ' HA ' ' A' ' 54' ' ' ILE . 18.2 Cg_endo -75.01 166.64 28.78 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.5 1.79 . . . . 0.0 111.008 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -109.75 81.9 1.51 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.504 1.128 . . . . 0.0 109.328 180.0 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 27.6 t30 175.42 -41.48 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.453 1.096 . . . . 0.0 109.29 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' HIS . . . . . 0.431 ' O ' ' N ' ' A' ' 13' ' ' ILE . 12.5 m-70 -65.01 -22.68 67.03 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.527 1.142 . . . . 0.0 109.577 -179.922 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 14.5 m -112.97 147.47 16.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.541 1.151 . . . . 0.0 109.317 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 148.61 156.36 7.08 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.512 1.132 . . . . 0.0 111.024 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . 0.492 ' CD ' ' O ' ' A' ' 61' ' ' LYS . 0.0 OUTLIER -43.03 144.32 0.63 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.523 0.778 . . . . 0.0 109.333 -179.998 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 23.0 p80 -81.78 143.26 31.92 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.527 1.142 . . . . 0.0 109.614 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 3.2 m -127.23 149.4 50.01 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.47 1.106 . . . . 0.0 110.009 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -167.53 179.95 40.69 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.452 1.095 . . . . 0.0 110.99 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 150.18 37.68 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.479 1.778 . . . . 0.0 111.01 180.0 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 69.28 101.1 0.06 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.508 1.13 . . . . 0.0 110.021 -179.94 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 3.2 m 63.38 120.38 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.518 1.136 . . . . 0.0 109.995 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.976 0 O-C-N 124.476 1.11 . . . . 0.0 111.022 -179.994 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.982 0 N-CA-C 111.006 -0.837 . . . . 0.0 111.006 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -87.78 126.24 34.89 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.523 0.778 . . . . 0.0 110.016 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 15.0 m 62.77 80.1 0.24 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.547 1.155 . . . . 0.0 110.01 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 123.0 137.83 5.14 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.492 1.12 . . . . 0.0 111.008 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.3 m 64.46 96.66 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.512 0.772 . . . . 0.0 110.014 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 23.3 t -175.94 109.75 0.1 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.529 1.143 . . . . 0.0 110.03 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.465 ' HA3' ' CD1' ' A' ' 33' ' ' LEU . . . 106.99 -175.74 20.81 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.529 1.143 . . . . 0.0 110.973 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 23.3 mt-10 -114.02 127.65 56.04 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.482 0.754 . . . . 0.0 110.28 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . 0.464 ' HG3' HD22 ' A' ' 33' ' ' LEU . 0.4 OUTLIER -87.66 109.35 19.61 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.477 1.111 . . . . 0.0 110.34 179.972 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . 0.477 ' CD2' ' O ' ' A' ' 60' ' ' GLY . 13.8 m-85 -110.7 161.18 16.01 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.506 1.129 . . . . 0.0 110.971 -179.95 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.538 HG13 ' HA2' ' A' ' 29' ' ' GLY . 2.3 t -119.49 136.49 56.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.471 1.107 . . . . 0.0 109.275 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -72.82 117.87 15.07 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.464 1.103 . . . . 0.0 109.29 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.44 ' N ' ' O ' ' A' ' 58' ' ' HIS . 3.1 pt -61.17 -15.71 12.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.523 1.139 . . . . 0.0 109.276 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -170.13 152.18 4.16 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.514 1.134 . . . . 0.0 109.288 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -55.8 148.25 17.15 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.512 1.133 . . . . 0.0 109.273 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . 0.448 ' HB3' ' CE1' ' A' ' 26' ' ' PHE . 26.7 t80 -130.17 161.62 30.71 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.493 1.121 . . . . 0.0 111.07 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.404 ' N ' ' CG ' ' A' ' 16' ' ' TYR . . . -135.76 107.65 7.1 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.532 1.145 . . . . 0.0 109.294 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.472 ' HB1' ' HB2' ' A' ' 23' ' ' GLN . . . -52.93 119.04 4.18 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.532 1.145 . . . . 0.0 109.304 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -78.01 -26.47 48.52 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.509 1.131 . . . . 