data_2kfj_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 2kfj _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 ' 4' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.452 -0.33 0 N-CA-C 109.985 -0.376 . . . . 63.23 109.985 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . 0.452 HD12 ' CD1' ' A' ' 73' ' ' LEU . 44.8 mt -133.5 148.24 30.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.53 1.144 . . . . 62.02 109.296 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . 0.411 ' O ' ' N ' ' A' ' 81' ' ' LEU . 1.0 OUTLIER -109.49 146.97 33.7 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.447 1.092 . . . . 75.14 109.284 -179.997 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 1.8 m-30 -120.39 122.78 41.5 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.541 1.151 . . . . 75.41 110.997 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 8.3 ttp180 -99.24 84.88 3.09 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.508 1.13 . . . . 73.13 110.325 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . 0.417 HG22 ' CD2' ' A' ' 85' ' ' LEU . 3.2 mp -58.53 110.77 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.479 1.112 . . . . 74.22 109.245 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 3.8 m . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.532 1.145 . . . . 72.24 110.003 179.971 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 15.8 mm . . . . . 0 N--CA 1.453 -0.287 0 N-CA-C 109.279 -0.637 . . . . 74.41 109.279 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . 0.487 ' CE2' ' HB3' ' A' ' 36' ' ' LYS . 57.9 t80 -147.38 154.69 41.19 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.477 1.111 . . . . 74.24 110.98 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 2.2 p -116.79 134.05 55.27 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.54 1.15 . . . . 53.42 110.336 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.481 ' CD2' ' C ' ' A' ' 18' ' ' LEU . 3.4 tt -134.42 127.84 32.36 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.482 1.114 . . . . 60.03 109.281 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.474 ' CD1' ' C ' ' A' ' 19' ' ' LEU . 0.8 OUTLIER -85.51 112.22 20.72 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.466 1.104 . . . . 72.33 109.321 179.974 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 6.9 p -113.25 122.08 66.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.539 1.149 . . . . 73.13 109.275 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . 0.566 ' HB2' ' CD1' ' A' ' 24' ' ' TRP . 18.9 mm-40 -63.78 167.46 5.96 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.503 1.127 . . . . 74.11 110.33 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 1.3 mtpm? -93.09 18.55 9.12 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.471 1.107 . . . . 74.43 109.277 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . 0.487 ' O ' ' CG2' ' A' ' 23' ' ' VAL . 0.4 OUTLIER -124.2 1.73 5.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 O-C-N 124.504 1.128 . . . . 75.53 109.297 -179.984 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' TRP . . . . . 0.566 ' CD1' ' HB2' ' A' ' 21' ' ' GLU . 21.1 m0 -93.63 94.81 8.81 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.575 1.172 . . . . 75.02 108.027 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . 0.529 ' ND2' ' N ' ' A' ' 25' ' ' ASN . 0.1 OUTLIER -50.77 -178.89 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.51 1.131 . . . . 54.45 109.281 -179.995 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 21.5 p90 -57.48 -28.49 63.45 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.535 1.147 . . . . 75.25 110.989 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -66.03 -72.89 0.14 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.488 1.118 . . . . 74.45 109.285 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . 0.462 ' H ' ' ND2' ' A' ' 25' ' ' ASN . 74.7 m-20 -51.41 -32.48 26.48 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.537 1.148 . . . . 74.32 109.316 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.467 ' CD1' ' CD1' ' A' ' 33' ' ' ILE . 1.2 tp -60.71 -61.74 2.37 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.492 1.12 . . . . 64.52 109.276 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 29.0 mm -54.71 -34.37 29.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.518 1.136 . . . . 70.41 109.293 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 2.9 mmt -76.02 -25.05 55.33 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.476 1.11 . . . . 74.35 111.0 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . 0.42 ' N ' ' O ' ' A' ' 28' ' ' ASP . . . -68.55 -48.27 64.71 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.513 1.133 . . . . 74.11 109.302 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.467 ' CD1' ' CD1' ' A' ' 29' ' ' LEU . 4.0 mp -73.17 -38.6 55.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.47 1.106 . . . . 75.01 109.291 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 1.4 m-80 -66.02 -15.75 63.31 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.462 1.101 . . . . 74.24 109.318 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 3.7 m -86.3 -47.55 9.29 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.541 1.151 . . . . 74.34 109.981 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . 0.487 ' HB3' ' CE2' ' A' ' 16' ' ' PHE . 0.0 OUTLIER -65.52 -47.16 76.88 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.501 1.126 . . . . 75.33 109.287 -179.993 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . 0.452 ' CD1' HG13 ' A' ' 45' ' ' ILE . 1.4 pt -72.49 -9.88 13.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.463 1.102 . . . . 73.43 109.265 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 3.0 t . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.509 1.13 . . . . 72.54 110.024 -179.999 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 N--CA 1.453 -0.909 0 N-CA-C 111.029 -0.412 . . . . 73.32 111.029 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . 0.452 HG13 ' CD1' ' A' ' 37' ' ' ILE . 1.5 pp -126.46 151.47 33.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.481 1.113 . . . . 74.45 109.285 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 15.8 p -120.34 -1.42 10.22 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.513 1.133 . . . . 53.2 110.397 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 3.0 mtpm? -133.02 126.1 31.17 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.53 1.144 . . . . 75.41 109.32 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . 0.453 ' HB ' ' CG2' ' A' ' 83' ' ' ILE . 36.1 pt -125.9 129.28 72.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.449 1.093 . . . . 70.53 109.34 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . 0.423 ' HZ3' ' N ' ' A' ' 59' ' ' VAL . 7.6 tttm -103.28 108.84 20.22 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.443 1.089 . . . . 71.21 109.345 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' TYR . . . . . 0.572 ' CE2' ' OD1' ' A' ' 52' ' ' ASP . 7.9 p90 -98.85 149.29 23.06 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.514 1.134 . . . . 75.5 110.989 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . 0.429 ' O ' ' CD2' ' A' ' 50' ' ' TYR . 44.8 tt0 -76.13 159.48 30.68 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.465 1.103 . . . . 72.14 110.314 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . 0.572 ' OD1' ' CE2' ' A' ' 50' ' ' TYR . 22.1 m-20 -121.89 173.12 7.7 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.499 1.124 . . . . 71.31 109.322 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . 0.492 ' CB ' ' OD1' ' A' ' 76' ' ' ASN . 2.2 pp20? -56.57 -49.44 74.85 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.566 1.166 . . . . 70.34 110.342 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . 0.439 ' N ' ' CD ' ' A' ' 53' ' ' GLU . 26.8 t70 -52.65 -21.67 4.24 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.486 1.116 . . . . 72.54 109.279 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 94.52 8.28 59.81 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.462 1.101 . . . . 73.51 111.027 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -100.75 134.99 42.91 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.53 0.782 . . . . 71.41 109.28 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . 0.403 ' CD1' ' O ' ' A' ' 57' ' ' PHE . 9.7 p90 -68.81 142.5 54.86 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.508 1.13 . . . . 74.1 110.976 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -139.58 142.65 32.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.547 1.154 . . . . 74.14 109.302 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . 0.423 ' N ' ' HZ3' ' A' ' 49' ' ' LYS . 4.4 t -63.75 150.77 9.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.465 1.103 . . . . 75.1 109.315 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.417 ' HB2' ' CD1' ' A' ' 50' ' ' TYR . 1.3 tp -145.41 114.1 6.81 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.498 1.124 . . . . 72.05 109.331 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -151.76 20.73 0.9 Allowed Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.46 1.1 . . . . 73.23 111.042 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 87.6 p -151.06 173.39 14.4 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.532 0.784 . . . . 71.35 109.975 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 22.0 t0 -78.36 -30.61 48.1 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.527 1.142 . . . . 62.22 109.279 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . 0.491 ' O ' ' CG2' ' A' ' 68' ' ' VAL . 2.7 tt0 -69.4 -13.54 62.42 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.479 1.112 . . . . 75.0 110.309 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -111.7 -15.95 13.32 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.493 1.121 . . . . 62.31 109.305 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' TRP . . . . . 0.578 ' O ' ' CE3' ' A' ' 66' ' ' TRP . 3.8 t-105 -92.41 -24.04 18.99 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.532 1.145 . . . . 74.32 107.984 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 75.4 m-20 -94.47 -49.69 5.56 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.511 1.132 . . . . 61.33 109.301 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . 0.491 ' CG2' ' O ' ' A' ' 64' ' ' GLU . 12.4 t -50.08 -24.01 1.79 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.501 1.126 . . . . 74.02 109.28 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . 0.565 ' CB ' ' CE2' ' A' ' 50' ' ' TYR . . . -87.57 -41.83 13.17 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.452 1.095 . . . . 65.23 109.32 -179.948 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . 0.564 ' HD3' ' CZ2' ' A' ' 66' ' ' TRP . 4.7 mtmp? -54.53 -55.72 26.26 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.485 1.116 . . . . 64.55 109.288 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 18.5 mt-10 -52.29 -20.91 2.99 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.526 1.141 . . . . 75.14 110.306 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' MET . . . . . 0.418 ' O ' ' N ' ' A' ' 75' ' ' GLU . 17.8 ttm -81.52 -36.4 29.23 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.583 1.177 . . . . 75.42 111.01 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . 0.452 ' CD1' HD12 ' A' ' 5' ' ' ILE . 17.4 mt -47.13 -46.09 22.87 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.546 1.154 . . . . 72.13 109.316 -179.947 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -59.59 -35.33 74.09 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.509 1.131 . . . . 72.12 109.276 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . 0.418 ' N ' ' O ' ' A' ' 72' ' ' MET . 10.2 mm-40 -78.98 -23.31 44.54 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.528 1.143 . . . . 74.41 110.283 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' ASN . . . . . 0.492 ' OD1' ' CB ' ' A' ' 53' ' ' GLU . 72.4 m-20 -91.9 -15.08 28.59 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.53 1.144 . . . . 73.44 109.28 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' ASN . . . . . 0.442 ' N ' ' O ' ' A' ' 73' ' ' LEU . 44.9 m-80 61.6 38.17 15.64 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.488 1.118 . . . . 75.44 109.292 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . 0.556 ' HB2' ' CZ ' ' A' ' 80' ' ' PHE . 4.7 pt-20 -126.27 121.42 32.6 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.472 1.107 . . . . 74.24 110.288 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -85.18 3.8 37.48 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.463 1.102 . . . . 74.33 109.286 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 80' ' ' PHE . . . . . 0.556 ' CZ ' ' HB2' ' A' ' 78' ' ' GLU . 5.1 p90 -115.46 -179.83 3.76 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.537 1.148 . . . . 64.01 111.013 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 0.465 HD12 ' CD1' ' A' ' 83' ' ' ILE . 2.1 tm? -152.93 160.05 43.01 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.481 1.113 . . . . 75.32 109.275 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 82' ' ' ASN . . . . . 0.434 ' C ' ' ND2' ' A' ' 82' ' ' ASN . 1.1 t30 -126.76 127.25 44.76 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.519 1.137 . . . . 71.11 109.32 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . 0.465 ' CD1' HD12 ' A' ' 81' ' ' LEU . 45.7 mm -120.02 148.1 23.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.457 1.098 . . . . 75.03 109.322 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 10.2 tpt180 -108.58 134.18 51.69 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.467 1.104 . . . . 73.5 110.288 -179.939 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . 0.417 ' CD2' HG22 ' A' ' 9' ' ' ILE . 6.7 mp -127.1 107.61 10.19 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.51 1.131 . . . . 75.23 109.309 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 39.6 p90 . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.541 1.15 . . . . 74.23 110.994 -179.957 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' SER . . . . . 0.449 ' CB ' HD13 ' A' ' 19' ' ' LEU . 0.7 OUTLIER . . . . . 0 N--CA 1.453 -0.292 0 N-CA-C 110.025 -0.361 . . . . 75.42 110.025 . . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 56.7 mt -135.01 150.82 30.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.505 1.128 . . . . 73.53 109.3 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . 0.471 ' CD1' ' N ' ' A' ' 7' ' ' PHE . 3.0 tm? -99.75 148.92 23.87 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.518 1.136 . . . . 72.34 109.294 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . 0.568 ' CZ ' HD12 ' A' ' 81' ' ' LEU . 1.9 m-85 -124.09 126.55 46.41 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.492 1.12 . . . . 74.31 110.993 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 1.2 mpt_? -95.59 85.12 4.09 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.47 1.107 . . . . 72.2 110.315 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . 0.411 HG12 ' CG1' ' A' ' 33' ' ' ILE . 5.2 mp -77.18 115.67 19.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.506 1.129 . . . . 74.33 109.323 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' SER . . . . . 0.411 ' O ' ' N ' ' A' ' 85' ' ' LEU . 2.6 p . . . . . 0 C--N 1.325 -0.477 0 O-C-N 124.522 1.139 . . . . 71.23 109.997 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 3.4 mm . . . . . 0 N--CA 1.453 -0.288 0 N-CA-C 109.274 -0.639 . . . . 74.34 109.274 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 90.7 m-85 -123.17 141.28 52.14 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.519 1.137 . . . . 74.1 110.986 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 2.4 p -98.16 142.21 30.13 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.484 1.115 . . . . 74.25 110.348 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.441 HD21 ' CE ' ' A' ' 36' ' ' LYS . 2.3 tm? -153.86 111.79 3.54 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.565 1.166 . . . . 74.21 109.267 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.555 ' O ' ' CZ3' ' A' ' 24' ' ' TRP . 0.2 OUTLIER -61.66 118.14 6.7 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.529 1.143 . . . . 73.45 109.301 179.992 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.481 HG22 ' CG ' ' A' ' 7' ' ' PHE . 2.3 t -114.32 100.59 10.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.479 1.112 . . . . 73.41 109.305 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . 0.556 ' HB2' ' CD1' ' A' ' 24' ' ' TRP . 63.1 mt-10 -54.75 163.04 1.03 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.469 1.106 . . . . 74.22 110.259 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 23.0 mttt -90.26 15.64 10.07 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.538 1.149 . . . . 73.35 109.29 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . 0.404 ' CG1' ' HB3' ' A' ' 21' ' ' GLU . 0.2 OUTLIER -116.43 -38.63 2.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.126 . . . . 72.0 109.28 -179.987 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' TRP . . . . . 0.556 ' CD1' ' HB2' ' A' ' 21' ' ' GLU . 33.9 m0 -45.77 153.94 0.25 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.502 1.126 . . . . 74.14 108.011 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 20.7 p-10 -113.37 -174.95 2.56 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.548 1.155 . . . . 61.25 109.292 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 5.3 p90 -55.95 -29.06 59.59 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.522 1.139 . . . . 75.23 110.96 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 3.9 t70 -74.85 -73.87 0.22 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.495 1.122 . . . . 72.11 109.307 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . 0.44 ' O ' ' N ' ' A' ' 32' ' ' ALA . 49.7 m-20 -42.0 -37.24 1.31 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.525 1.14 . . . . 63.21 109.334 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 3.2 tp -54.67 -56.69 16.51 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.472 1.107 . . . . 74.13 109.269 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 32.1 mm -57.03 -49.51 79.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.469 1.106 . . . . 73.3 109.297 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 39.5 mtp -62.85 -22.6 66.8 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.476 1.11 . . . . 75.13 110.973 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . 0.44 ' N ' ' O ' ' A' ' 28' ' ' ASP . . . -73.4 -52.3 14.24 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.443 1.09 . . . . 73.35 109.316 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.418 ' N ' HD13 ' A' ' 33' ' ' ILE . 2.2 mp -67.67 -33.34 61.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.536 1.147 . . . . 73.11 109.292 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -59.69 -16.41 26.52 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.478 1.111 . . . . 75.03 109.293 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 8.2 t -83.68 -32.13 25.75 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.533 1.145 . . . . 74.0 109.978 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . 0.441 ' CE ' HD21 ' A' ' 18' ' ' LEU . 0.6 OUTLIER -82.11 -38.1 25.31 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.501 1.125 . . . . 74.43 109.314 -179.957 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . 0.469 HD12 ' CG2' ' A' ' 45' ' ' ILE . 3.6 pt -87.29 10.75 1.56 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.503 1.127 . . . . 74.11 109.318 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.498 1.124 . . . . 72.3 109.986 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 N--CA 1.453 -0.855 0 N-CA-C 111.004 -0.422 . . . . 74.11 111.004 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . 0.469 ' CG2' HD12 ' A' ' 37' ' ' ILE . 40.6 pt -102.19 123.53 55.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.558 1.161 . . . . 74.03 109.296 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -100.37 4.81 44.19 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.527 1.142 . . . . 75.13 110.418 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 10.4 ptmm? -163.97 133.82 4.09 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.533 1.145 . . . . 72.45 109.31 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . 0.466 ' CG2' HD11 ' A' ' 45' ' ' ILE . 42.9 pt -121.87 133.8 67.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.461 1.101 . . . . 73.55 109.299 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 8.3 ttmm -103.24 103.49 13.53 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.487 1.117 . . . . 74.05 109.306 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' TYR . . . . . 0.563 ' CE2' ' HB2' ' A' ' 69' ' ' ALA . 6.5 p90 -95.48 145.85 24.87 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.476 1.11 . . . . 73.22 110.983 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . 0.453 ' O ' ' CD2' ' A' ' 50' ' ' TYR . 48.7 tt0 -72.98 163.51 28.06 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.547 1.154 . . . . 75.5 110.267 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . 0.426 ' N ' ' CG ' ' A' ' 51' ' ' GLN . 3.8 t70 -118.28 -174.95 2.77 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.501 1.125 . . . . 