0.0 110.407 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 1.3 t0 -118.32 -175.82 2.94 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.574 1.172 . . . . 0.0 109.302 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -100.22 17.97 19.95 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.527 1.142 . . . . 0.0 110.342 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 75.6 p -123.14 7.47 9.17 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.485 1.115 . . . . 0.0 110.389 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . 0.472 ' HB2' ' HB1' ' A' ' 18' ' ' ALA . 64.8 mt-30 -108.26 166.83 10.46 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.476 1.11 . . . . 0.0 110.289 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.699 HD13 ' HG2' ' A' ' 47' ' ' ARG . 14.5 mt -111.74 126.94 55.59 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.531 1.144 . . . . 0.0 109.322 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 56.5 p -97.72 137.78 36.09 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.515 1.134 . . . . 0.0 110.023 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . 0.45 ' CB ' HD11 ' A' ' 32' ' ' ILE . 1.5 p90 -147.5 173.19 12.9 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.548 1.155 . . . . 0.0 111.032 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.595 HD12 ' N ' ' A' ' 28' ' ' ARG . 0.1 OUTLIER -116.75 143.3 45.83 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.5 1.125 . . . . 0.0 109.25 -179.95 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . 0.595 ' N ' HD12 ' A' ' 27' ' ' LEU . 4.1 ttp180 -40.1 120.12 1.13 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.464 1.103 . . . . 0.0 110.313 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . 0.538 ' HA2' HG13 ' A' ' 11' ' ' VAL . . . 107.51 -31.65 7.87 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.465 1.103 . . . . 0.0 110.999 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 4.4 mt-10 -43.94 128.24 5.57 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.516 0.774 . . . . 0.0 110.283 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 10.2 mmtp -76.6 99.11 4.89 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.539 1.149 . . . . 0.0 109.352 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.45 HD11 ' CB ' ' A' ' 26' ' ' PHE . 5.4 mm -90.65 146.22 6.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.461 1.101 . . . . 0.0 109.33 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.465 ' CD1' ' HA3' ' A' ' 7' ' ' GLY . 0.1 OUTLIER -108.36 127.07 53.56 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.473 1.108 . . . . 0.0 109.35 179.944 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.538 ' CD1' ' CD1' ' A' ' 54' ' ' ILE . 22.3 mm -103.31 104.67 16.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.517 1.136 . . . . 0.0 109.297 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.432 HD21 ' CB ' ' A' ' 46' ' ' GLU . 2.7 mm? -76.6 -66.63 0.79 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.547 1.154 . . . . 0.0 109.336 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 3.7 mtt-85 -127.24 166.38 17.87 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.515 1.134 . . . . 0.0 110.293 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . 0.438 ' O ' ' N ' ' A' ' 39' ' ' THR . 56.2 mt-30 -102.36 -31.65 10.39 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.457 1.098 . . . . 0.0 110.321 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 26.5 m 66.31 -70.52 0.1 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.508 1.13 . . . . 0.0 110.427 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . 0.48 ' O ' ' HB2' ' A' ' 40' ' ' ALA . 2.4 p -115.56 -80.58 0.6 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.449 1.093 . . . . 0.0 110.365 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.48 ' HB2' ' O ' ' A' ' 39' ' ' THR . . . 176.55 -45.57 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.505 1.128 . . . . 0.0 109.291 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -80.89 -32.27 34.91 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.516 1.135 . . . . 0.0 109.305 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' TRP . . . . . 0.407 ' O ' ' O ' ' A' ' 37' ' ' GLN . 88.2 m95 -112.68 123.36 50.12 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.479 1.112 . . . . 0.0 108.019 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' TRP . . . . . 0.428 ' NE1' ' O ' ' A' ' 40' ' ' ALA . 47.4 m0 -113.05 161.71 16.75 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.503 1.127 . . . . 0.0 108.024 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 67.0 t-105 -111.67 114.52 27.59 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 107.955 -1.128 . . . . 0.0 107.955 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -111.06 -169.81 19.12 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.515 1.134 . . . . 0.0 111.027 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.432 ' CB ' HD21 ' A' ' 35' ' ' LEU . 43.2 tt0 -150.25 120.76 7.42 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.502 0.766 . . . . 0.0 110.351 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . 0.699 ' HG2' HD13 ' A' ' 24' ' ' LEU . 0.0 OUTLIER -92.36 -172.89 3.24 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.496 1.123 . . . . 0.0 110.326 179.998 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -63.15 102.79 0.41 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.451 1.094 . . . . 