75.1 109.278 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 23.1 pt-20 -73.55 -37.28 65.61 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.545 1.153 . . . . 74.24 110.295 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 17.6 t70 -68.48 -15.56 63.59 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.516 1.135 . . . . 73.32 109.305 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 91.79 15.72 53.76 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.485 1.116 . . . . 63.41 110.981 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 24.0 m-20 -104.78 126.99 52.42 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.486 0.756 . . . . 75.03 109.27 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 12.6 p90 -62.49 140.18 58.6 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.552 1.158 . . . . 74.31 110.994 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . 0.486 HG21 ' CE1' ' A' ' 50' ' ' TYR . 0.1 OUTLIER -140.53 138.73 35.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.536 1.147 . . . . 75.34 109.347 179.991 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 58.8 t -62.06 151.96 7.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.496 1.122 . . . . 75.41 109.264 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.521 ' HB2' ' CD1' ' A' ' 50' ' ' TYR . 1.5 tp -144.85 113.36 6.65 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.522 1.139 . . . . 72.23 109.328 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -152.0 22.46 0.89 Allowed Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.542 1.151 . . . . 73.2 111.032 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 7.9 m -150.39 171.1 17.56 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.468 0.746 . . . . 75.53 109.993 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -74.77 -30.02 61.32 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 64.12 109.255 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . 0.498 ' O ' ' CG2' ' A' ' 68' ' ' VAL . 19.3 tt0 -75.72 -9.77 58.87 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.501 1.125 . . . . 75.15 110.288 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -106.6 -18.4 13.97 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.48 1.112 . . . . 70.4 109.311 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' TRP . . . . . 0.592 ' O ' ' CE3' ' A' ' 66' ' ' TRP . 3.7 t-105 -100.35 -21.9 15.26 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 107.98 -1.119 . . . . 71.14 107.98 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 3.2 t30 -90.67 -42.7 10.6 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.506 1.129 . . . . 71.4 109.347 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . 0.498 ' CG2' ' O ' ' A' ' 64' ' ' GLU . 16.3 t -60.24 -27.52 39.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.446 1.091 . . . . 73.32 109.266 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . 0.563 ' HB2' ' CE2' ' A' ' 50' ' ' TYR . . . -79.68 -47.61 15.06 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.469 1.106 . . . . 70.23 109.322 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . 0.559 ' HD3' ' CZ2' ' A' ' 66' ' ' TRP . 2.2 mtmp? -51.81 -61.29 2.35 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.474 1.108 . . . . 71.22 109.296 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 15.1 mm-40 -45.25 -25.6 0.4 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.523 1.139 . . . . 72.14 110.312 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' MET . . . . . 0.409 ' N ' ' C ' ' A' ' 70' ' ' LYS . 3.8 ttp -79.44 -43.16 23.82 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.503 1.127 . . . . 73.12 110.988 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 6.3 mp -51.25 -49.34 61.34 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.538 1.149 . . . . 73.22 109.314 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -52.4 -27.16 14.64 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.492 1.12 . . . . 63.13 109.344 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 18.7 mm-40 -92.58 -26.4 17.9 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.481 1.113 . . . . 73.44 110.271 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 80.8 m-20 -82.26 -15.46 52.98 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.542 1.152 . . . . 74.24 109.291 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 2.9 m-80 60.15 42.58 15.27 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.508 1.13 . . . . 71.42 109.355 -179.922 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 8.4 pt-20 -118.13 140.53 49.64 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.454 1.096 . . . . 75.01 110.278 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 35.7 mmtt -105.38 17.22 24.3 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.504 1.127 . . . . 73.41 109.296 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 9.7 p90 -139.86 177.45 7.95 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.501 1.125 . . . . 71.35 111.028 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 0.568 HD12 ' CZ ' ' A' ' 7' ' ' PHE . 3.1 tt -146.69 166.41 26.66 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.534 1.146 . . . . 72.24 109.268 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 82' ' ' ASN . . . . . 0.438 ' C ' ' ND2' ' A' ' 82' ' ' ASN . 1.0 OUTLIER -125.65 125.99 43.98 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.534 1.146 . . . . 75.32 109.283 179.969 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . 0.469 HD13 ' CD2' ' A' ' 81' ' ' LEU . 27.0 mm -129.89 145.45 35.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.445 1.09 . . . . 75.54 109.34 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 3.8 ttp-105 -123.88 140.31 53.11 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.551 1.157 . . . . 75.3 110.317 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . 0.468 ' CD2' HG21 ' A' ' 83' ' ' ILE . 2.9 mm? -145.0 140.86 28.46 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.471 1.107 . . . . 64.3 109.325 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 86' ' ' TYR . . . . . 0.431 ' CD1' ' N ' ' A' ' 86' ' ' TYR . 10.9 p90 . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.508 1.13 . . . . 64.22 111.01 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' SER . . . . . 0.42 ' CB ' HD13 ' A' ' 19' ' ' LEU . 0.9 OUTLIER . . . . . 0 N--CA 1.453 -0.291 0 N-CA-C 109.966 -0.383 . . . . 74.34 109.966 . . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 13.1 mt -131.09 143.78 39.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.532 1.145 . . . . 71.11 109.309 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 3.8 tp -96.93 139.77 32.47 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 75.02 109.288 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . 0.566 ' CE1' HD11 ' A' ' 81' ' ' LEU . 2.7 m-30 -117.17 119.76 36.21 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.527 1.142 . . . . 74.44 111.014 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . 0.575 ' CG ' ' CG2' ' A' ' 15' ' ' ILE . 2.9 ttm180 -87.44 98.54 11.43 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.538 1.149 . . . . 74.44 110.269 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 3.9 mp -89.68 117.56 33.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.469 1.105 . . . . 75.21 109.286 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 1.2 t . . . . . 0 C--N 1.324 -0.509 0 O-C-N 124.478 1.111 . . . . 73.3 109.977 -179.987 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . 0.575 ' CG2' ' CG ' ' A' ' 8' ' ' ARG . 14.0 mm . . . . . 0 N--CA 1.452 -0.339 0 N-CA-C 109.345 -0.613 . . . . 75.22 109.345 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 2.7 t80 -125.31 158.68 33.58 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.541 1.151 . . . . 73.13 110.958 -179.934 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 2.2 p -116.52 145.34 43.4 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.454 1.096 . . . . 72.14 110.377 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.469 ' CD2' ' HD3' ' A' ' 36' ' ' LYS . 0.9 OUTLIER -152.61 106.45 3.09 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.552 1.157 . . . . 72.22 109.25 179.994 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.42 HD13 ' CB ' ' A' ' 4' ' ' SER . 0.2 OUTLIER -65.09 103.61 0.78 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.522 1.139 . . . . 71.33 109.321 179.955 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 3.2 p -108.86 115.48 49.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.545 1.153 . . . . 75.01 109.284 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . 0.561 ' HB2' ' CD1' ' A' ' 24' ' ' TRP . 7.6 mm-40 -59.45 166.37 2.38 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.517 1.136 . . . . 75.13 110.25 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 19.5 mttt -86.3 9.49 17.68 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.491 1.119 . . . . 75.41 109.246 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -113.46 -12.61 11.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.49 1.119 . . . . 74.51 109.32 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' TRP . . . . . 0.561 ' CD1' ' HB2' ' A' ' 21' ' ' GLU . 39.5 m0 -70.13 98.23 1.3 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.512 1.133 . . . . 74.5 107.965 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . 0.516 ' HA ' ' CE2' ' A' ' 66' ' ' TRP . 11.3 p-10 -63.25 179.7 0.39 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.451 1.094 . . . . 70.42 109.28 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . 0.556 ' CE2' ' OD2' ' A' ' 27' ' ' ASP . 20.2 p90 -49.5 -40.45 37.54 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.508 1.13 . . . . 72.25 110.969 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . 0.556 ' OD2' ' CE2' ' A' ' 26' ' ' PHE . 40.3 m-20 -62.72 -62.43 1.73 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.536 1.148 . . . . 73.2 109.316 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 50.1 t0 -54.14 -24.51 18.1 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.428 1.08 . . . . 64.44 109.292 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.468 HD23 ' CD2' ' A' ' 60' ' ' LEU . 0.4 OUTLIER -69.46 -57.7 4.91 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.508 1.13 . . . . 72.34 109.283 179.986 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . 0.456 ' CD1' HG12 ' A' ' 48' ' ' ILE . 35.8 mm -59.33 -34.69 54.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.522 1.138 . . . . 70.43 109.271 -179.949 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 3.5 mmm -76.36 -28.39 56.8 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.45 1.094 . . . . 75.4 110.999 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -60.21 -60.83 3.2 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.539 1.149 . . . . 71.04 109.309 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 3.6 mp -60.49 -47.04 94.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.494 1.121 . . . . 75.33 109.291 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 1.4 m-80 -54.65 -20.12 7.51 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.481 1.113 . . . . 74.43 109.316 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 1.4 t -77.92 -40.73 38.74 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.498 1.124 . . . . 74.24 110.0 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . 0.469 ' HD3' ' CD2' ' A' ' 18' ' ' LEU . 0.1 OUTLIER -70.41 -38.37 74.63 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.513 1.133 . . . . 74.44 109.295 179.993 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . 0.497 ' CD1' ' CD1' ' A' ' 45' ' ' ILE . 0.4 OUTLIER -88.49 -3.9 9.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.448 1.092 . . . . 74.14 109.294 -179.995 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' SER . . . . . 0.4 ' C ' ' O ' ' A' ' 37' ' ' ILE . 27.4 t . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.521 1.138 . . . . 73.12 110.022 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo . . . . . 0 N--CA 1.453 -0.88 0 N-CA-C 111.002 -0.422 . . . . 75.12 111.002 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . 0.497 ' CD1' ' CD1' ' A' ' 37' ' ' ILE . 1.4 pp -116.89 117.37 55.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 O-C-N 124.537 1.148 . . . . 75.31 109.305 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 6.8 p -99.51 36.36 1.78 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.493 1.12 . . . . 75.31 110.43 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -168.96 126.9 1.0 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.467 1.104 . . . . 72.34 109.299 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . 0.456 HG12 ' CD1' ' A' ' 30' ' ' ILE . 4.4 pt -125.18 149.5 29.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.472 1.108 . . . . 73.31 109.27 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 1.2 ttmp? -110.84 108.81 18.75 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.477 1.111 . . . . 75.21 109.339 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' TYR . . . . . 0.486 ' CE1' HG23 ' A' ' 58' ' ' VAL . 9.7 p90 -100.48 149.9 23.21 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.475 1.109 . . . . 74.41 111.019 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 44.7 tt0 -85.73 154.26 21.75 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.488 1.118 . . . . 64.42 110.34 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 7.5 t0 -115.58 -174.9 2.6 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.487 1.117 . . . . 74.22 109.323 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 2.4 pp20? -68.93 -34.34 75.21 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.503 1.127 . . . . 74.04 110.329 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 37.1 t70 -64.97 -16.02 62.9 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.468 1.105 . . . . 73.04 109.287 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 85.77 8.82 79.18 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.549 1.155 . . . . 63.4 111.003 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 2.7 t70 -99.13 139.46 34.74 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.496 0.763 . . . . 74.43 109.291 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 21.8 p90 -70.11 143.33 52.42 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.488 1.118 . . . . 74.22 110.989 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . 0.486 HG23 ' CE1' ' A' ' 50' ' ' TYR . 0.1 OUTLIER -145.91 135.12 17.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.481 1.113 . . . . 71.54 109.256 -179.974 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 4.3 p -67.01 155.02 7.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.517 1.136 . . . . 72.1 109.354 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.498 ' CD1' ' C ' ' A' ' 60' ' ' LEU . 0.3 OUTLIER -141.33 122.86 15.06 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.508 1.13 . . . . 64.44 109.275 -179.95 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . 0.479 ' N ' ' CD1' ' A' ' 60' ' ' LEU . . . -165.12 28.75 0.2 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.549 1.155 . . . . 71.03 110.936 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 11.8 m -161.85 162.71 29.44 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.495 0.762 . . . . 54.44 110.005 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . 0.443 ' OD1' ' ND2' ' A' ' 67' ' ' ASN . 25.4 t70 -65.34 -20.99 66.64 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.509 1.131 . . . . 74.13 109.339 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 18.2 tp10 -77.1 -18.69 57.8 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.459 1.099 . . . . 71.34 110.322 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . 0.422 ' CB ' HD13 ' A' ' 60' ' ' LEU . 4.1 m-20 -108.05 -13.69 14.89 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.542 1.151 . . . . 74.13 109.283 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' TRP . . . . . 0.596 ' CZ3' ' OD1' ' A' ' 67' ' ' ASN . 8.3 t90 -90.81 -28.51 18.16 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.558 1.161 . . . . 75.4 107.973 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . 0.596 ' OD1' ' CZ3' ' A' ' 66' ' ' TRP . 42.0 m-20 -89.6 -49.2 6.8 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.472 1.107 . . . . 74.31 109.279 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 62.9 t -62.1 -15.32 13.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.48 1.113 . . . . 75.04 109.324 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . 0.456 ' HB2' ' CE2' ' A' ' 50' ' ' TYR . . . -91.96 -40.21 11.25 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.531 1.144 . . . . 63.4 109.32 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . 0.524 ' NZ ' ' CE2' ' A' ' 66' ' ' TRP . 10.8 mtmm -66.87 -58.84 4.22 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.501 1.126 . . . . 75.23 109.323 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 76.7 mt-10 -44.24 -27.73 0.45 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.518 1.136 . . . . 74.14 110.283 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 1.5 tpt -69.18 -42.1 76.28 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.535 1.147 . . . . 75.3 111.0 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . 0.432 ' N ' ' O ' ' A' ' 70' ' ' LYS . 5.2 mt -54.03 -45.21 71.53 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.512 1.132 . . . . 71.13 109.29 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -56.79 -32.99 66.22 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.499 1.124 . . . . 71.2 109.294 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 53.2 mt-10 -84.7 -21.42 30.15 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.564 1.165 . . . . 73.1 110.312 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 81.4 m-20 -89.83 -14.03 35.27 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.462 1.102 . . . . 72.25 109.261 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 25.0 m-80 60.8 39.83 16.67 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.522 1.139 . . . . 70.52 109.272 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -121.22 154.95 35.61 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.522 1.138 . . . . 73.34 110.332 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 15.3 mmtp -113.37 15.32 19.22 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.493 1.12 . . . . 74.33 109.302 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 8.0 p90 -135.81 174.18 10.9 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.467 1.104 . . . . 73.11 111.014 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 0.566 HD11 ' CE1' ' A' ' 7' ' ' PHE . 1.2 tt -140.4 166.36 24.93 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.506 1.129 . . . . 70.04 109.308 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 82' ' ' ASN . . . . . 0.405 ' N ' HD21 ' A' ' 81' ' ' LEU . 1.4 t30 -127.24 107.65 10.19 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.492 1.12 . . . . 74.35 109.326 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . 0.464 HD13 ' CD2' ' A' ' 81' ' ' LEU . 17.6 mm -108.7 149.82 11.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.482 1.114 . . . . 73.41 109.294 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 19.3 ttm-85 -116.44 146.86 42.22 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.523 1.139 . . . . 75.34 110.343 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . 0.407 ' CD1' HG12 ' A' ' 45' ' ' ILE . 7.2 tp -145.68 116.22 7.62 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.489 1.118 . . . . 74.3 109.287 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 29.0 p90 . . . . . 0 C--N 1.324 -0.51 0 O-C-N 124.569 1.168 . . . . 74.51 110.98 179.997 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.452 -0.327 0 N-CA-C 109.995 -0.372 . . . . 73.03 109.995 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 18.2 mt -122.84 144.98 30.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.479 1.112 . . . . 73.43 109.296 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -103.35 145.02 30.59 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.445 1.091 . . . . 73.24 109.304 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . 0.565 ' CE2' HD13 ' A' ' 83' ' ' ILE . 1.8 m-85 -124.14 120.14 31.47 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.476 1.11 . . . . 75.22 110.993 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . 0.442 ' CG ' ' HA ' ' A' ' 82' ' ' ASN . 3.8 ptp85 -106.25 77.38 1.22 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.494 1.121 . . . . 73.52 110.288 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . 0.464 ' CG2' HD13 ' A' ' 85' ' ' LEU . 3.1 mp -47.16 108.77 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.502 1.126 . . . . 75.23 109.346 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 29.9 m . . . . . 0 C--N 1.325 -0.494 0 O-C-N 124.501 1.126 . . . . 74.13 110.027 179.986 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 8.8 mm . . . . . 0 N--CA 1.453 -0.318 0 N-CA-C 109.296 -0.631 . . . . 74.52 109.296 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . 0.462 ' O ' ' N ' ' A' ' 9' ' ' ILE . 5.8 t80 -157.84 146.16 19.01 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.538 1.149 . . . . 71.14 111.004 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 1.8 p -107.87 157.65 18.0 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.513 1.133 . . . . 