0.0 109.337 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 62.54 8.4 19.79 Favored Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.516 1.135 . . . . 0.0 111.03 -179.932 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 1.3 m -115.06 161.78 17.89 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 108.307 -0.998 . . . . 0.0 108.307 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 11.8 p -148.69 112.22 5.03 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.435 1.084 . . . . 0.0 108.288 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -148.47 -176.89 22.28 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.496 1.122 . . . . 0.0 111.039 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 14.5 m-85 -91.14 160.51 15.53 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.518 0.775 . . . . 0.0 110.999 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . 0.538 ' CD1' ' CD1' ' A' ' 34' ' ' ILE . 4.8 pt -143.55 146.63 36.24 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 0.0 109.302 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . 0.411 ' HD3' ' HA ' ' A' ' 54' ' ' ILE . 18.2 Cg_endo -74.98 164.26 33.72 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.481 1.78 . . . . 0.0 111.011 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -110.59 82.47 1.6 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.514 1.134 . . . . 0.0 109.29 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 47.5 t30 177.14 -39.31 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.491 1.119 . . . . 0.0 109.323 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' HIS . . . . . 0.44 ' O ' ' N ' ' A' ' 13' ' ' ILE . 9.9 m-70 -67.69 -26.06 65.99 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.504 1.127 . . . . 0.0 109.584 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 11.2 m -110.28 144.59 18.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.504 1.128 . . . . 0.0 109.307 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . 0.477 ' O ' ' CD2' ' A' ' 10' ' ' PHE . . . -141.22 -92.89 0.2 Allowed Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.512 1.132 . . . . 0.0 110.99 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 4.2 tttt 62.93 98.43 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.495 0.762 . . . . 0.0 109.295 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 6.5 p-80 -160.87 153.79 21.2 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.498 1.123 . . . . 0.0 109.61 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -43.21 147.99 0.32 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.454 1.097 . . . . 0.0 110.022 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -162.26 159.61 31.76 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.526 1.142 . . . . 0.0 110.999 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.94 135.65 19.47 Favored 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.468 1.773 . . . . 0.0 111.031 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 17.8 t -137.29 156.57 48.11 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.441 1.088 . . . . 0.0 110.049 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 69.3 m -112.88 156.04 23.64 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.551 1.157 . . . . 0.0 110.011 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.032 0 O-C-N 124.487 1.117 . . . . 0.0 110.945 -179.98 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.011 0 N-CA-C 110.978 -0.849 . . . . 0.0 110.978 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 26.4 m -132.97 165.82 23.83 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.5 0.765 . . . . 0.0 109.999 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.7 t -111.45 140.23 46.22 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.518 1.136 . . . . 0.0 110.017 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -175.87 156.16 21.06 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.452 1.095 . . . . 0.0 111.04 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -132.91 -62.27 0.81 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.464 0.744 . . . . 0.0 110.01 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 60.0 p -143.88 157.57 44.27 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.493 1.121 . . . . 0.0 109.985 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.475 ' HA3' ' CD1' ' A' ' 33' ' ' LEU . . . 134.72 -173.02 21.7 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.521 1.138 . . . . 0.0 111.019 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 -122.85 117.43 25.61 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.515 0.773 . . . . 0.0 110.328 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . 0.464 ' HG3' ' CD2' ' A' ' 33' ' ' LEU . 0.1 OUTLIER -76.84 108.19 9.69 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.513 1.133 . . . . 0.0 110.297 -179.997 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 10.3 m-85 -112.1 162.06 15.83 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.532 1.145 . . . . 0.0 111.033 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.488 HG13 ' HA2' ' A' ' 29' ' ' GLY . 2.4 t -122.53 138.14 53.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.523 1.139 . . . . 0.0 109.311 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -70.96 117.92 13.07 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.486 1.116 . . . . 0.0 109.33 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 3.0 pt -67.29 -14.14 17.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.472 1.108 . . . . 0.0 109.311 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -165.82 145.95 6.55 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.49 1.119 . . . . 0.0 109.314 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . 0.439 ' N ' ' OD1' ' A' ' 15' ' ' ASP . 0.1 OUTLIER -64.49 136.69 57.31 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.512 1.132 . . . . 0.0 109.296 -179.981 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 33.0 t80 -124.44 158.55 32.54 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.514 1.134 . . . . 0.0 111.023 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.553 ' O ' HG23 ' A' ' 19' ' ' THR . . . -125.11 112.8 16.92 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.515 1.135 . . . . 0.0 109.273 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -54.72 114.56 1.75 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.493 1.121 . . . . 0.0 109.337 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . 0.553 HG23 ' O ' ' A' ' 17' ' ' ALA . 16.3 p -102.48 5.19 39.38 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.128 . . . . 0.0 110.39 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 3.0 t0 -127.73 178.75 5.93 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.515 1.134 . . . . 0.0 109.265 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.419 ' HG2' HG23 ' A' ' 22' ' ' THR . 0.3 OUTLIER -100.77 5.75 43.67 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.503 1.127 . . . . 0.0 110.317 179.954 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . 0.419 HG23 ' HG2' ' A' ' 21' ' ' GLU . 52.8 p -133.83 49.07 2.3 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.458 1.099 . . . . 0.0 110.423 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 91.2 mt-30 -145.1 167.27 23.13 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.49 1.119 . . . . 0.0 110.273 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.814 HD13 ' CG ' ' A' ' 47' ' ' ARG . 16.1 mt -114.77 144.48 43.41 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.438 1.087 . . . . 0.0 109.268 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 12.9 p -112.27 129.13 56.38 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.489 1.118 . . . . 0.0 110.011 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . 0.473 ' CB ' HD11 ' A' ' 32' ' ' ILE . 2.5 p90 -139.47 179.7 6.39 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.486 1.116 . . . . 0.0 111.041 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.674 HD12 ' N ' ' A' ' 28' ' ' ARG . 0.1 OUTLIER -124.15 144.96 49.6 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.516 1.135 . . . . 0.0 109.312 179.981 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . 0.674 ' N ' HD12 ' A' ' 27' ' ' LEU . 3.5 ttt180 -43.65 113.17 0.47 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.514 1.134 . . . . 0.0 110.315 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . 0.488 ' HA2' HG13 ' A' ' 11' ' ' VAL . . . 115.39 -29.11 7.48 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.525 1.14 . . . . 0.0 110.965 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -49.51 130.52 20.37 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.512 0.772 . . . . 0.0 110.295 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 9.3 mmtt -76.48 101.88 5.79 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.503 1.127 . . . . 0.0 109.328 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.473 HD11 ' CB ' ' A' ' 26' ' ' PHE . 5.2 mm -93.25 140.36 16.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.504 1.128 . . . . 0.0 109.286 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.475 ' CD1' ' HA3' ' A' ' 7' ' ' GLY . 0.2 OUTLIER -105.33 121.54 44.09 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.464 1.102 . . . . 0.0 109.287 179.984 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.595 ' CD1' HD11 ' A' ' 54' ' ' ILE . 36.6 mm -98.24 105.5 17.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.421 1.076 . . . . 0.0 109.294 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.433 HD21 ' CB ' ' A' ' 46' ' ' GLU . 2.8 mm? -75.46 -68.42 0.56 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.486 1.116 . . . . 0.0 109.312 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 4.0 mmt180 -123.64 167.23 14.23 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.524 1.14 . . . . 0.0 110.303 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . 0.437 ' O ' ' N ' ' A' ' 39' ' ' THR . 87.8 mt-30 -99.96 -30.12 12.18 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.463 1.102 . . . . 0.0 110.312 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 4.9 m 67.64 -67.53 0.18 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.517 1.136 . . . . 0.0 110.364 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . 0.453 ' O ' ' HB2' ' A' ' 40' ' ' ALA . 27.5 p -124.8 -79.62 0.61 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.538 1.149 . . . . 0.0 110.387 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.453 ' HB2' ' O ' ' A' ' 39' ' ' THR . . . 178.18 -37.16 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.431 1.082 . . . . 0.0 109.342 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . 0.434 ' O ' ' N ' ' A' ' 56' ' ' ALA . 9.3 m-20 -89.05 -37.39 15.17 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.531 1.145 . . . . 0.0 109.301 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 94.8 m95 -108.28 123.12 48.31 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.527 1.142 . . . . 