75.3 110.407 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.462 ' CD2' ' HG3' ' A' ' 36' ' ' LYS . 0.3 OUTLIER -165.39 119.81 1.26 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.529 1.143 . . . . 44.43 109.323 -179.981 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.407 ' N ' HD21 ' A' ' 18' ' ' LEU . 0.2 OUTLIER -77.16 127.04 31.93 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.492 1.12 . . . . 72.31 109.337 179.984 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 14.6 p -129.74 121.8 53.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.503 1.127 . . . . 73.43 109.297 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . 0.516 ' HB2' ' CD1' ' A' ' 24' ' ' TRP . 42.5 mt-10 -63.26 165.13 7.8 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.498 1.124 . . . . 74.44 110.286 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . 0.441 ' O ' ' NZ ' ' A' ' 70' ' ' LYS . 13.9 mttt -89.35 13.9 12.46 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.502 1.126 . . . . 64.3 109.305 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -110.9 -34.51 2.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.469 1.105 . . . . 74.2 109.324 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' TRP . . . . . 0.516 ' CD1' ' HB2' ' A' ' 21' ' ' GLU . 13.3 m0 -58.5 100.47 0.06 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.51 1.131 . . . . 75.12 107.984 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . 0.443 ' OD1' ' CB ' ' A' ' 27' ' ' ASP . 22.8 p30 -55.26 -174.55 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.454 1.096 . . . . 72.4 109.313 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 7.8 p90 -61.54 -28.37 69.28 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.524 1.14 . . . . 73.44 111.005 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . 0.443 ' CB ' ' OD1' ' A' ' 25' ' ' ASN . 1.6 t70 -67.26 -65.9 0.63 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.5 1.125 . . . . 73.02 109.346 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . 0.431 ' O ' ' N ' ' A' ' 32' ' ' ALA . 5.3 m-20 -56.88 -34.93 68.36 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.452 1.095 . . . . 74.54 109.307 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.446 HD23 ' CD2' ' A' ' 60' ' ' LEU . 0.6 OUTLIER -55.75 -47.26 77.28 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.462 1.101 . . . . 74.0 109.248 179.998 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 25.2 mm -70.72 -52.39 28.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.559 1.162 . . . . 70.41 109.282 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 9.2 mmt -60.09 -16.04 28.35 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.47 1.106 . . . . 73.43 110.997 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . 0.431 ' N ' ' O ' ' A' ' 28' ' ' ASP . . . -75.95 -66.78 0.75 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.503 1.127 . . . . 72.02 109.257 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 4.3 mp -61.01 -30.27 47.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.527 1.142 . . . . 73.24 109.317 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -65.83 -11.54 47.24 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.473 1.108 . . . . 63.44 109.315 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 17.8 t -103.27 -30.8 10.42 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.534 1.146 . . . . 75.31 109.998 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . 0.462 ' HG3' ' CD2' ' A' ' 18' ' ' LEU . 16.3 mmtm -74.09 -36.65 64.29 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.535 1.147 . . . . 75.22 109.301 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . 0.443 ' CD1' HG13 ' A' ' 45' ' ' ILE . 5.9 pt -86.29 -7.9 11.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.529 1.143 . . . . 72.31 109.327 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 2.7 p . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.478 1.112 . . . . 72.43 109.918 -179.943 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo . . . . . 0 N--CA 1.453 -0.858 0 N-CA-C 110.97 -0.434 . . . . 74.12 110.97 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . 0.484 ' CD1' ' O ' ' A' ' 45' ' ' ILE . 1.5 pp -144.27 104.84 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.533 1.146 . . . . 75.44 109.328 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 6.2 t -79.39 2.94 19.9 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.493 1.12 . . . . 74.4 110.355 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 18.0 mmtp -126.6 123.11 36.89 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.508 1.13 . . . . 74.54 109.294 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . 0.405 ' O ' ' N ' ' A' ' 60' ' ' LEU . 11.7 pt -123.27 120.13 59.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.544 1.153 . . . . 74.23 109.282 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 24.7 mttp -88.56 91.72 8.91 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.532 1.145 . . . . 75.35 109.296 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' TYR . . . . . 0.52 ' CE1' HG23 ' A' ' 58' ' ' VAL . 9.5 p90 -86.09 148.62 25.62 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.453 1.096 . . . . 74.14 111.006 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 40.8 tt0 -77.31 156.37 31.37 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.461 1.101 . . . . 72.22 110.25 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 2.1 p-10 -122.52 -177.29 3.59 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.472 1.107 . . . . 73.42 109.3 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 19.1 pt-20 -60.31 -46.1 91.06 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.458 1.099 . . . . 72.12 110.308 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 7.9 t70 -50.63 -25.67 4.48 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.473 1.108 . . . . 73.35 109.304 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 95.65 12.05 54.2 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.495 1.122 . . . . 70.11 110.979 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 6.2 t70 -103.03 171.58 7.3 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.511 0.771 . . . . 74.42 109.289 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 96.9 m-85 -99.0 139.18 35.02 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.492 1.12 . . . . 64.42 110.968 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . 0.52 HG23 ' CE1' ' A' ' 50' ' ' TYR . 0.2 OUTLIER -138.92 139.98 39.54 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.475 1.11 . . . . 73.21 109.32 179.993 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 12.2 p -66.28 144.15 14.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.489 1.118 . . . . 74.15 109.334 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.5 ' HB2' ' CD1' ' A' ' 50' ' ' TYR . 1.2 tp -131.01 112.49 12.97 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.508 1.13 . . . . 73.21 109.327 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -151.89 24.01 0.91 Allowed Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.494 1.121 . . . . 61.44 111.016 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -148.21 157.24 43.38 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.508 0.77 . . . . 74.44 110.011 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . 0.428 ' O ' ' N ' ' A' ' 67' ' ' ASN . 1.4 p30 -65.13 -31.6 72.88 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.496 1.122 . . . . 74.13 109.284 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . 0.491 ' O ' ' CG2' ' A' ' 68' ' ' VAL . 46.2 mt-10 -72.61 -32.83 66.25 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.503 1.127 . . . . 74.53 110.299 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -83.64 -15.52 48.61 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.544 1.153 . . . . 73.22 109.275 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' TRP . . . . . 0.457 ' HB2' ' CD1' ' A' ' 60' ' ' LEU . 10.9 t-105 -100.24 -23.68 14.75 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.507 1.13 . . . . 74.23 107.99 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . 0.428 ' N ' ' O ' ' A' ' 63' ' ' ASP . 5.9 t30 -88.68 -48.79 7.28 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.469 1.105 . . . . 75.0 109.256 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . 0.491 ' CG2' ' O ' ' A' ' 64' ' ' GLU . 76.9 t -60.3 -25.27 33.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.514 1.134 . . . . 72.4 109.293 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . 0.48 ' CB ' ' CE2' ' A' ' 50' ' ' TYR . . . -78.57 -48.29 15.51 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.502 1.126 . . . . 73.01 109.269 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . 0.441 ' NZ ' ' O ' ' A' ' 22' ' ' LYS . 28.9 mtmt -52.77 -53.75 43.74 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.514 1.134 . . . . 73.42 109.294 -179.951 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 31.2 mm-40 -54.18 -19.37 5.01 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.528 1.142 . . . . 75.5 110.295 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' MET . . . . . 0.405 ' O ' ' N ' ' A' ' 76' ' ' ASN . 5.2 ttm -78.45 -34.73 47.57 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.477 1.111 . . . . 73.35 110.981 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . 0.417 ' O ' ' N ' ' A' ' 76' ' ' ASN . 0.5 OUTLIER -48.62 -59.38 3.57 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.47 1.106 . . . . 71.54 109.283 -179.974 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -50.62 -30.87 14.47 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.503 1.127 . . . . 71.22 109.259 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 11.4 mt-10 -80.91 -26.75 36.54 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.475 1.109 . . . . 75.22 110.33 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' ASN . . . . . 0.423 ' C ' ' N ' ' A' ' 78' ' ' GLU . 88.9 m-20 -87.9 11.22 16.27 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.489 1.118 . . . . 72.12 109.259 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 39.8 m-80 40.46 30.1 0.08 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.489 1.118 . . . . 72.22 109.316 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . 0.527 ' HB2' ' CE1' ' A' ' 80' ' ' PHE . 9.0 pt-20 -113.47 164.27 13.83 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.453 1.096 . . . . 74.12 110.28 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 36.4 mtmt -126.62 15.19 7.59 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.481 1.113 . . . . 73.42 109.292 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 80' ' ' PHE . . . . . 0.527 ' CE1' ' HB2' ' A' ' 78' ' ' GLU . 1.3 p90 -135.65 173.91 11.19 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.514 1.134 . . . . 75.32 110.973 -179.948 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 0.415 ' HB3' ' CD1' ' A' ' 7' ' ' PHE . 1.5 tm? -147.02 150.72 35.67 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.487 1.117 . . . . 72.45 109.307 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 82' ' ' ASN . . . . . 0.453 ' C ' ' ND2' ' A' ' 82' ' ' ASN . 0.7 OUTLIER -126.83 148.2 49.98 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.555 1.16 . . . . 74.1 109.281 -179.957 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . 0.565 HD13 ' CE2' ' A' ' 7' ' ' PHE . 36.9 mm -122.76 159.01 26.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.52 1.137 . . . . 75.31 109.326 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 43.5 ttt-85 -127.01 116.84 21.36 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.435 1.085 . . . . 74.52 110.325 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . 0.464 HD13 ' CG2' ' A' ' 9' ' ' ILE . 11.8 mt -110.8 133.85 53.0 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 73.02 109.309 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 9.1 t80 . . . . . 0 C--N 1.324 -0.513 0 O-C-N 124.535 1.147 . . . . 73.1 110.983 -179.997 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.453 -0.297 0 N-CA-C 109.992 -0.373 . . . . 74.44 109.992 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 23.8 mt -123.01 145.75 29.4 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.503 1.127 . . . . 74.1 109.257 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . 0.413 ' C ' ' CD1' ' A' ' 6' ' ' LEU . 0.9 OUTLIER -102.95 147.2 27.23 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.524 1.14 . . . . 73.42 109.292 -179.99 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . 0.566 ' CD2' HG13 ' A' ' 83' ' ' ILE . 1.6 m-85 -123.76 112.62 17.54 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.45 1.094 . . . . 52.35 111.002 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . 0.456 ' HG2' ' CG2' ' A' ' 15' ' ' ILE . 41.9 ttp180 -92.72 85.18 5.15 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.531 1.144 . . . . 74.1 110.289 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . 0.468 ' CG2' HD12 ' A' ' 85' ' ' LEU . 4.3 mp -65.28 161.86 2.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.508 1.13 . . . . 74.44 109.286 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' SER . . . . . 0.447 ' O ' ' N ' ' A' ' 85' ' ' LEU . 1.6 p . . . . . 0 C--N 1.325 -0.497 0 O-C-N 124.527 1.142 . . . . 75.23 109.99 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . 0.456 ' CG2' ' HG2' ' A' ' 8' ' ' ARG . 1.0 OUTLIER . . . . . 0 N--CA 1.453 -0.314 0 N-CA-C 109.296 -0.631 . . . . 75.43 109.296 . . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 31.9 m-85 -115.59 176.68 4.97 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.454 1.096 . . . . 72.41 110.97 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 7.8 p -131.87 146.78 52.32 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.479 1.112 . . . . 74.12 110.361 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.403 ' C ' ' CD1' ' A' ' 18' ' ' LEU . 1.5 tm? -147.08 122.18 10.13 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.506 1.129 . . . . 63.1 109.314 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -75.6 120.91 21.65 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.518 1.136 . . . . 75.05 109.277 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 15.0 p -127.0 117.54 47.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.525 1.141 . . . . 74.34 109.296 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . 0.555 ' OE2' ' CZ2' ' A' ' 24' ' ' TRP . 1.4 mp0 -56.58 167.87 0.66 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.476 1.11 . . . . 70.24 110.277 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 17.5 mttt -89.85 15.67 9.45 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.514 1.134 . . . . 73.32 109.296 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . 0.439 ' O ' ' N ' ' A' ' 25' ' ' ASN . 0.2 OUTLIER -113.71 -35.68 2.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.533 1.146 . . . . 72.21 109.306 179.982 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' TRP . . . . . 0.555 ' CZ2' ' OE2' ' A' ' 21' ' ' GLU . 15.6 m0 -54.51 93.06 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 107.98 -1.119 . . . . 74.21 107.98 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . 0.439 ' N ' ' O ' ' A' ' 23' ' ' VAL . 26.3 p-10 -51.4 176.9 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.468 1.105 . . . . 74.22 109.293 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . 0.403 ' CG ' ' N ' ' A' ' 27' ' ' ASP . 29.9 p90 -50.02 -35.38 24.55 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.464 1.103 . . . . 73.24 110.999 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . 0.403 ' N ' ' CG ' ' A' ' 26' ' ' PHE . 0.9 OUTLIER -62.91 -71.99 0.15 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.566 1.166 . . . . 75.41 109.257 -179.984 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -51.68 -22.68 3.63 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.515 1.134 . . . . 74.14 109.255 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.511 HD12 ' CE2' ' A' ' 7' ' ' PHE . 1.0 OUTLIER -69.68 -58.42 3.94 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.459 1.1 . . . . 72.04 109.297 -179.991 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 13.5 mm -56.92 -21.16 13.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.462 1.101 . . . . 75.55 109.312 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 16.0 mtp -90.48 -22.44 21.37 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.494 1.121 . . . . 62.53 111.011 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -69.24 -39.76 78.3 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.454 1.096 . . . . 75.53 109.265 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 2.5 mp -82.95 -43.96 18.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.46 1.1 . . . . 74.4 109.276 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 1.5 m-80 -60.17 -16.01 29.05 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.53 1.144 . . . . 70.13 109.334 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 9.6 t -79.62 -36.66 37.61 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.465 1.103 . . . . 74.5 109.991 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 1.1 mptp? -75.64 -48.81 20.58 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.471 1.107 . . . . 71.11 109.31 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . 0.504 ' CD1' ' CD1' ' A' ' 45' ' ' ILE . 0.7 OUTLIER -74.52 -4.22 5.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.534 1.147 . . . . 74.44 109.282 -179.945 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 28.9 t . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.502 1.126 . . . . 61.53 110.036 179.933 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo . . . . . 0 N--CA 1.453 -0.889 0 N-CA-C 110.981 -0.43 . . . . 72.43 110.981 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . 0.504 ' CD1' ' CD1' ' A' ' 37' ' ' ILE . 1.4 pp -121.04 99.73 7.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.488 1.117 . . . . 72.41 109.307 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 13.6 p -63.38 -22.95 67.19 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.522 1.139 . . . . 75.34 110.375 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 18.2 ptmt -118.57 144.37 46.14 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.545 1.153 . . . . 74.54 109.256 -179.946 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . 0.457 ' HB ' ' CG2' ' A' ' 83' ' ' ILE . 2.5 pp -135.54 154.49 35.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.511 1.132 . . . . 74.33 109.254 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 22.9 ttmt -114.28 129.63 56.64 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.448 1.093 . . . . 71.32 109.294 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' TYR . . . . . 0.504 ' CZ ' ' HB3' ' A' ' 69' ' ' ALA . 8.9 p90 -118.84 148.85 42.43 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.536 1.147 . . . . 75.5 111.042 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . 0.42 ' CG ' ' HA2' ' A' ' 55' ' ' GLY . 38.8 tt0 -77.45 148.78 35.23 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.516 1.135 . . . . 74.31 110.267 -179.944 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . 0.447 ' OD1' ' N ' ' A' ' 54' ' ' ASP . 7.3 p30 -117.23 -174.13 2.54 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.493 1.121 . . . . 65.33 109.304 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -62.58 -31.33 72.13 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.526 1.141 . . . . 74.12 110.291 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . 0.447 ' N ' ' OD1' ' A' ' 52' ' ' ASP . 0.8 OUTLIER -84.75 7.38 20.82 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.457 1.098 . . . . 64.44 109.33 -179.994 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . 0.42 ' HA2' ' CG ' ' A' ' 51' ' ' GLN . . . 57.05 16.41 18.48 Favored Glycine 0 CA--C 1.531 1.074 0 O-C-N 124.501 1.126 . . . . 73.54 110.965 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -94.53 102.39 14.32 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.519 0.776 . . . . 73.21 109.333 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 3.6 p90 -44.53 117.19 1.21 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.505 1.128 . . . . 73.31 111.019 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . 0.449 HG22 ' CE1' ' A' ' 50' ' ' TYR . 0.1 OUTLIER -118.8 136.67 55.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.459 1.1 . . . . 74.24 109.318 180.0 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 8.9 p -61.32 157.42 3.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.481 1.113 . . . . 64.42 109.318 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.45 ' CD2' HD21 ' A' ' 29' ' ' LEU . 5.2 tp -144.93 111.97 5.95 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.495 1.122 . . . . 75.13 109.311 179.933 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -155.44 23.26 0.57 Allowed Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.505 1.128 . . . . 70.14 110.996 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 2.3 p -152.31 174.73 13.45 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.543 0.79 . . . . 63.44 109.998 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -78.44 -29.83 47.19 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.508 1.13 . . . . 71.24 109.302 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . 0.488 ' O ' ' CG2' ' A' ' 68' ' ' VAL . 