0.0 107.998 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 44.5 m0 -112.93 161.93 16.43 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 107.988 -1.116 . . . . 0.0 107.988 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' TRP . . . . . 0.428 ' CZ3' ' CD2' ' A' ' 53' ' ' TYR . 68.2 t-105 -111.94 115.7 29.4 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.47 1.106 . . . . 0.0 108.025 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -112.47 -172.21 18.71 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.494 1.121 . . . . 0.0 110.954 -179.928 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.433 ' CB ' HD21 ' A' ' 35' ' ' LEU . 46.2 tt0 -148.35 120.6 8.37 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.488 0.758 . . . . 0.0 110.331 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . 0.814 ' CG ' HD13 ' A' ' 24' ' ' LEU . 4.3 mmm180 -92.59 -174.11 3.56 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.437 1.086 . . . . 0.0 110.343 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -62.07 103.04 0.33 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.513 1.133 . . . . 0.0 109.315 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 62.59 8.36 19.86 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.537 1.148 . . . . 0.0 110.988 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 1.2 m -114.85 162.18 17.24 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 108.306 -0.998 . . . . 0.0 108.306 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 12.8 p -148.51 111.8 4.95 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.534 1.146 . . . . 0.0 108.315 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -148.59 -176.86 22.35 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.499 1.125 . . . . 0.0 110.987 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' TYR . . . . . 0.621 ' O ' HG23 ' A' ' 54' ' ' ILE . 26.8 m-85 -90.93 174.07 7.63 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.506 0.768 . . . . 0.0 111.008 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . 0.621 HG23 ' O ' ' A' ' 53' ' ' TYR . 3.7 pt -158.14 146.18 13.91 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.475 1.109 . . . . 0.0 109.321 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . 0.411 ' HD3' ' HA ' ' A' ' 54' ' ' ILE . 18.0 Cg_endo -75.05 159.71 40.86 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.507 1.793 . . . . 0.0 110.995 -179.955 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . 0.434 ' N ' ' O ' ' A' ' 41' ' ' ASP . . . -103.44 81.47 1.93 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.512 1.133 . . . . 0.0 109.261 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 40.4 t-20 178.01 -45.3 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.537 1.148 . . . . 0.0 109.273 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 1.8 m-70 -61.66 -27.46 68.69 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.526 1.141 . . . . 0.0 109.625 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 18.1 m -110.14 153.9 11.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.516 1.135 . . . . 0.0 109.32 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 172.86 -152.5 16.39 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.44 1.088 . . . . 0.0 111.025 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 6.5 mmtp -100.05 133.03 45.03 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.503 0.767 . . . . 0.0 109.32 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 27.6 t60 -96.58 88.81 4.78 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.452 1.095 . . . . 0.0 109.616 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 25.9 t -105.11 123.44 47.82 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.489 1.118 . . . . 0.0 109.999 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -63.23 146.46 50.41 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.48 1.113 . . . . 0.0 110.996 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 141.87 27.11 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.498 1.788 . . . . 0.0 111.002 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . 0.432 ' O ' ' N ' ' A' ' 68' ' ' GLY . 3.9 m 58.76 113.63 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.519 1.137 . . . . 0.0 110.047 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 13.3 m 58.53 -86.53 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.446 1.091 . . . . 0.0 109.984 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . 0.432 ' N ' ' O ' ' A' ' 66' ' ' SER . . . . . . . . 0 CA--C 1.53 0.988 0 O-C-N 124.545 1.153 . . . . 0.0 111.02 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.98 0 N-CA-C 110.999 -0.841 . . . . 0.0 110.999 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -124.71 82.37 2.04 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.473 0.749 . . . . 0.0 110.026 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -53.96 -59.01 5.19 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.512 1.132 . . . . 0.0 109.997 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -172.34 58.66 0.16 Allowed Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.475 1.109 . . . . 0.0 111.009 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.4 m 52.08 99.82 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.513 0.772 . . . . 0.0 109.985 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 68.1 m -45.09 -61.49 1.61 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.535 1.147 . . . . 0.0 110.012 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.471 ' HA3' ' CD1' ' A' ' 33' ' ' LEU . . . 147.5 -166.18 28.68 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.559 1.162 . . . . 0.0 110.991 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 7.0 mt-10 -124.45 117.21 23.9 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.527 0.781 . . . . 0.0 110.327 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . 0.457 ' HG2' HD22 ' A' ' 33' ' ' LEU . 0.5 OUTLIER -80.67 115.02 19.96 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.517 1.136 . . . . 0.0 110.284 -179.979 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 6.3 m-85 -119.04 159.35 24.07 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.451 1.094 . . . . 0.0 110.978 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.601 HG13 ' HA2' ' A' ' 29' ' ' GLY . 2.2 t -116.63 133.85 61.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.452 1.095 . . . . 0.0 109.296 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -70.97 117.73 12.84 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.459 1.1 . . . . 0.0 109.292 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 2.8 pt -61.38 -16.27 14.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.494 1.121 . . . . 0.0 109.289 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -167.83 158.51 10.87 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.533 1.146 . . . . 0.0 109.321 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 7.7 p-10 -63.39 140.2 58.85 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.544 1.153 . . . . 0.0 109.3 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . 0.538 ' HB3' ' CE1' ' A' ' 26' ' ' PHE . 26.4 t80 -130.73 149.78 52.22 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.513 1.133 . . . . 0.0 110.994 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -127.5 116.9 21.11 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.505 1.128 . . . . 0.0 109.256 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.592 ' HB1' ' HB2' ' A' ' 23' ' ' GLN . . . -53.53 124.48 15.06 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.476 1.11 . . . . 0.0 109.3 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -82.92 -25.95 31.92 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.53 1.144 . . . . 0.0 110.382 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -122.16 -179.47 4.18 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.511 1.132 . . . . 0.0 109.293 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -90.84 16.86 8.57 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.485 1.116 . . . . 0.0 110.31 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 79.6 p -125.86 28.64 6.1 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.516 1.135 . . . . 0.0 110.394 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . 0.592 ' HB2' ' HB1' ' A' ' 18' ' ' ALA . 63.7 mt-30 -135.51 164.05 28.68 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.47 1.106 . . . . 0.0 110.303 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.708 HD13 ' CG ' ' A' ' 47' ' ' ARG . 16.8 mt -110.58 139.01 46.24 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.467 1.105 . . . . 0.0 109.287 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -108.77 128.81 55.21 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.485 1.116 . . . . 0.0 109.993 -179.953 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . 0.538 ' CE1' ' HB3' ' A' ' 16' ' ' TYR . 2.6 p90 -137.66 179.91 6.14 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.465 1.103 . . . . 0.0 111.018 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.606 HD12 ' N ' ' A' ' 28' ' ' ARG . 0.1 OUTLIER -120.98 142.78 49.46 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.549 1.156 . . . . 0.0 109.264 -179.995 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . 0.606 ' N ' HD12 ' A' ' 27' ' ' LEU . 6.3 ttp180 -39.03 118.73 0.81 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.487 1.117 . . . . 0.0 110.297 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . 0.601 ' HA2' HG13 ' A' ' 11' ' ' VAL . . . 108.34 -34.97 5.26 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.542 1.151 . . . . 0.0 110.984 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 -38.85 134.45 0.98 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.524 0.779 . . . . 0.0 110.277 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 7.1 mmtt -79.92 102.42 9.17 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.507 1.13 . . . . 0.0 109.279 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.514 HD11 ' CB ' ' A' ' 26' ' ' PHE . 4.4 mm -94.09 135.82 27.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.461 1.1 . . . . 0.0 109.294 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.471 ' CD1' ' HA3' ' A' ' 7' ' ' GLY . 0.1 OUTLIER -102.39 117.84 35.6 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.499 1.124 . . . . 0.0 109.263 -179.958 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.489 ' CD1' HD11 ' A' ' 54' ' ' ILE . 15.7 mm -92.31 108.07 19.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.465 1.103 . . . . 0.0 109.289 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.437 ' N ' HD22 ' A' ' 35' ' ' LEU . 2.6 mm? -78.69 -68.05 0.69 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.546 1.154 . . . . 0.0 109.297 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 28.0 mtt-85 -122.41 173.17 7.82 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.531 1.145 . . . . 0.0 110.286 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . 0.426 ' O ' ' N ' ' A' ' 39' ' ' THR . 