6.8 tt0 -71.48 -13.88 61.95 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.467 1.105 . . . . 74.54 110.316 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -111.96 -15.55 13.29 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.496 1.123 . . . . 75.13 109.31 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' TRP . . . . . 0.582 ' CZ2' ' NZ ' ' A' ' 70' ' ' LYS . 0.1 OUTLIER -94.3 -23.68 17.74 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.544 1.152 . . . . 74.5 108.009 -179.975 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 7.8 t30 -95.02 -50.24 5.18 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.49 1.119 . . . . 64.24 109.315 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . 0.488 ' CG2' ' O ' ' A' ' 64' ' ' GLU . 87.2 t -61.15 -15.78 13.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.474 1.108 . . . . 75.51 109.283 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . 0.504 ' HB3' ' CZ ' ' A' ' 50' ' ' TYR . . . -84.88 -38.69 19.13 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.482 1.114 . . . . 74.43 109.284 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . 0.582 ' NZ ' ' CZ2' ' A' ' 66' ' ' TRP . 52.1 mttt -65.87 -55.45 16.94 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.543 1.152 . . . . 73.45 109.333 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 8.7 pt-20 -44.48 -26.29 0.34 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.472 1.108 . . . . 73.22 110.255 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' MET . . . . . 0.449 ' O ' ' ND2' ' A' ' 76' ' ' ASN . 0.7 OUTLIER -79.92 -39.87 29.4 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.49 1.119 . . . . 74.1 110.99 -179.989 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . 0.465 ' CD1' ' HG3' ' A' ' 78' ' ' GLU . 0.4 OUTLIER -50.92 -62.95 1.3 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.539 1.149 . . . . 73.34 109.298 -179.974 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -49.87 -31.62 12.48 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.519 1.137 . . . . 72.31 109.314 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 7.6 mt-10 -75.36 -30.51 60.22 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.549 1.156 . . . . 75.23 110.26 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' ASN . . . . . 0.716 ' N ' HD21 ' A' ' 76' ' ' ASN . 0.8 OUTLIER -88.12 11.9 15.02 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.572 1.17 . . . . 75.42 109.328 -179.978 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 3.6 m-80 40.42 36.11 0.33 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.517 1.136 . . . . 65.3 109.329 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . 0.465 ' HG3' ' CD1' ' A' ' 73' ' ' LEU . 7.8 pt-20 -113.91 144.78 42.48 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.482 1.113 . . . . 72.13 110.332 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 5.7 mtmp? -111.38 19.74 17.95 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.52 1.138 . . . . 74.32 109.311 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 3.1 p90 -141.44 158.12 44.28 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.49 1.119 . . . . 75.41 111.05 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 0.408 ' CD1' ' N ' ' A' ' 82' ' ' ASN . 1.5 tm? -133.19 164.11 27.79 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.458 1.099 . . . . 73.5 109.296 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 82' ' ' ASN . . . . . 0.432 ' ND2' ' C ' ' A' ' 82' ' ' ASN . 1.1 t30 -132.09 138.2 48.04 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.492 1.12 . . . . 75.12 109.319 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . 0.566 HG13 ' CD2' ' A' ' 7' ' ' PHE . 25.9 mm -131.09 136.43 57.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.491 1.12 . . . . 74.12 109.306 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 23.1 ttt180 -111.57 150.06 30.56 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.488 1.118 . . . . 72.43 110.337 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . 0.468 HD12 ' CG2' ' A' ' 9' ' ' ILE . 96.0 mt -134.17 127.31 31.75 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.543 1.152 . . . . 75.11 109.276 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 86' ' ' TYR . . . . . 0.506 ' O ' ' CD1' ' A' ' 86' ' ' TYR . 10.9 t80 . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.526 1.141 . . . . 72.51 111.004 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 4' ' ' SER . . . . . 0.463 ' HA ' ' CG ' ' A' ' 22' ' ' LYS . 0.7 OUTLIER . . . . . 0 N--CA 1.453 -0.314 0 N-CA-C 110.0 -0.37 . . . . 75.35 110.0 . . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . 0.496 ' CG2' ' N ' ' A' ' 6' ' ' LEU . 7.8 mt -118.78 164.08 15.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.478 1.112 . . . . 73.51 109.261 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . 0.496 ' N ' ' CG2' ' A' ' 5' ' ' ILE . 1.9 tm? -123.06 147.05 47.15 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.506 1.129 . . . . 74.12 109.253 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . 0.701 ' CE2' ' CG1' ' A' ' 20' ' ' VAL . 15.5 m-85 -136.63 116.27 12.95 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.484 1.115 . . . . 75.21 110.974 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . 0.453 ' HB2' ' CG2' ' A' ' 15' ' ' ILE . 4.2 ptm180 -86.69 53.41 2.81 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.449 1.093 . . . . 73.25 110.315 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . 0.568 ' CG2' ' CD1' ' A' ' 85' ' ' LEU . 5.8 mt -44.11 111.38 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.505 1.128 . . . . 73.25 109.31 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' SER . . . . . 0.479 ' OG ' ' CD1' ' A' ' 15' ' ' ILE . 0.3 OUTLIER . . . . . 0 C--N 1.324 -0.509 0 O-C-N 124.526 1.141 . . . . 75.45 109.988 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . 0.479 ' CD1' ' OG ' ' A' ' 10' ' ' SER . 1.7 mm . . . . . 0 N--CA 1.453 -0.29 0 N-CA-C 109.315 -0.624 . . . . 73.2 109.315 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . 0.456 ' O ' ' N ' ' A' ' 9' ' ' ILE . 25.1 m-85 -129.94 130.0 44.53 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.489 1.118 . . . . 73.33 110.981 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 2.2 p -97.05 129.04 44.54 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.488 1.117 . . . . 74.35 110.399 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.441 ' CD2' ' C ' ' A' ' 18' ' ' LEU . 4.2 tt -132.01 124.85 30.14 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.464 1.103 . . . . 75.54 109.348 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -80.77 113.5 19.01 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.486 1.116 . . . . 64.51 109.298 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.701 ' CG1' ' CE2' ' A' ' 7' ' ' PHE . 14.3 p -106.49 140.21 25.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.504 1.128 . . . . 74.44 109.307 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . 0.567 ' HB2' ' CD1' ' A' ' 24' ' ' TRP . 53.3 mt-10 -81.17 161.46 24.03 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.511 1.132 . . . . 75.11 110.302 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . 0.463 ' CG ' ' HA ' ' A' ' 4' ' ' SER . 0.6 OUTLIER -89.38 14.93 10.05 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.478 1.111 . . . . 73.02 109.316 179.995 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . 0.457 ' CG1' ' OE2' ' A' ' 21' ' ' GLU . 0.2 OUTLIER -115.09 -37.33 2.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 O-C-N 124.46 1.1 . . . . 71.45 109.322 179.98 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' TRP . . . . . 0.567 ' CD1' ' HB2' ' A' ' 21' ' ' GLU . 9.1 m0 -58.31 105.41 0.28 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.552 1.157 . . . . 74.11 107.965 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . 0.512 ' HA ' ' CE2' ' A' ' 66' ' ' TRP . 20.1 p-10 -62.89 -178.68 0.22 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.527 1.142 . . . . 72.14 109.318 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . 0.432 ' CD1' ' N ' ' A' ' 27' ' ' ASP . 36.9 p90 -50.19 -36.15 29.41 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.489 1.118 . . . . 73.23 111.002 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . 0.432 ' N ' ' CD1' ' A' ' 26' ' ' PHE . 15.1 t70 -66.89 -73.0 0.14 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.483 1.114 . . . . 72.44 109.298 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . 0.416 ' CB ' ' HB3' ' A' ' 24' ' ' TRP . 43.1 m-20 -42.45 -32.98 0.6 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.52 1.137 . . . . 72.44 109.306 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.468 ' CD2' HD13 ' A' ' 48' ' ' ILE . 5.4 tp -57.8 -53.46 58.0 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.477 1.11 . . . . 63.51 109.316 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . 0.444 ' CG2' ' HA ' ' A' ' 46' ' ' THR . 17.5 mm -56.95 -51.14 72.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.496 1.122 . . . . 74.13 109.278 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 50.4 mmm -57.53 -27.07 62.28 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.564 1.165 . . . . 75.34 111.03 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -64.37 -54.76 27.77 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.506 1.129 . . . . 75.22 109.286 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.41 ' CG1' HD13 ' A' ' 9' ' ' ILE . 5.0 mp -62.77 -43.2 98.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.539 1.149 . . . . 73.43 109.285 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 1.5 m-80 -62.49 -15.35 49.6 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.527 1.142 . . . . 73.02 109.302 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 8.5 t -87.23 -45.41 10.66 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.484 1.115 . . . . 71.51 110.001 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . 0.427 ' HG2' ' CD1' ' A' ' 18' ' ' LEU . 0.0 OUTLIER -65.46 -46.07 81.24 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.505 1.128 . . . . 73.34 109.286 -179.977 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . 0.429 ' CD1' ' HA ' ' A' ' 44' ' ' PRO . 1.4 pt -75.79 -15.6 15.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.48 1.113 . . . . 72.25 109.317 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 20.5 t . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.124 . . . . 54.21 109.985 -179.996 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . 0.429 ' HA ' ' CD1' ' A' ' 37' ' ' ILE . 18.5 Cg_endo . . . . . 0 N--CA 1.452 -0.935 0 N-CA-C 111.025 -0.413 . . . . 65.32 111.025 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . 0.564 HG21 ' CE1' ' A' ' 86' ' ' TYR . 1.4 pp -153.33 113.69 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.489 1.118 . . . . 74.04 109.26 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' THR . . . . . 0.444 ' HA ' ' CG2' ' A' ' 30' ' ' ILE . 38.6 p -91.63 35.04 0.95 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.49 1.119 . . . . 72.41 110.348 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . 0.436 ' O ' ' CG ' ' A' ' 47' ' ' LYS . 8.6 pttp -157.52 114.38 2.97 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.516 1.135 . . . . 72.14 109.331 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . 0.468 HD13 ' CD2' ' A' ' 29' ' ' LEU . 7.5 pt -109.41 128.86 65.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.533 1.145 . . . . 73.25 109.309 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . 0.425 ' HD3' ' CB ' ' A' ' 57' ' ' PHE . 16.5 ttmm -95.34 103.49 15.36 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.491 1.12 . . . . 74.11 109.281 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' TYR . . . . . 0.464 ' CZ ' ' HB2' ' A' ' 69' ' ' ALA . 8.7 p90 -95.53 146.98 24.04 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.487 1.117 . . . . 74.13 111.015 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 62.7 tt0 -73.95 152.2 40.16 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.473 1.108 . . . . 73.12 110.293 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . 0.44 ' OD2' ' CB ' ' A' ' 54' ' ' ASP . 9.8 p-10 -112.53 -177.55 3.18 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.519 1.137 . . . . 73.11 109.315 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . 0.401 ' N ' ' SD ' ' A' ' 72' ' ' MET . 17.4 pt-20 -64.77 -47.52 77.84 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.516 1.135 . . . . 74.54 110.251 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . 0.44 ' CB ' ' OD2' ' A' ' 52' ' ' ASP . 4.0 t0 -46.74 -28.64 1.58 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.518 1.136 . . . . 73.41 109.273 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 101.58 14.02 30.99 Favored Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.475 1.109 . . . . 63.14 110.992 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 15.2 t0 -104.63 -177.11 3.27 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.499 0.764 . . . . 73.34 109.331 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . 0.425 ' CB ' ' HD3' ' A' ' 49' ' ' LYS . 20.2 m-85 -108.94 139.39 43.86 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.522 1.139 . . . . 73.32 111.027 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -138.48 138.31 42.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.529 1.143 . . . . 72.11 109.262 -179.948 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 46.1 t -69.14 142.9 15.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.488 1.118 . . . . 74.35 109.345 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.468 ' CD2' HD22 ' A' ' 29' ' ' LEU . 0.3 OUTLIER -126.57 104.48 8.14 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.496 1.122 . . . . 74.31 109.314 -179.978 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -144.22 21.72 2.08 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.539 1.149 . . . . 63.24 110.965 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 1.4 m -147.56 175.78 10.59 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.487 0.757 . . . . 74.21 110.012 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . 0.444 ' O ' ' N ' ' A' ' 67' ' ' ASN . 1.1 p-10 -74.36 -29.56 61.62 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.495 1.122 . . . . 74.31 109.31 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . 0.489 ' O ' ' CG2' ' A' ' 68' ' ' VAL . 3.0 tt0 -66.88 -37.96 85.4 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.527 1.142 . . . . 73.22 110.327 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 9.0 m-20 -86.62 -14.29 43.15 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.5 1.125 . . . . 75.54 109.316 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' TRP . . . . . 0.597 ' CZ3' ' OD1' ' A' ' 67' ' ' ASN . 5.5 t90 -95.57 -19.18 19.99 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.52 1.138 . . . . 72.33 107.948 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . 0.597 ' OD1' ' CZ3' ' A' ' 66' ' ' TRP . 58.3 m-20 -98.38 -47.88 5.25 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.478 1.111 . . . . 65.42 109.282 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . 0.489 ' CG2' ' O ' ' A' ' 64' ' ' GLU . 85.4 t -62.73 -30.52 49.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.483 1.115 . . . . 62.11 109.312 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . 0.464 ' HB2' ' CZ ' ' A' ' 50' ' ' TYR . . . -73.47 -20.31 60.73 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.426 1.079 . . . . 75.41 109.292 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 5.1 mtmp? -87.95 -56.59 3.27 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.48 1.112 . . . . 72.12 109.288 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 20.4 pt-20 -49.44 -30.86 8.7 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.553 1.158 . . . . 74.45 110.326 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' MET . . . . . 0.427 ' O ' ' N ' ' A' ' 75' ' ' GLU . 5.7 ttp -64.94 -46.58 81.0 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.499 1.124 . . . . 75.41 111.051 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 4.1 mt -45.89 -45.55 15.32 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.492 1.12 . . . . 71.45 109.286 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -64.15 -36.83 85.34 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.466 1.104 . . . . 74.51 109.285 -179.937 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . 0.427 ' N ' ' O ' ' A' ' 72' ' ' MET . 10.1 mm-40 -74.79 -21.65 59.19 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.477 1.11 . . . . 73.44 110.328 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' ASN . . . . . 0.493 ' CB ' ' OE1' ' A' ' 78' ' ' GLU . 2.0 m-80 -95.86 -14.21 23.37 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.479 1.112 . . . . 52.15 109.264 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 8.3 m-80 61.39 33.9 18.55 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.53 1.144 . . . . 72.14 109.266 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . 0.493 ' OE1' ' CB ' ' A' ' 76' ' ' ASN . 9.1 pt-20 -109.82 168.34 9.49 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.528 1.143 . . . . 74.32 110.321 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 30.2 mmtp -126.4 18.21 7.58 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.487 1.117 . . . . 73.42 109.299 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 26.4 p90 -141.69 166.91 23.45 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.511 1.132 . . . . 71.54 110.957 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 0.495 ' HB3' ' CD1' ' A' ' 7' ' ' PHE . 2.1 tm? -143.94 150.55 38.51 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 73.14 109.322 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 82' ' ' ASN . . . . . 0.455 ' O ' ' CD1' ' A' ' 81' ' ' LEU . 1.0 OUTLIER -107.12 148.09 29.24 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.486 1.116 . . . . 61.12 109.332 179.936 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . 0.445 HD13 ' CD1' ' A' ' 81' ' ' LEU . 38.6 mm -137.65 157.1 33.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.481 1.113 . . . . 73.15 109.258 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 32.7 ttt-85 -132.74 148.1 52.33 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.491 1.119 . . . . 75.03 110.28 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . 0.568 ' CD1' ' CG2' ' A' ' 9' ' ' ILE . 12.9 mt -140.14 122.04 15.54 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.457 1.098 . . . . 64.2 109.297 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 86' ' ' TYR . . . . . 0.564 ' CE1' HG21 ' A' ' 45' ' ' ILE . 1.6 p90 . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 74.43 111.008 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.453 -0.299 0 N-CA-C 110.037 -0.357 . . . . 74.31 110.037 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . 0.412 HG13 ' CE ' ' A' ' 22' ' ' LYS . 18.5 mt -130.3 144.84 36.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.52 1.137 . . . . 71.13 109.287 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . 0.436 ' CD1' ' N ' ' A' ' 7' ' ' PHE . 3.2 tm? -100.63 148.6 24.66 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.466 1.104 . . . . 65.14 109.31 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . 0.537 ' CE2' HD13 ' A' ' 29' ' ' LEU . 1.6 m-85 -124.82 115.3 20.46 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.505 1.128 . . . . 73.32 111.029 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . 0.469 ' HG2' ' CG2' ' A' ' 15' ' ' ILE . 10.3 ttp180 -94.13 81.2 4.07 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.471 1.107 . . . . 75.12 110.295 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 4.6 mp -65.61 166.83 1.34 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.526 1.141 . . . . 74.14 109.302 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' SER . . . . . 0.437 ' HB2' ' CG1' ' A' ' 15' ' ' ILE . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.527 1.142 . . . . 72.03 110.047 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . 0.469 ' CG2' ' HG2' ' A' ' 8' ' ' ARG . 1.0 OUTLIER . . . . . 0 N--CA 1.454 -0.27 0 N-CA-C 109.269 -0.641 . . . . 73.32 109.269 . . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 56.5 m-85 -116.21 175.85 5.36 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.466 1.104 . . . . 71.43 110.97 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 37.0 p -126.54 154.15 44.23 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.514 1.134 . . . . 74.43 110.419 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.442 HD22 ' CE ' ' A' ' 36' ' ' LYS . 1.3 tm? -156.09 123.97 5.63 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.467 1.104 . . . . 72.41 109.298 -179.952 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.44 ' CD1' ' C ' ' A' ' 19' ' ' LEU . 0.2 OUTLIER -78.02 121.51 24.33 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.554 1.159 . . . . 73.45 109.322 179.944 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.418 ' N ' HD11 ' A' ' 19' ' ' LEU . 13.4 p -125.62 115.2 42.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.453 1.095 . . . . 71.03 109.316 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . 0.49 ' HB2' ' CD1' ' A' ' 24' ' ' TRP . 29.4 mm-40 -57.24 168.9 0.65 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.521 1.138 . . . . 74.34 110.28 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . 0.412 ' CE ' HG13 ' A' ' 5' ' ' ILE . 69.9 mttt -89.59 15.15 9.94 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.448 1.092 . . . . 72.34 109.267 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -112.92 -37.19 2.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.521 1.138 . . . . 65.42 109.307 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' TRP . . . . . 0.49 ' CD1' ' HB2' ' A' ' 21' ' ' GLU . 10.8 m0 -55.94 94.49 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 107.992 -1.114 . . . . 74.35 107.992 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . 0.435 ' OD1' ' N ' ' A' ' 25' ' ' ASN . 3.3 p-10 -53.8 176.05 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.478 1.111 . . . . 74.43 109.291 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . 0.41 ' CG ' ' N ' ' A' ' 27' ' ' ASP . 12.5 p90 -50.43 -34.13 23.47 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.531 1.144 . . . . 73.44 110.952 -179.947 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . 0.41 ' N ' ' CG ' ' A' ' 26' ' ' PHE . 33.6 t0 -64.35 -64.83 0.78 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.504 1.127 . . . . 72.04 109.299 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -55.61 -23.96 30.52 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.512 1.132 . . . . 75.41 109.253 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.537 HD13 ' CE2' ' A' ' 7' ' ' PHE . 4.4 tp -70.6 -56.27 6.89 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.535 1.147 . . . . 75.31 109.297 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . 0.433 ' O ' ' ND2' ' A' ' 34' ' ' ASN . 18.9 mm -60.7 -20.17 20.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.491 1.119 . . . . 74.33 109.352 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 8.2 mmt -92.86 -23.96 18.63 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.511 1.132 . . . . 64.45 111.004 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -71.8 -48.49 46.05 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.504 1.128 . . . . 74.12 109.315 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 4.1 mp -73.24 -42.21 58.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.516 1.135 . . . . 64.13 109.282 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . 0.433 ' ND2' ' O ' ' A' ' 30' ' ' ILE . 0.9 OUTLIER -53.71 -25.86 20.43 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.525 1.141 . . . . 73.24 109.291 -179.991 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' SER . . . . . 0.464 ' O ' ' CB ' ' A' ' 38' ' ' SER . 16.9 t -79.31 -47.03 16.57 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.45 1.094 . . . . 53.32 110.01 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . 0.442 ' CE ' HD22 ' A' ' 18' ' ' LEU . 7.7 mptt -59.46 -38.52 80.98 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.496 1.122 . . . . 72.31 109.36 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 2.6 pt -80.38 -15.67 12.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.548 1.155 . . . . 74.15 109.287 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' SER . . . . . 0.464 ' CB ' ' O ' ' A' ' 35' ' ' SER . 8.7 t . . . . . 0 C--N 1.325 -0.477 0 O-C-N 124.437 1.086 . . . . 75.22 109.99 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 N--CA 1.453 -0.853 0 N-CA-C 111.029 -0.412 . . . . 75.15 111.029 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . 0.495 ' CD1' ' O ' ' A' ' 45' ' ' ILE . 1.2 pp -146.03 113.71 1.26 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.468 1.105 . . . . 74.44 109.282 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 3.0 p -75.96 -34.19 59.82 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.126 . . . . 71.03 110.35 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -95.83 120.82 36.76 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.474 1.109 . . . . 73.32 109.318 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 17.7 pt -116.47 151.71 18.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.546 1.154 . . . . 73.42 109.317 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 2.8 ttmp? -114.83 111.81 21.79 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.504 1.128 . . . . 72.43 109.289 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' TYR . . . . . 0.559 ' CD1' ' HB2' ' A' ' 60' ' ' LEU . 12.9 p90 -107.58 152.54 24.12 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.483 1.114 . . . . 73.54 110.959 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 34.5 tt0 -75.27 145.46 41.87 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.541 1.151 . . . . 65.52 110.297 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 27.8 p30 -108.41 -179.32 3.84 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.488 1.117 . . . . 74.04 109.334 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . 0.451 ' CA ' ' HG3' ' A' ' 72' ' ' MET . 1.8 pp20? -61.42 -35.36 77.33 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.127 . . . . 74.33 110.304 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 14.5 t0 -64.22 -15.92 60.96 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.502 1.126 . . . . 72.54 109.345 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 86.8 9.51 74.4 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.548 1.155 . . . . 65.35 111.017 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 9.7 m-20 -95.49 175.72 6.45 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.514 0.773 . . . . 64.33 109.277 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . 0.559 ' CD1' ' N ' ' A' ' 57' ' ' PHE . 0.6 OUTLIER -101.07 122.57 43.79 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.505 1.128 . . . . 72.41 111.046 179.971 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . 0.505 HG21 ' CE1' ' A' ' 50' ' ' TYR . 2.0 m -125.43 153.62 33.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.542 1.152 . . . . 73.43 109.296 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 11.3 p -75.7 158.66 5.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.472 1.107 . . . . 72.22 109.315 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.559 ' HB2' ' CD1' ' A' ' 50' ' ' TYR . 0.3 OUTLIER -150.05 114.67 5.26 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.555 1.159 . . . . 72.44 109.318 179.99 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -152.73 22.66 0.81 Allowed Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.458 1.099 . . . . 74.43 111.023 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 10.5 p -150.39 174.06 13.31 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.462 0.743 . . . . 73.24 109.969 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -74.34 -30.03 61.85 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.527 1.142 . . . . 74.3 109.316 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . 0.497 ' O ' ' CG2' ' A' ' 68' ' ' VAL . 34.4 mt-10 -69.02 -16.53 63.74 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.496 1.122 . . . . 75.31 110.304 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 21.9 m-20 -108.33 -17.59 13.96 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.121 . . . . 54.04 109.346 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' TRP . . . . . 0.537 ' CZ2' ' HE3' ' A' ' 70' ' ' LYS . 0.1 OUTLIER -90.62 -23.7 20.74 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.508 1.13 . . . . 75.21 108.031 179.956 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 7.8 t30 -93.71 -46.17 7.36 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.519 1.137 . . . . 64.5 109.304 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . 0.497 ' CG2' ' O ' ' A' ' 64' ' ' GLU . 52.9 t -61.9 -27.14 41.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.496 1.122 . . . . 73.11 109.31 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . 0.523 ' HB3' ' CE2' ' A' ' 50' ' ' TYR . . . -72.11 -39.84 68.61 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.483 1.114 . . . . 73.45 109.283 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . 0.537 ' HE3' ' CZ2' ' A' ' 66' ' ' TRP . 37.0 mttm -63.19 -38.26 90.48 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.539 1.149 . . . . 74.13 109.275 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 72.8 mm-40 -56.74 -28.08 60.48 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.476 1.11 . . . . 73.24 110.329 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' MET . . . . . 0.451 ' HG3' ' CA ' ' A' ' 53' ' ' GLU . 1.0 OUTLIER -69.25 -42.15 75.99 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.514 1.134 . . . . 65.55 110.987 -179.964 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . 0.48 ' CD1' ' O ' ' A' ' 80' ' ' PHE . 0.4 OUTLIER -59.54 -49.38 78.01 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.495 1.122 . . . . 71.04 109.283 179.994 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -62.16 -15.45 46.18 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.496 1.123 . . . . 73.51 109.328 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 24.9 mm-40 -98.0 -26.48 14.62 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.496 1.122 . . . . 71.41 110.332 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' ASN . . . . . 0.442 ' C ' ' N ' ' A' ' 78' ' ' GLU . 2.2 m-80 -94.44 13.74 22.88 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.49 1.119 . . . . 74.02 109.306 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 3.2 m-80 40.47 30.01 0.07 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.503 1.127 . . . . 74.05 109.297 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . 0.442 ' N ' ' C ' ' A' ' 76' ' ' ASN . 15.4 pt-20 -118.69 165.31 14.14 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.466 1.104 . . . . 74.25 110.303 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . 0.408 ' NZ ' ' HB3' ' A' ' 79' ' ' LYS . 1.8 mtmp? -125.44 15.35 8.26 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.52 1.138 . . . . 74.53 109.292 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 80' ' ' PHE . . . . . 0.48 ' O ' ' CD1' ' A' ' 73' ' ' LEU . 6.1 p90 -120.14 152.53 37.5 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.521 1.138 . . . . 74.12 111.013 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 0.406 ' CD2' HD12 ' A' ' 83' ' ' ILE . 0.6 OUTLIER -135.41 169.28 17.73 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.486 1.116 . . . . 72.21 109.317 -179.996 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 82' ' ' ASN . . . . . 0.408 ' C ' ' ND2' ' A' ' 82' ' ' ASN . 1.1 p-10 -140.44 137.22 33.77 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.455 1.097 . . . . 74.31 109.294 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . 0.503 HG13 ' CD2' ' A' ' 7' ' ' PHE . 8.1 mm -129.03 143.59 40.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.468 1.105 . . . . 75.55 109.337 179.943 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 38.7 ttm-85 -118.49 145.02 45.61 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.557 1.16 . . . . 64.21 110.325 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . 0.446 HD21 ' CD1' ' A' ' 45' ' ' ILE . 37.1 mt -130.42 131.06 45.06 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.531 1.144 . . . . 73.13 109.276 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 2.5 t80 . . . . . 0 C--N 1.325 -0.493 0 O-C-N 124.509 1.13 . . . . 72.5 111.04 179.983 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.453 -0.277 0 N-CA-C 109.919 -0.4 . . . . 65.14 109.919 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 18.1 mt -135.27 143.94 35.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.469 1.106 . . . . 74.42 109.318 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 5.1 tp -94.8 142.24 27.7 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.552 1.157 . . . . 74.11 109.327 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . 0.567 ' CE1' HG12 ' A' ' 20' ' ' VAL . 2.3 m-30 -118.49 92.43 3.81 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.566 1.166 . . . . 50.02 111.01 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 4.0 mtt180 -59.14 109.8 0.93 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.52 1.138 . . . . 74.05 110.322 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . 0.506 ' HB ' ' CB ' ' A' ' 16' ' ' PHE . 19.9 mm -86.28 96.95 5.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.454 1.096 . . . . 74.01 109.278 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 38.0 m . . . . . 0 C--N 1.325 -0.493 0 O-C-N 124.541 1.151 . . . . 75.23 110.041 179.973 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 5.4 mm . . . . . 0 N--CA 1.453 -0.283 0 N-CA-C 109.264 -0.643 . . . . 65.41 109.264 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . 0.506 ' CB ' ' HB ' ' A' ' 9' ' ' ILE . 0.1 OUTLIER -141.21 -169.16 2.79 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.495 1.122 . . . . 75.33 110.982 179.956 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 2.0 p -149.8 126.47 11.0 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.468 1.105 . . . . 75.31 110.387 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.415 ' CD2' ' C ' ' A' ' 18' ' ' LEU . 4.5 tt -134.23 124.19 25.54 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.514 1.134 . . . . 72.23 109.303 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -87.04 120.26 28.12 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.524 1.14 . . . . 72.21 109.314 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.567 HG12 ' CE1' ' A' ' 7' ' ' PHE . 9.7 p -125.13 118.21 52.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.548 1.155 . . . . 63.51 109.25 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . 0.546 ' HB2' ' CD1' ' A' ' 24' ' ' TRP . 15.3 mm-40 -65.71 168.66 7.38 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.458 1.099 . . . . 74.12 110.324 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 27.6 mttt -87.5 11.53 14.58 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.469 1.106 . . . . 75.1 109.345 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -111.46 -30.74 2.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.495 1.122 . . . . 65.34 109.295 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' TRP . . . . . 0.546 ' CD1' ' HB2' ' A' ' 21' ' ' GLU . 23.4 m0 -57.41 111.84 1.22 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.538 1.149 . . . . 72.22 107.996 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 10.8 p-10 -72.08 -179.3 2.73 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.467 1.104 . . . . 75.12 109.255 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . 0.415 ' CG ' ' N ' ' A' ' 27' ' ' ASP . 51.7 p90 -51.89 -39.17 58.6 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.506 1.129 . . . . 72.51 111.009 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . 0.415 ' N ' ' CG ' ' A' ' 26' ' ' PHE . 2.0 t70 -60.6 -63.12 1.41 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.428 1.08 . . . . 74.35 109.316 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 14.5 m-20 -54.55 -29.83 52.13 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.529 1.143 . . . . 73.33 109.292 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.453 HD12 ' CD1' ' A' ' 33' ' ' ILE . 0.9 OUTLIER -61.86 -61.51 2.44 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.483 1.114 . . . . 74.45 109.344 -179.996 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 24.3 mm -51.46 -48.19 34.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.476 1.11 . . . . 75.41 109.319 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 12.7 mmm -62.7 -19.3 63.75 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.477 1.111 . . . . 73.24 110.998 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -69.49 -64.15 0.93 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.509 1.131 . . . . 55.2 109.311 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.453 ' CD1' HD12 ' A' ' 29' ' ' LEU . 4.1 mp -59.15 -36.94 65.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.463 1.102 . . . . 74.2 109.287 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 1.3 m-80 -62.63 -14.81 47.49 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.517 1.135 . . . . 62.21 109.326 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 5.5 t -81.57 -39.24 24.88 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.526 1.141 . . . . 74.45 109.978 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -74.18 -40.94 62.2 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.503 1.127 . . . . 74.43 109.273 -179.941 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . 0.459 ' CD1' HG13 ' A' ' 45' ' ' ILE . 0.3 OUTLIER -86.66 -1.56 7.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.496 1.122 . . . . 74.33 109.287 -179.978 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 32.4 t . . . . . 0 C--N 1.325 -0.477 0 O-C-N 124.457 1.098 . . . . 73.1 109.978 -180.0 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 N--CA 1.453 -0.907 0 N-CA-C 110.986 -0.428 . . . . 72.23 110.986 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . 0.459 HG13 ' CD1' ' A' ' 37' ' ' ILE . 1.4 pp -118.95 126.19 75.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.441 1.088 . . . . 63.13 109.3 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 9.8 p -89.86 -12.8 37.97 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.491 1.12 . . . . 64.43 110.4 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 1.4 ptmm? -139.85 122.55 16.38 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.496 1.122 . . . . 74.2 109.307 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 4.2 pt -95.81 155.08 3.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.492 1.12 . . . . 74.41 109.298 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 22.3 mttp -111.91 102.89 11.11 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.569 1.168 . . . . 75.34 109.323 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' TYR . . . . . 0.554 ' CE1' HG21 ' A' ' 58' ' ' VAL . 9.0 p90 -102.04 147.51 26.49 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.518 1.136 . . . . 75.55 110.966 -179.936 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . 0.452 ' O ' ' CD2' ' A' ' 50' ' ' TYR . 58.1 tt0 -70.66 159.07 35.11 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.467 1.104 . . . . 64.12 110.263 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 16.5 p30 -123.12 -174.85 3.04 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.502 1.126 . . . . 65.55 109.3 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . 0.458 ' HB3' ' CG ' ' A' ' 72' ' ' MET . 7.7 pt-20 -68.06 -32.92 73.59 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.47 1.106 . . . . 74.53 110.283 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 28.0 t0 -63.95 -16.47 61.6 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.492 1.12 . . . . 74.33 109.327 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 88.57 6.77 72.95 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.491 1.119 . . . . 74.43 111.009 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -97.95 179.15 4.88 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.5 0.765 . . . . 73.14 109.251 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . 0.53 ' CD1' ' O ' ' A' ' 57' ' ' PHE . 25.2 p90 -103.21 131.22 50.41 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.559 1.162 . . . . 73.12 111.021 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . 0.554 HG21 ' CE1' ' A' ' 50' ' ' TYR . 0.7 OUTLIER -129.72 150.61 34.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.488 1.117 . . . . 75.25 109.294 -179.965 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 3.3 p -78.33 156.85 5.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.504 1.128 . . . . 72.45 109.312 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.433 HD11 ' CB ' ' A' ' 65' ' ' ASP . 0.4 OUTLIER -148.28 115.0 6.02 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.486 1.116 . . . . 73.31 109.279 -179.997 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -154.13 26.92 0.71 Allowed Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.486 1.116 . . . . 55.32 110.996 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 3.3 m -156.76 157.99 36.06 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.547 0.793 . . . . 70.42 110.0 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 6.1 t70 -63.09 -18.23 63.17 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.562 1.164 . . . . 71.32 109.284 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . 0.474 ' O ' ' CG2' ' A' ' 68' ' ' VAL . 4.5 tt0 -79.33 -17.32 54.78 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.473 1.108 . . . . 74.42 110.279 -179.952 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . 0.433 ' CB ' HD11 ' A' ' 60' ' ' LEU . 3.1 m-20 -107.88 -15.94 14.42 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.487 1.117 . . . . 74.24 109.306 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' TRP . . . . . 0.504 ' CE2' ' HE2' ' A' ' 70' ' ' LYS . 0.3 OUTLIER -92.37 -24.17 18.98 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.517 1.136 . . . . 71.52 107.987 179.972 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 7.7 t30 -93.26 -50.95 5.23 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.508 1.13 . . . . 74.33 109.276 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . 0.474 ' CG2' ' O ' ' A' ' 64' ' ' GLU . 72.4 t -59.07 -26.93 34.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.495 1.122 . . . . 75.41 109.283 -179.95 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . 0.438 ' HB1' ' CZ ' ' A' ' 50' ' ' TYR . . . -76.78 -48.87 17.32 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.485 1.115 . . . . 60.51 109.32 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . 0.504 ' HE2' ' CE2' ' A' ' 66' ' ' TRP . 17.6 mtmt -55.76 -44.77 77.94 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.455 1.097 . . . . 73.35 109.304 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 56.4 mm-40 -58.82 -15.89 14.54 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.499 1.124 . . . . 75.32 110.32 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' MET . . . . . 0.458 ' CG ' ' HB3' ' A' ' 53' ' ' GLU . 5.8 tpt -86.14 -22.29 27.12 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.555 1.16 . . . . 75.14 111.031 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . 0.485 ' CD1' ' O ' ' A' ' 80' ' ' PHE . 0.6 OUTLIER -63.0 -60.94 2.77 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.452 1.095 . . . . 74.32 109.298 179.994 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -53.22 -27.71 23.34 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.52 1.138 . . . . 75.13 109.296 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . 0.42 ' HB2' ' CE ' ' A' ' 72' ' ' MET . 5.6 mm-40 -85.46 -25.21 27.06 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.518 1.136 . . . . 72.33 110.303 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' ASN . . . . . 0.437 ' N ' ' O ' ' A' ' 72' ' ' MET . 29.3 m-20 -85.77 -12.34 51.26 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.551 1.157 . . . . 71.35 109.294 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 68.5 m-80 61.04 34.6 19.18 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.573 1.17 . . . . 73.3 109.305 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . 0.417 ' HG3' ' CD1' ' A' ' 73' ' ' LEU . 14.1 pt-20 -116.87 165.25 13.54 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.535 1.147 . . . . 74.23 110.333 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 36.8 mtmt -121.12 16.63 11.58 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.489 1.118 . . . . 73.12 109.3 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 80' ' ' PHE . . . . . 0.485 ' O ' ' CD1' ' A' ' 73' ' ' LEU . 25.4 p90 -144.5 -174.89 4.44 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.493 1.121 . . . . 74.41 110.993 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 0.426 ' CD2' ' N ' ' A' ' 82' ' ' ASN . 5.6 tt -143.98 166.58 24.57 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.512 1.133 . . . . 74.5 109.27 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 82' ' ' ASN . . . . . 0.443 ' C ' ' ND2' ' A' ' 82' ' ' ASN . 1.0 OUTLIER -123.13 113.62 19.23 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.489 1.118 . . . . 74.31 109.29 -179.996 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . 0.465 HG21 ' CD1' ' A' ' 85' ' ' LEU . 42.5 mm -103.03 158.6 4.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.488 1.117 . . . . 74.2 109.331 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 11.4 tpp85 -133.26 127.2 33.15 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.5 1.125 . . . . 74.03 110.317 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . 0.465 ' CD1' HG21 ' A' ' 83' ' ' ILE . 6.7 mp -123.36 110.65 15.42 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.514 1.134 . . . . 73.02 109.302 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 3.9 m-30 . . . . . 0 C--N 1.324 -0.511 0 O-C-N 124.514 1.134 . . . . 74.31 111.028 -179.96 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.453 -0.287 0 N-CA-C 109.995 -0.372 . . . . 71.15 109.995 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . 0.454 ' CD1' HD11 ' A' ' 73' ' ' LEU . 20.7 mt -138.36 150.07 24.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.54 1.15 . . . . 74.32 109.25 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 3.4 tp -103.29 140.46 37.37 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.502 1.126 . . . . 74.53 109.288 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . 0.514 ' CD1' ' CG1' ' A' ' 20' ' ' VAL . 2.4 m-30 -118.41 124.07 46.79 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.489 1.118 . . . . 75.32 110.991 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 42.2 mtp180 -94.5 91.72 6.76 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.481 1.113 . . . . 74.41 110.301 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . 0.452 ' N ' ' O ' ' A' ' 16' ' ' PHE . 5.2 mp -76.99 104.09 4.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.509 1.131 . . . . 75.14 109.35 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 19.3 t . . . . . 0 C--N 1.324 -0.506 0 O-C-N 124.525 1.141 . . . . 74.33 109.978 -179.968 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 1.2 mt . . . . . 0 N--CA 1.453 -0.299 0 N-CA-C 109.335 -0.617 . . . . 72.31 109.335 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . 0.452 ' O ' ' N ' ' A' ' 9' ' ' ILE . 58.6 m-85 -120.88 148.92 43.38 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.518 1.136 . . . . 74.41 111.017 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 35.4 p -96.24 153.08 18.0 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.498 1.124 . . . . 73.55 110.392 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.418 HD22 ' NZ ' ' A' ' 36' ' ' LYS . 2.9 tm? -152.01 106.75 3.23 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.524 1.14 . . . . 72.23 109.268 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.5 ' CD1' ' C ' ' A' ' 19' ' ' LEU . 0.4 OUTLIER -67.64 97.98 0.66 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.512 1.133 . . . . 62.43 109.33 179.947 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.519 ' HA ' ' CZ3' ' A' ' 24' ' ' TRP . 2.6 p -102.62 109.34 26.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.45 1.094 . . . . 71.45 109.318 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . 0.431 ' HB2' ' CD1' ' A' ' 24' ' ' TRP . 9.9 mm-40 -54.55 167.83 0.31 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.541 1.151 . . . . 71.13 110.273 -179.95 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . 0.446 ' HE2' ' CD1' ' A' ' 5' ' ' ILE . 78.6 mttt -88.79 12.49 14.9 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.475 1.109 . . . . 55.22 109.313 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . 0.413 ' CG1' ' HB3' ' A' ' 21' ' ' GLU . 0.4 OUTLIER -110.34 -26.2 3.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.509 1.131 . . . . 74.31 109.334 179.994 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' TRP . . . . . 0.519 ' CZ3' ' HA ' ' A' ' 20' ' ' VAL . 28.2 m0 -60.78 91.84 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 107.952 -1.129 . . . . 74.22 107.952 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . 0.414 ' OD1' ' N ' ' A' ' 25' ' ' ASN . 5.4 p-10 -51.9 178.84 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.497 1.123 . . . . 71.41 109.31 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . 0.592 ' CZ ' ' O ' ' A' ' 61' ' ' GLY . 0.7 OUTLIER -52.52 -34.68 50.89 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.529 1.143 . . . . 75.11 111.023 -179.998 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 11.3 t0 -69.64 -64.19 0.93 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.498 1.124 . . . . 72.03 109.336 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 60.7 m-20 -49.12 -31.72 8.62 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.503 1.127 . . . . 74.25 109.336 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.459 HD11 ' CD1' ' A' ' 33' ' ' ILE . 2.1 tp -62.72 -60.76 3.05 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.536 1.148 . . . . 74.31 109.29 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 25.3 mm -54.87 -32.24 26.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.495 1.122 . . . . 75.15 109.314 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 19.4 mmm -79.54 -22.31 44.03 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.439 1.087 . . . . 73.44 110.961 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -68.24 -55.44 12.19 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.449 1.093 . . . . 50.42 109.253 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.459 ' CD1' HD11 ' A' ' 29' ' ' LEU . 3.8 mp -67.05 -43.18 89.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.473 1.108 . . . . 73.21 109.287 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 1.4 m-80 -57.09 -18.57 15.09 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.498 1.124 . . . . 75.12 109.325 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 5.0 t -80.24 -43.04 22.1 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.481 1.113 . . . . 72.12 109.966 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . 0.418 ' NZ ' HD22 ' A' ' 18' ' ' LEU . 5.8 mptt -69.52 -44.91 70.06 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.515 1.135 . . . . 71.25 109.278 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . 0.467 ' CD1' HG13 ' A' ' 45' ' ' ILE . 0.6 OUTLIER -78.05 -0.57 3.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.522 1.139 . . . . 75.35 109.337 179.981 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 19.9 t . . . . . 0 C--N 1.325 -0.466 0 O-C-N 124.486 1.116 . . . . 74.13 109.951 -179.992 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 N--CA 1.452 -0.912 0 N-CA-C 111.04 -0.408 . . . . 75.24 111.04 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . 0.467 HG13 ' CD1' ' A' ' 37' ' ' ILE . 1.3 pp -135.21 136.58 51.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.495 1.122 . . . . 71.34 109.262 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 57.0 p -104.86 -20.27 13.63 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.45 1.094 . . . . 74.34 110.357 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 8.1 mtmm -112.85 124.73 53.27 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.472 1.107 . . . . 72.04 109.31 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . 0.414 ' O ' ' N ' ' A' ' 60' ' ' LEU . 15.0 pt -123.32 130.59 74.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.484 1.115 . . . . 75.13 109.295 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 16.5 ttmt -97.17 103.72 15.68 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.491 1.12 . . . . 74.24 109.332 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' TYR . . . . . 0.504 ' CE1' HG23 ' A' ' 58' ' ' VAL . 9.4 p90 -97.39 147.71 23.92 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.492 1.12 . . . . 75.54 110.988 -179.954 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 40.7 tt0 -76.2 158.48 31.62 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.443 1.09 . . . . 71.12 110.249 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 8.0 t0 -122.71 -174.04 2.83 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.473 1.108 . . . . 65.11 109.284 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . 0.484 ' CB ' ' OD1' ' A' ' 76' ' ' ASN . 1.8 pp20? -69.87 -37.95 76.24 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.506 1.129 . . . . 75.35 110.294 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 33.3 t70 -58.64 -17.8 25.24 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.475 1.11 . . . . 74.54 109.297 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 89.59 5.07 72.35 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.491 1.119 . . . . 72.33 110.997 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 4.4 t70 -101.31 148.03 25.62 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.511 0.771 . . . . 75.22 109.315 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . 0.433 ' CD1' ' O ' ' A' ' 57' ' ' PHE . 10.2 p90 -76.22 144.73 40.23 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.499 1.124 . . . . 75.55 110.995 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . 0.504 HG23 ' CE1' ' A' ' 50' ' ' TYR . 0.1 OUTLIER -141.36 146.94 22.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.471 1.107 . . . . 65.51 109.342 179.957 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 9.2 p -72.87 154.32 7.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.53 1.144 . . . . 73.04 109.28 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.447 ' HB2' ' CD1' ' A' ' 50' ' ' TYR . 2.5 tp -143.25 118.48 10.17 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.499 1.125 . . . . 64.54 109.326 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . 0.592 ' O ' ' CZ ' ' A' ' 26' ' ' PHE . . . -158.05 27.59 0.45 Allowed Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.535 1.147 . . . . 71.25 110.992 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -159.63 152.28 21.43 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.558 0.799 . . . . 74.04 110.027 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 22.5 t70 -66.26 -21.97 66.3 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.488 1.118 . . . . 72.43 109.326 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . 0.47 ' O ' ' CG2' ' A' ' 68' ' ' VAL . 3.2 tp10 -74.75 -14.83 60.76 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.545 1.153 . . . . 64.12 110.34 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 9.4 t0 -109.72 -17.22 13.74 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.508 1.13 . . . . 74.33 109.294 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' TRP . . . . . 0.596 ' O ' ' CE3' ' A' ' 66' ' ' TRP . 3.5 t-105 -92.53 -23.7 19.0 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.541 1.15 . . . . 75.51 107.996 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 7.7 t30 -93.91 -35.29 12.74 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.49 1.119 . . . . 72.31 109.268 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . 0.47 ' CG2' ' O ' ' A' ' 64' ' ' GLU . 29.2 t -72.89 -20.91 19.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.512 1.133 . . . . 74.53 109.29 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . 0.433 ' O ' ' CB ' ' A' ' 72' ' ' MET . . . -83.3 -47.43 11.51 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.47 1.107 . . . . 61.51 109.291 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . 0.558 ' HG3' ' CZ3' ' A' ' 66' ' ' TRP . 37.1 mtmt -48.9 -56.46 8.75 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.504 1.127 . . . . 73.02 109.332 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 11.1 mt-10 -45.51 -26.78 0.63 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.487 1.117 . . . . 62.51 110.303 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' MET . . . . . 0.433 ' CB ' ' O ' ' A' ' 69' ' ' ALA . 17.0 tpp -72.16 -39.43 68.71 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.465 1.103 . . . . 72.21 111.018 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . 0.454 HD11 ' CD1' ' A' ' 5' ' ' ILE . 6.8 mt -45.47 -50.67 12.49 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.557 1.161 . . . . 74.05 109.304 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -54.75 -39.99 68.88 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.518 1.136 . . . . 62.31 109.282 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 65.9 mt-10 -77.17 -18.91 57.45 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.527 1.142 . . . . 75.11 110.299 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' ASN . . . . . 0.497 ' CB ' ' OE1' ' A' ' 78' ' ' GLU . 63.0 m-20 -91.61 -13.33 32.11 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.475 1.109 . . . . 75.2 109.261 -179.949 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' ASN . . . . . 0.41 ' N ' HD21 ' A' ' 77' ' ' ASN . 1.9 m-80 60.51 32.67 20.54 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.526 1.141 . . . . 75.15 109.275 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . 0.497 ' OE1' ' CB ' ' A' ' 76' ' ' ASN . 10.2 pt-20 -114.42 162.75 16.26 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.498 1.124 . . . . 71.51 110.316 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -121.78 24.55 9.64 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.497 1.123 . . . . 75.42 109.344 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 11.4 p90 -153.5 -177.33 6.28 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.482 1.114 . . . . 73.41 111.003 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 0.481 ' CD2' ' N ' ' A' ' 82' ' ' ASN . 10.1 tt -142.02 167.87 21.1 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.492 1.12 . . . . 73.24 109.279 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 82' ' ' ASN . . . . . 0.481 ' N ' ' CD2' ' A' ' 81' ' ' LEU . 0.9 OUTLIER -123.24 112.89 18.2 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.537 1.148 . . . . 73.13 109.304 179.978 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . 0.462 HG13 ' CD2' ' A' ' 7' ' ' PHE . 14.5 mm -99.77 158.35 3.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.462 1.101 . . . . 74.25 109.293 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 3.2 tpp85 -141.72 148.04 38.39 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.471 1.107 . . . . 74.45 110.336 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . 0.461 ' CD2' HG12 ' A' ' 45' ' ' ILE . 33.2 mt -136.85 125.35 23.56 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.49 1.119 . . . . 75.44 109.282 -179.942 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 3.3 m-85 . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.558 1.161 . . . . 74.22 111.001 179.99 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 4' ' ' SER . . . . . 0.437 ' CB ' HD12 ' A' ' 19' ' ' LEU . 1.0 OUTLIER . . . . . 0 N--CA 1.453 -0.323 0 N-CA-C 109.977 -0.379 . . . . 72.44 109.977 . . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . 0.469 ' CD1' ' HE2' ' A' ' 22' ' ' LYS . 16.1 mt -121.55 147.35 25.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.5 1.125 . . . . 74.3 109.294 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 3.8 tp -90.52 139.99 30.17 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.488 1.118 . . . . 73.45 109.284 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . 0.497 ' CD1' HG13 ' A' ' 20' ' ' VAL . 1.8 m-85 -129.39 111.02 12.39 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.533 1.146 . . . . 74.52 110.964 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . 0.471 ' CD ' ' CG2' ' A' ' 17' ' ' THR . 46.3 mmm-85 -88.19 119.09 28.25 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.512 1.133 . . . . 74.31 110.316 179.944 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . 0.467 ' CG2' HD22 ' A' ' 85' ' ' LEU . 4.3 mp -95.93 80.64 1.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.45 1.094 . . . . 73.44 109.298 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' SER . . . . . 0.47 ' OG ' ' CG2' ' A' ' 15' ' ' ILE . 19.9 m . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.495 1.122 . . . . 73.02 109.971 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . 0.572 ' N ' ' CD1' ' A' ' 15' ' ' ILE . 1.7 mp . . . . . 0 N--CA 1.452 -0.331 0 N-CA-C 109.339 -0.615 . . . . 73.51 109.339 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 7.8 t80 -128.68 177.71 6.85 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.482 1.114 . . . . 73.52 110.993 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' THR . . . . . 0.471 ' CG2' ' CD ' ' A' ' 8' ' ' ARG . 19.7 p -131.63 146.16 52.06 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.45 1.094 . . . . 64.43 110.375 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 7.1 tt -150.26 124.58 9.52 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.539 1.149 . . . . 75.23 109.295 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.437 HD12 ' CB ' ' A' ' 4' ' ' SER . 0.2 OUTLIER -82.94 114.74 21.43 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.502 1.126 . . . . 73.04 109.313 -179.976 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.497 HG13 ' CD1' ' A' ' 7' ' ' PHE . 8.3 p -122.03 122.58 67.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.513 1.133 . . . . 71.51 109.32 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . 0.565 ' HB2' ' CD1' ' A' ' 24' ' ' TRP . 23.5 mt-10 -63.41 168.99 4.03 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.463 1.102 . . . . 75.45 110.269 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . 0.469 ' HE2' ' CD1' ' A' ' 5' ' ' ILE . 1.0 OUTLIER -87.94 10.2 19.64 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.503 1.127 . . . . 74.44 109.288 -179.998 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -111.19 -18.49 7.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.501 1.125 . . . . 75.33 109.307 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' TRP . . . . . 0.565 ' CD1' ' HB2' ' A' ' 21' ' ' GLU . 22.5 m0 -72.34 86.63 1.12 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.502 1.127 . . . . 75.22 108.016 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . 0.521 ' HA ' ' CE2' ' A' ' 66' ' ' TRP . 8.3 p-10 -52.71 175.89 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.522 1.139 . . . . 74.32 109.295 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 8.3 p90 -47.35 -30.75 3.41 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.453 1.096 . . . . 70.42 111.026 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 19.2 t70 -65.49 -69.29 0.3 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.516 1.135 . . . . 62.42 109.348 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . 0.45 ' O ' ' N ' ' A' ' 32' ' ' ALA . 24.5 m-20 -51.22 -30.28 16.88 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.508 1.13 . . . . 73.32 109.299 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.491 HD12 ' CE2' ' A' ' 7' ' ' PHE . 