55.8 mt-30 -104.75 -30.25 10.03 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.488 1.118 . . . . 0.0 110.312 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 7.8 m 67.41 -68.32 0.16 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.475 1.11 . . . . 0.0 110.37 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . 0.54 ' O ' ' HB2' ' A' ' 40' ' ' ALA . 33.5 p -126.12 -74.87 0.59 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.508 1.13 . . . . 0.0 110.428 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.54 ' HB2' ' O ' ' A' ' 39' ' ' THR . . . 173.09 -34.78 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.434 1.084 . . . . 0.0 109.295 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -90.82 -34.52 15.26 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.518 1.136 . . . . 0.0 109.257 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' TRP . . . . . 0.4 ' O ' ' O ' ' A' ' 37' ' ' GLN . 95.6 m95 -111.94 122.95 49.17 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 107.98 -1.118 . . . . 0.0 107.98 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 44.8 m0 -113.71 157.16 22.55 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.548 1.155 . . . . 0.0 107.957 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' TRP . . . . . 0.406 ' CE3' ' CD2' ' A' ' 53' ' ' TYR . 68.2 t-105 -106.36 116.57 32.15 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 107.99 -1.115 . . . . 0.0 107.99 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -113.85 -176.49 19.2 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.468 1.105 . . . . 0.0 110.986 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.417 ' CB ' HD21 ' A' ' 35' ' ' LEU . 31.1 tt0 -147.97 120.88 8.74 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.52 0.776 . . . . 0.0 110.306 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . 0.708 ' CG ' HD13 ' A' ' 24' ' ' LEU . 0.0 OUTLIER -95.72 -175.18 3.36 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.555 1.159 . . . . 0.0 110.291 -179.973 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -58.26 103.09 0.13 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.466 1.103 . . . . 0.0 109.297 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 62.13 8.83 19.2 Favored Glycine 0 CA--C 1.529 0.945 0 O-C-N 124.486 1.117 . . . . 0.0 110.995 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 1.2 m -114.76 157.25 23.47 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 108.284 -1.006 . . . . 0.0 108.284 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 17.6 p -148.25 110.63 4.66 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.445 1.091 . . . . 0.0 108.268 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -148.95 -176.9 22.66 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.501 1.125 . . . . 0.0 111.032 179.93 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' TYR . . . . . 0.55 ' O ' HG23 ' A' ' 54' ' ' ILE . 23.2 m-85 -90.67 171.8 9.11 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.51 0.77 . . . . 0.0 110.92 -179.944 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . 0.55 HG23 ' O ' ' A' ' 53' ' ' TYR . 3.1 pt -156.28 149.4 18.52 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.507 1.13 . . . . 0.0 109.348 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 168.91 23.78 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.479 1.779 . . . . 0.0 111.002 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -112.77 85.49 2.18 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.506 1.129 . . . . 0.0 109.305 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER 167.41 -35.93 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.524 1.14 . . . . 0.0 109.333 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 5.0 m80 -70.63 -16.67 62.85 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.523 1.139 . . . . 0.0 109.566 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 9.3 m -117.21 143.47 27.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.526 1.141 . . . . 0.0 109.247 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 156.93 173.92 25.99 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.49 1.118 . . . . 0.0 110.996 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 1.5 mptp? -45.41 131.95 8.1 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.449 0.735 . . . . 0.0 109.346 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . 0.417 ' O ' ' N ' ' A' ' 64' ' ' GLY . 4.8 p80 -83.43 84.01 7.67 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.483 1.114 . . . . 0.0 109.625 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 5.9 t 68.44 -69.34 0.15 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.459 1.099 . . . . 0.0 110.057 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . 0.417 ' N ' ' O ' ' A' ' 62' ' ' HIS . . . 173.92 -146.19 8.61 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.476 1.11 . . . . 0.0 111.004 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.08 101.94 1.53 Allowed 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.524 1.802 . . . . 0.0 110.971 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -156.85 91.06 1.18 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.476 1.11 . . . . 0.0 109.991 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 40.2 t -172.32 -60.28 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.458 1.099 . . . . 0.0 110.009 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.043 0 O-C-N 124.471 1.107 . . . . 0.0 110.978 179.988 . . . . . . . . 0 0 . 1 stop_ save_