1.5 tp -61.19 -57.55 11.99 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.494 1.121 . . . . 74.33 109.283 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 17.8 mm -57.81 -29.69 35.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.467 1.105 . . . . 75.32 109.29 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 7.1 mmt -82.89 -21.98 34.1 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.505 1.128 . . . . 75.42 111.013 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . 0.45 ' N ' ' O ' ' A' ' 28' ' ' ASP . . . -68.99 -49.99 52.9 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.51 1.131 . . . . 62.4 109.343 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.444 ' CG1' HG12 ' A' ' 9' ' ' ILE . 3.1 mp -70.23 -40.43 78.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.475 1.109 . . . . 72.32 109.308 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 1.6 m-80 -64.56 -15.45 61.03 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.478 1.111 . . . . 74.11 109.305 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 1.5 t -85.52 -45.87 11.38 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.534 1.147 . . . . 75.2 109.994 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -67.17 -51.53 52.61 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.513 1.133 . . . . 72.41 109.334 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 1.8 pt -63.19 -16.01 16.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.482 1.114 . . . . 73.32 109.269 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 2.3 t . . . . . 0 C--N 1.324 -0.508 0 O-C-N 124.536 1.147 . . . . 63.01 109.976 -179.983 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 N--CA 1.453 -0.858 0 N-CA-C 111.04 -0.408 . . . . 73.53 111.04 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . 0.458 HG12 ' CD2' ' A' ' 85' ' ' LEU . 1.1 pp -129.93 165.03 31.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 74.44 109.307 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 73.9 p -130.83 5.96 4.64 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.49 1.119 . . . . 71.43 110.444 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 31.0 mtpt -136.38 141.11 43.66 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.54 1.15 . . . . 74.54 109.256 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . 0.43 ' CD1' HD13 ' A' ' 29' ' ' LEU . 19.0 pt -138.67 126.55 28.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.511 1.132 . . . . 74.05 109.271 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 1.3 ttmp? -98.94 106.72 19.01 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.482 1.114 . . . . 74.5 109.264 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' TYR . . . . . 0.51 ' CZ ' ' HB1' ' A' ' 69' ' ' ALA . 8.2 p90 -99.46 149.74 22.9 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.542 1.151 . . . . 70.41 111.011 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . 0.456 ' O ' ' CD2' ' A' ' 50' ' ' TYR . 33.6 tt0 -62.74 144.49 56.36 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.544 1.153 . . . . 72.01 110.282 -179.933 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . 0.409 ' HB2' ' CG2' ' A' ' 58' ' ' VAL . 12.5 t0 -105.15 177.13 4.94 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.478 1.111 . . . . 72.22 109.274 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 2.2 pm0 -63.21 -27.12 69.14 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.424 1.078 . . . . 71.43 110.29 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 4.0 t70 -89.34 14.73 10.46 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.532 1.145 . . . . 70.11 109.316 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 59.98 18.64 48.23 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.448 1.093 . . . . 70.54 111.011 -179.934 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -102.02 129.04 48.22 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.504 0.767 . . . . 74.42 109.293 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . 0.455 ' CD1' ' O ' ' A' ' 57' ' ' PHE . 12.7 p90 -57.61 120.45 8.36 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.522 1.139 . . . . 65.34 110.976 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . 0.5 HG23 ' CE1' ' A' ' 50' ' ' TYR . 0.2 OUTLIER -122.19 145.82 28.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.536 1.148 . . . . 75.43 109.3 179.957 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 11.5 t -72.74 154.71 7.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.537 1.148 . . . . 74.22 109.28 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.498 ' CD1' ' C ' ' A' ' 60' ' ' LEU . 0.3 OUTLIER -150.47 120.51 7.19 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.471 1.107 . . . . 74.51 109.309 179.993 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -159.75 26.72 0.34 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.522 1.139 . . . . 64.52 110.998 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 5.3 m -151.24 171.15 17.87 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.453 0.737 . . . . 74.41 110.001 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 8.8 t70 -70.84 -25.67 62.93 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.497 1.123 . . . . 75.41 109.329 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . 0.495 ' O ' ' CG2' ' A' ' 68' ' ' VAL . 16.4 pt-20 -70.72 -36.72 73.35 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.505 1.128 . . . . 70.04 110.321 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . 0.451 ' O ' ' CB ' ' A' ' 69' ' ' ALA . 4.1 m-20 -86.81 -9.53 55.6 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.456 1.098 . . . . 74.01 109.323 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' TRP . . . . . 0.576 ' CZ3' ' OD1' ' A' ' 67' ' ' ASN . 8.9 t90 -96.84 -22.58 16.83 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.499 1.125 . . . . 75.43 108.008 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . 0.576 ' OD1' ' CZ3' ' A' ' 66' ' ' TRP . 26.3 m-20 -98.32 -44.22 6.63 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.46 1.1 . . . . 73.41 109.308 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . 0.495 ' CG2' ' O ' ' A' ' 64' ' ' GLU . 51.8 t -72.45 -6.07 7.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.499 1.124 . . . . 55.12 109.328 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . 0.51 ' HB1' ' CZ ' ' A' ' 50' ' ' TYR . . . -96.41 -24.71 16.01 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.491 1.12 . . . . 52.24 109.241 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . 0.561 ' HE3' ' CZ2' ' A' ' 66' ' ' TRP . 32.4 mttm -75.32 -36.21 61.11 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.496 1.123 . . . . 73.31 109.305 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -56.33 -31.66 63.94 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.506 1.129 . . . . 74.22 110.3 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' MET . . . . . 0.448 ' O ' ' N ' ' A' ' 76' ' ' ASN . 2.5 ttt -64.77 -46.98 79.85 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.555 1.159 . . . . 73.34 110.981 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . 0.42 HD22 ' CG ' ' A' ' 78' ' ' GLU . 6.3 mt -49.29 -45.13 44.75 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.534 1.146 . . . . 74.43 109.256 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -65.71 -34.29 77.85 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.456 1.097 . . . . 74.11 109.316 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 -78.63 -18.82 53.91 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.527 1.142 . . . . 73.1 110.307 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' ASN . . . . . 0.501 ' N ' HD21 ' A' ' 76' ' ' ASN . 1.4 m-80 -102.48 15.22 29.86 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.563 1.165 . . . . 73.34 109.319 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 49.7 m-80 40.96 29.61 0.08 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.503 1.127 . . . . 74.13 109.285 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . 0.589 ' OE1' ' CE2' ' A' ' 80' ' ' PHE . 13.5 pt-20 -117.79 161.48 19.65 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.529 1.143 . . . . 73.01 110.313 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 7.8 mtmp? -124.14 25.35 7.87 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.461 1.101 . . . . 73.33 109.313 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 80' ' ' PHE . . . . . 0.589 ' CE2' ' OE1' ' A' ' 78' ' ' GLU . 8.2 p90 -133.17 166.72 21.8 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.531 1.144 . . . . 73.43 110.98 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 0.469 HD11 ' CZ ' ' A' ' 7' ' ' PHE . 8.4 tt -134.02 172.26 13.07 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.535 1.147 . . . . 74.34 109.276 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 82' ' ' ASN . . . . . 0.462 ' N ' ' CD2' ' A' ' 81' ' ' LEU . 0.9 OUTLIER -144.49 111.39 5.8 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.511 1.132 . . . . 73.4 109.305 179.978 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . 0.454 ' CD1' HD21 ' A' ' 81' ' ' LEU . 31.5 mm -93.46 157.54 2.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.48 1.112 . . . . 74.13 109.239 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 7.4 tpp180 -140.06 110.02 6.46 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.561 1.163 . . . . 73.24 110.309 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . 0.467 HD22 ' CG2' ' A' ' 9' ' ' ILE . 4.2 mp -89.66 137.37 32.39 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.541 1.15 . . . . 72.03 109.316 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 86' ' ' TYR . . . . . 0.403 ' C ' ' O ' ' A' ' 85' ' ' LEU . 29.0 m-85 . . . . . 0 C--N 1.325 -0.495 0 O-C-N 124.441 1.088 . . . . 73.53 110.966 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 2.5 m . . . . . 0 N--CA 1.454 -0.264 0 N-CA-C 109.992 -0.373 . . . . 72.31 109.992 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . 0.444 ' CD1' ' HE2' ' A' ' 22' ' ' LYS . 17.2 mt -125.61 149.53 30.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.525 1.14 . . . . 70.04 109.319 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 7.9 tt -104.3 148.89 25.86 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.436 1.085 . . . . 74.32 109.341 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . 0.579 ' CE2' ' CD1' ' A' ' 29' ' ' LEU . 2.0 m-30 -119.62 95.59 4.84 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.537 1.148 . . . . 75.0 110.997 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 62.4 ttp85 -75.72 64.97 1.81 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.487 1.117 . . . . 74.54 110.296 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 2.7 mt -48.36 163.87 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.513 1.133 . . . . 74.22 109.32 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' SER . . . . . 0.498 ' OG ' ' CD1' ' A' ' 15' ' ' ILE . 5.6 t . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.497 1.123 . . . . 62.52 109.963 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . 0.498 ' CD1' ' OG ' ' A' ' 10' ' ' SER . 11.6 mm . . . . . 0 N--CA 1.454 -0.269 0 N-CA-C 109.288 -0.634 . . . . 73.04 109.288 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 97.2 m-85 -126.27 165.92 18.07 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.507 1.13 . . . . 71.54 110.982 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 4.1 p -134.2 133.73 41.26 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.462 1.102 . . . . 74.44 110.376 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 2.1 tm? -133.89 113.86 12.68 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.512 1.133 . . . . 72.25 109.314 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.486 ' CD1' ' C ' ' A' ' 19' ' ' LEU . 0.2 OUTLIER -75.17 101.83 4.74 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.532 1.145 . . . . 74.11 109.26 -179.989 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.55 HG23 ' CE3' ' A' ' 24' ' ' TRP . 4.6 p -101.0 153.64 4.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.542 1.151 . . . . 63.43 109.281 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . 0.559 ' HB2' ' CD1' ' A' ' 24' ' ' TRP . 18.0 mm-40 -90.75 167.79 12.23 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.483 1.114 . . . . 72.45 110.314 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . 0.444 ' HE2' ' CD1' ' A' ' 5' ' ' ILE . 0.2 OUTLIER -89.69 15.67 9.2 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.471 1.107 . . . . 75.12 109.284 -179.977 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -116.1 -38.78 2.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.53 1.144 . . . . 65.12 109.351 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' TRP . . . . . 0.559 ' CD1' ' HB2' ' A' ' 21' ' ' GLU . 7.7 m0 -56.32 96.77 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.559 1.162 . . . . 74.3 108.009 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . 0.501 ' HA ' ' CE2' ' A' ' 66' ' ' TRP . 17.3 p-10 -55.89 174.29 0.12 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.442 1.089 . . . . 73.24 109.299 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 31.8 p90 -53.46 -24.36 12.69 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.531 1.145 . . . . 74.24 111.019 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -72.57 -70.27 0.36 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.439 1.087 . . . . 65.4 109.304 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 33.8 m-20 -57.34 -20.8 31.2 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.484 1.115 . . . . 72.44 109.304 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.579 ' CD1' ' CE2' ' A' ' 7' ' ' PHE . 4.5 tp -71.18 -59.51 2.73 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.496 1.123 . . . . 74.14 109.269 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 17.7 mm -49.15 -44.21 16.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.551 1.157 . . . . 73.44 109.305 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 5.3 mmt -68.46 -23.76 64.63 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.512 1.133 . . . . 74.34 110.957 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -65.72 -56.5 11.71 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.479 1.112 . . . . 75.25 109.332 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 5.2 mp -65.21 -45.22 94.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.519 1.137 . . . . 74.25 109.256 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 1.2 m-80 -53.5 -21.69 6.75 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.495 1.122 . . . . 71.32 109.315 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 8.4 t -75.36 -40.4 58.18 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.52 1.137 . . . . 75.31 109.966 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 1.1 mptp? -70.06 -47.59 61.33 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.468 1.105 . . . . 73.43 109.277 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . 0.452 ' CD1' ' CD1' ' A' ' 45' ' ' ILE . 0.6 OUTLIER -78.09 -6.08 8.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.449 1.093 . . . . 75.21 109.321 179.978 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 34.4 t . . . . . 0 C--N 1.324 -0.511 0 O-C-N 124.553 1.158 . . . . 71.52 109.977 -179.962 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 N--CA 1.453 -0.863 0 N-CA-C 111.037 -0.409 . . . . 75.31 111.037 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . 0.458 ' CD1' ' O ' ' A' ' 45' ' ' ILE . 1.5 pp -128.68 112.36 25.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.532 1.145 . . . . 70.43 109.296 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 1.6 t -81.6 -10.71 59.36 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.488 1.117 . . . . 54.31 110.394 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 11.1 pttt -127.71 134.72 49.57 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.478 1.111 . . . . 74.33 109.305 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . 0.455 ' HB ' ' CG2' ' A' ' 83' ' ' ILE . 12.1 pt -121.08 176.1 4.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.533 1.145 . . . . 74.12 109.219 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . 0.418 ' HD3' ' CB ' ' A' ' 57' ' ' PHE . 12.9 tttt -134.48 104.82 6.26 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.516 1.135 . . . . 64.21 109.291 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' TYR . . . . . 0.557 ' CE2' ' HB3' ' A' ' 69' ' ' ALA . 8.3 p90 -99.53 146.88 25.91 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.494 1.121 . . . . 73.53 111.013 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 46.5 tt0 -67.9 136.74 54.49 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.479 1.112 . . . . 71.33 110.268 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . 0.417 ' HB2' ' CG2' ' A' ' 58' ' ' VAL . 11.0 t0 -97.81 -172.12 2.31 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.484 1.115 . . . . 63.13 109.303 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 1.2 pp20? -69.93 -35.85 74.86 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.518 1.137 . . . . 74.45 110.279 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 23.0 t0 -62.12 -15.39 45.26 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.465 1.103 . . . . 72.33 109.336 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 91.01 0.04 75.16 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.466 1.104 . . . . 72.34 111.003 -180.0 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 23.7 t0 -89.98 178.77 6.12 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.457 0.74 . . . . 65.34 109.3 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . 0.418 ' CB ' ' HD3' ' A' ' 49' ' ' LYS . 3.9 m-85 -100.69 125.2 47.1 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.499 1.124 . . . . 74.13 111.01 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . 0.491 HG22 ' CE1' ' A' ' 50' ' ' TYR . 0.2 OUTLIER -122.8 145.08 30.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.489 1.118 . . . . 74.21 109.338 179.981 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 2.8 p -74.21 141.27 16.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.477 1.111 . . . . 73.04 109.269 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.508 ' HB2' ' CD1' ' A' ' 50' ' ' TYR . 0.6 OUTLIER -130.68 109.72 10.84 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.56 1.162 . . . . 71.34 109.289 -179.999 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -148.37 23.02 1.38 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.468 1.105 . . . . 64.22 111.039 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 1.4 p -149.03 173.66 13.14 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.479 0.752 . . . . 72.12 109.965 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . 0.442 ' O ' ' N ' ' A' ' 67' ' ' ASN . 0.6 OUTLIER -71.43 -28.96 64.34 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.484 1.115 . . . . 70.44 109.306 179.995 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . 0.456 ' O ' ' CG2' ' A' ' 68' ' ' VAL . 4.1 tt0 -67.76 -38.73 83.85 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.565 1.166 . . . . 72.13 110.293 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 -85.83 -15.02 43.25 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.569 1.168 . . . . 75.11 109.318 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' TRP . . . . . 0.595 ' CZ3' ' OD1' ' A' ' 67' ' ' ASN . 5.9 t90 -93.9 -22.93 18.31 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.557 1.161 . . . . 75.4 108.016 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . 0.595 ' OD1' ' CZ3' ' A' ' 66' ' ' TRP . 52.6 m-20 -93.99 -50.06 5.49 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.471 1.107 . . . . 73.4 109.322 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . 0.456 ' CG2' ' O ' ' A' ' 64' ' ' GLU . 91.0 t -61.62 -22.36 27.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.467 1.105 . . . . 55.21 109.281 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . 0.557 ' HB3' ' CE2' ' A' ' 50' ' ' TYR . . . -75.09 -29.97 60.78 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.47 1.107 . . . . 75.33 109.273 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 6.8 mtmp? -72.7 -56.82 4.72 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.49 1.119 . . . . 75.34 109.324 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -52.54 -20.54 3.04 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.504 1.127 . . . . 74.43 110.33 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' MET . . . . . 0.411 ' HG2' ' ND2' ' A' ' 76' ' ' ASN . 13.2 ttp -75.3 -33.27 61.18 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.48 1.112 . . . . 72.31 110.983 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . 0.466 HD21 ' CD1' ' A' ' 81' ' ' LEU . 0.3 OUTLIER -55.8 -60.43 3.47 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.524 1.14 . . . . 72.42 109.296 179.996 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -53.56 -20.93 5.62 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.556 1.16 . . . . 73.23 109.306 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 43.0 mt-10 -88.21 -26.69 22.25 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.51 1.131 . . . . 75.33 110.329 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 76' ' ' ASN . . . . . 0.56 ' N ' HD21 ' A' ' 76' ' ' ASN . 1.0 OUTLIER -93.54 7.1 45.94 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.509 1.13 . . . . 71.53 109.308 -179.981 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 36.5 m-80 40.42 34.18 0.22 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.502 1.126 . . . . 74.14 109.293 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 9.6 pt-20 -108.86 169.66 8.53 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.47 1.106 . . . . 72.22 110.346 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 36.2 mmtt -122.81 17.8 10.22 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.505 1.128 . . . . 75.13 109.316 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 13.6 p90 -155.78 167.14 31.35 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.501 1.126 . . . . 61.32 110.988 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 0.466 ' CD1' HD21 ' A' ' 73' ' ' LEU . 3.6 tt -127.76 168.73 14.71 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.487 1.117 . . . . 73.34 109.318 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 2.2 t30 -131.73 140.46 49.26 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.511 1.132 . . . . 74.44 109.295 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . 0.573 HG13 ' CD2' ' A' ' 7' ' ' PHE . 19.6 mm -129.84 145.25 35.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.495 1.122 . . . . 74.51 109.325 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 53.1 ttt180 -121.98 154.79 36.74 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.496 1.122 . . . . 75.5 110.29 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . 0.425 ' N ' ' O ' ' A' ' 10' ' ' SER . 3.0 mm? -136.78 136.48 38.93 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.47 1.106 . . . . 74.25 109.318 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 2.0 t80 . . . . . 0 C--N 1.324 -0.503 0 O-C-N 124.469 1.105 . . . . 73.14 111.007 179.996 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 4' ' ' SER . . . . . 0.411 ' CB ' HD13 ' A' ' 19' ' ' LEU . 0.8 OUTLIER . . . . . 0 N--CA 1.452 -0.338 0 N-CA-C 110.022 -0.362 . . . . 75.15 110.022 . . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 15.1 mt -139.38 146.25 25.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.497 1.123 . . . . 73.12 109.246 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . 0.438 ' CD1' ' N ' ' A' ' 7' ' ' PHE . 3.2 tm? -91.58 147.89 22.68 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.531 1.144 . . . . 72.15 109.284 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . 0.538 ' CD1' ' HB3' ' A' ' 81' ' ' LEU . 1.6 m-85 -127.3 118.8 24.9 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.529 1.143 . . . . 74.32 111.012 179.944 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . 0.541 ' NH1' ' CG2' ' A' ' 17' ' ' THR . 18.0 mmt180 -88.6 119.44 29.07 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.476 1.11 . . . . 74.24 110.333 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . 0.453 HD11 ' CG1' ' A' ' 33' ' ' ILE . 4.1 mm -100.08 93.31 2.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.533 1.145 . . . . 72.3 109.268 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' SER . . . . . 0.461 ' HB3' ' CD1' ' A' ' 15' ' ' ILE . 1.6 p . . . . . 0 C--N 1.325 -0.465 0 O-C-N 124.499 1.125 . . . . 74.2 110.036 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . 0.461 ' CD1' ' HB3' ' A' ' 10' ' ' SER . 2.2 mm . . . . . 0 N--CA 1.452 -0.338 0 N-CA-C 109.326 -0.62 . . . . 74.32 109.326 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . 0.432 ' CB ' ' HB ' ' A' ' 9' ' ' ILE . 0.1 OUTLIER -109.7 -174.25 2.45 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.476 1.11 . . . . 73.25 111.026 -180.0 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' THR . . . . . 0.541 ' CG2' ' NH1' ' A' ' 8' ' ' ARG . 2.2 p -139.7 126.53 20.75 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.499 1.125 . . . . 65.14 110.377 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -137.86 114.94 10.85 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.53 1.144 . . . . 74.22 109.325 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.411 HD13 ' CB ' ' A' ' 4' ' ' SER . 0.2 OUTLIER -78.41 112.46 15.46 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.536 1.148 . . . . 72.53 109.273 -179.986 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 10.2 p -119.57 130.2 74.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.512 1.132 . . . . 74.54 109.272 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . 0.569 ' HB2' ' CD1' ' A' ' 24' ' ' TRP . 11.6 mt-10 -69.66 167.31 17.25 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.532 1.145 . . . . 71.24 110.296 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . 0.415 ' O ' ' NZ ' ' A' ' 70' ' ' LYS . 8.7 mtpt -87.88 12.07 14.06 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.53 1.144 . . . . 74.02 109.327 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . 0.41 ' CG1' ' HB3' ' A' ' 21' ' ' GLU . 0.2 OUTLIER -112.24 -32.92 2.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.457 1.098 . . . . 71.5 109.247 -179.976 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' TRP . . . . . 0.569 ' CD1' ' HB2' ' A' ' 21' ' ' GLU . 21.5 m0 -55.9 102.73 0.08 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.485 1.116 . . . . 75.14 108.012 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . 0.518 ' HA ' ' CE2' ' A' ' 66' ' ' TRP . 6.0 p-10 -65.25 179.68 0.71 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.528 1.142 . . . . 73.33 109.291 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . 0.627 ' CD1' ' N ' ' A' ' 27' ' ' ASP . 18.3 p90 -47.76 -43.95 27.8 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.47 1.106 . . . . 75.54 110.961 -179.959 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . 0.627 ' N ' ' CD1' ' A' ' 26' ' ' PHE . 26.9 t70 -61.29 -58.89 6.43 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.517 1.135 . . . . 74.53 109.311 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 19.8 t0 -59.45 -20.62 56.58 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.486 1.116 . . . . 73.54 109.282 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.464 HD23 ' CD2' ' A' ' 60' ' ' LEU . 1.7 tp -73.01 -59.41 2.72 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.481 1.113 . . . . 73.14 109.308 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 18.8 mm -49.55 -46.71 20.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.516 1.135 . . . . 74.04 109.282 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 3.4 mmt -62.5 -25.16 67.87 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.49 1.119 . . . . 64.14 111.018 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -63.12 -61.5 2.33 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.535 1.147 . . . . 73.23 109.284 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.453 ' CG1' HD11 ' A' ' 9' ' ' ILE . 4.4 mp -59.29 -45.2 93.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.479 1.112 . . . . 72.2 109.296 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 1.2 m-80 -52.33 -21.76 3.87 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.484 1.115 . . . . 63.52 109.299 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 5.0 t -77.81 -42.06 35.06 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.489 1.118 . . . . 70.02 110.009 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . 0.416 ' HD2' ' N ' ' A' ' 36' ' ' LYS . 2.2 mptp? -68.63 -36.47 78.67 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.543 1.152 . . . . 75.52 109.267 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . 0.458 ' CD1' HG13 ' A' ' 45' ' ' ILE . 0.6 OUTLIER -89.27 -1.54 9.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.492 1.12 . . . . 74.45 109.282 -179.99 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 38.8 t . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.492 1.12 . . . . 71.04 109.984 -179.974 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 N--CA 1.453 -0.905 0 N-CA-C 110.99 -0.427 . . . . 74.53 110.99 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . 0.473 HG12 ' CD2' ' A' ' 85' ' ' LEU . 1.3 pp -144.83 110.8 1.21 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.525 1.141 . . . . 74.03 109.263 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 11.0 p -86.21 -14.23 44.54 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.507 1.13 . . . . 73.21 110.424 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 1.3 mmmm -113.4 122.15 46.49 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.471 1.107 . . . . 73.42 109.339 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 3.7 pt -125.43 169.09 17.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.519 1.137 . . . . 74.22 109.276 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 26.9 mttp -128.13 107.42 9.79 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.508 1.13 . . . . 74.2 109.307 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' TYR . . . . . 0.542 ' CE2' ' HB2' ' A' ' 69' ' ' ALA . 10.6 p90 -97.46 148.86 22.78 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.512 1.133 . . . . 72.52 111.031 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 50.5 tt0 -77.13 147.57 36.5 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.533 1.145 . . . . 73.41 110.297 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -110.82 -172.84 2.11 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.498 1.124 . . . . 71.11 109.28 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . 0.485 ' CB ' ' OD1' ' A' ' 76' ' ' ASN . 2.0 pp20? -66.6 -31.73 72.6 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.496 1.122 . . . . 73.22 110.272 -179.952 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 5.5 t0 -89.18 14.41 10.94 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.534 1.146 . . . . 74.43 109.332 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 56.52 16.83 17.34 Favored Glycine 0 CA--C 1.531 1.066 0 O-C-N 124.514 1.134 . . . . 75.55 110.976 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 24.4 m-20 -88.87 105.99 18.1 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.511 0.771 . . . . 64.01 109.273 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . 0.432 ' CD1' ' O ' ' A' ' 57' ' ' PHE . 17.2 p90 -50.05 119.19 3.41 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.513 1.133 . . . . 71.32 111.051 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . 0.487 HG23 ' CE1' ' A' ' 50' ' ' TYR . 0.1 OUTLIER -122.75 149.18 26.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.482 1.114 . . . . 74.23 109.31 -179.963 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 7.2 p -74.77 146.85 9.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.53 1.144 . . . . 72.15 109.318 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.5 ' HB2' ' CD1' ' A' ' 50' ' ' TYR . 0.3 OUTLIER -136.35 125.21 24.09 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.475 1.11 . . . . 74.12 109.272 -179.983 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . 0.482 ' N ' ' CD1' ' A' ' 60' ' ' LEU . . . -165.22 29.17 0.21 Allowed Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.51 1.131 . . . . 62.3 111.025 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 75.6 m -158.4 -179.47 8.12 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.513 0.772 . . . . 75.32 110.003 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . 0.572 ' OD1' ' CE3' ' A' ' 66' ' ' TRP . 8.1 t70 -77.45 -29.62 52.92 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.471 1.107 . . . . 64.52 109.292 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . 0.497 ' O ' ' CG2' ' A' ' 68' ' ' VAL . 8.7 pt-20 -67.33 -38.66 85.25 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.546 1.154 . . . . 74.34 110.314 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . 0.42 ' CB ' HD13 ' A' ' 60' ' ' LEU . 10.2 m-20 -84.85 -14.48 47.81 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.512 1.133 . . . . 74.2 109.309 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' TRP . . . . . 0.594 ' CZ3' ' OD1' ' A' ' 67' ' ' ASN . 5.3 t90 -94.26 -23.44 17.86 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.518 1.136 . . . . 64.13 107.995 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . 0.594 ' OD1' ' CZ3' ' A' ' 66' ' ' TRP . 34.7 m-20 -93.2 -51.7 4.89 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.497 1.123 . . . . 71.33 109.262 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . 0.497 ' CG2' ' O ' ' A' ' 64' ' ' GLU . 61.3 t -61.98 -15.09 13.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.131 . . . . 63.41 109.326 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . 0.542 ' HB2' ' CE2' ' A' ' 50' ' ' TYR . . . -89.32 -42.52 11.53 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.485 1.116 . . . . 73.42 109.271 -179.959 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . 0.415 ' NZ ' ' O ' ' A' ' 22' ' ' LYS . 9.3 mtmt -69.85 -59.44 2.93 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.48 1.113 . . . . 74.41 109.284 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 37.4 mt-10 -46.54 -25.88 0.77 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.519 1.137 . . . . 74.14 110.366 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' MET . . . . . 0.447 ' CG ' ' HB3' ' A' ' 53' ' ' GLU . 11.7 tpp -73.79 -41.6 62.15 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.501 1.126 . . . . 71.34 110.988 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . 0.458 HD21 ' CD2' ' A' ' 81' ' ' LEU . 5.9 mt -47.27 -45.16 23.7 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.524 1.14 . . . . 74.34 109.309 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -57.24 -35.12 69.32 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.473 1.108 . . . . 73.12 109.309 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . 0.429 ' N ' ' O ' ' A' ' 72' ' ' MET . 6.0 mm-40 -81.82 -26.04 34.67 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.484 1.115 . . . . 71.33 110.292 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 76' ' ' ASN . . . . . 0.485 ' OD1' ' CB ' ' A' ' 53' ' ' GLU . 81.6 m-20 -83.55 -11.95 56.75 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.481 1.113 . . . . 74.12 109.346 179.949 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 2.8 m-80 60.55 34.65 20.27 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.47 1.106 . . . . 72.0 109.291 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . 0.454 ' HB2' ' CD1' ' A' ' 80' ' ' PHE . 8.9 pt-20 -123.46 147.4 47.21 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.496 1.122 . . . . 75.33 110.293 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 6.0 mmpt? -111.72 35.36 3.7 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.473 1.108 . . . . 73.23 109.305 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 80' ' ' PHE . . . . . 0.454 ' CD1' ' HB2' ' A' ' 78' ' ' GLU . 9.1 p90 -147.37 176.81 9.72 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.519 1.137 . . . . 75.25 111.03 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 0.538 ' HB3' ' CD1' ' A' ' 7' ' ' PHE . 0.5 OUTLIER -142.37 159.62 41.87 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.489 1.118 . . . . 64.34 109.287 -179.973 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 82' ' ' ASN . . . . . 0.439 ' C ' ' ND2' ' A' ' 82' ' ' ASN . 1.0 OUTLIER -133.44 109.58 9.4 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.462 1.102 . . . . 74.02 109.297 179.98 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . 0.533 HG13 ' CD2' ' A' ' 7' ' ' PHE . 27.6 mm -104.71 156.06 6.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.52 1.138 . . . . 74.11 109.322 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 14.2 ttp85 -122.32 150.25 42.64 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.496 1.122 . . . . 75.33 110.316 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . 0.473 ' CD2' HG12 ' A' ' 45' ' ' ILE . 7.6 tp -140.52 123.84 16.81 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.529 1.143 . . . . 75.12 109.264 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 19.6 p90 . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.435 1.084 . . . . 65.44 111.034 179.942 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.453 -0.281 0 N-CA-C 110.0 -0.37 . . . . 72.13 110.0 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . 0.515 ' CD1' ' NZ ' ' A' ' 22' ' ' LYS . 10.6 mt -129.55 148.75 33.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.538 1.149 . . . . 75.34 109.296 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . 0.413 ' C ' ' CD1' ' A' ' 6' ' ' LEU . 0.8 OUTLIER -102.18 147.28 26.82 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.48 1.113 . . . . 74.35 109.3 179.967 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . 0.568 ' CD1' ' CG1' ' A' ' 20' ' ' VAL . 2.3 m-85 -127.6 122.83 34.18 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.5 1.125 . . . . 73.2 111.027 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . 0.402 ' O ' ' O ' ' A' ' 83' ' ' ILE . 11.3 mtm180 -103.52 90.05 3.55 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.478 1.111 . . . . 70.35 110.252 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 4.3 mp -66.17 147.96 12.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.505 1.128 . . . . 72.25 109.305 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' SER . . . . . 0.495 ' OG ' ' CG2' ' A' ' 15' ' ' ILE . 11.3 m . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.465 1.103 . . . . 73.01 110.001 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . 0.55 ' N ' ' CD1' ' A' ' 15' ' ' ILE . 1.5 mp . . . . . 0 N--CA 1.453 -0.305 0 N-CA-C 109.327 -0.62 . . . . 75.02 109.327 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 22.0 m-85 -120.46 178.62 4.6 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.543 1.152 . . . . 72.04 111.011 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 26.4 p -125.46 153.59 43.29 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.502 1.126 . . . . 65.43 110.4 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.433 ' CD1' ' HD3' ' A' ' 36' ' ' LYS . 4.5 tt -155.76 127.44 7.36 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.495 1.122 . . . . 72.3 109.307 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.49 ' CD1' ' C ' ' A' ' 19' ' ' LEU . 0.2 OUTLIER -86.01 115.93 23.91 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.487 1.117 . . . . 74.41 109.287 179.989 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.568 ' CG1' ' CD1' ' A' ' 7' ' ' PHE . 2.9 p -116.72 115.58 49.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.491 1.12 . . . . 72.52 109.285 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . 0.486 ' HB2' ' CD1' ' A' ' 24' ' ' TRP . 10.6 mm-40 -58.72 169.53 0.95 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.488 1.118 . . . . 74.4 110.307 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . 0.515 ' NZ ' ' CD1' ' A' ' 5' ' ' ILE . 40.8 mttm -87.58 11.33 15.25 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.498 1.124 . . . . 75.54 109.287 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -112.15 -15.26 10.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.496 1.122 . . . . 74.12 109.332 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' TRP . . . . . 0.486 ' CD1' ' HB2' ' A' ' 21' ' ' GLU . 21.3 m0 -75.94 87.21 2.89 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.514 1.134 . . . . 72.32 108.024 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . 0.413 ' OD1' ' N ' ' A' ' 25' ' ' ASN . 6.9 p-10 -52.3 -179.82 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.505 1.128 . . . . 74.41 109.356 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . 0.524 ' CD1' ' N ' ' A' ' 27' ' ' ASP . 33.0 p90 -48.07 -39.65 20.8 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.48 1.112 . . . . 72.34 110.984 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . 0.524 ' N ' ' CD1' ' A' ' 26' ' ' PHE . 15.6 t70 -63.39 -63.68 1.12 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.485 1.116 . . . . 72.22 109.317 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . 0.467 ' HB2' ' CA ' ' A' ' 24' ' ' TRP . 8.0 m-20 -53.86 -24.37 15.63 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.53 1.144 . . . . 73.33 109.316 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.547 HD11 ' CE2' ' A' ' 7' ' ' PHE . 2.2 tp -69.06 -51.32 40.05 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.511 1.132 . . . . 71.33 109.242 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 28.0 mm -64.67 -40.17 88.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.542 1.151 . . . . 75.14 109.303 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 11.2 mmt -66.4 -24.86 66.54 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.537 1.148 . . . . 74.43 110.979 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -69.58 -64.06 0.95 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.453 1.095 . . . . 75.14 109.266 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 3.8 mp -58.51 -34.9 52.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.531 1.145 . . . . 75.33 109.293 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . 0.4 ' ND2' HD11 ' A' ' 45' ' ' ILE . 0.9 OUTLIER -60.28 -20.26 58.34 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.524 1.14 . . . . 74.24 109.291 179.993 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 11.7 t -82.49 -47.04 12.65 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.462 1.102 . . . . 61.22 109.967 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . 0.433 ' HD3' ' CD1' ' A' ' 18' ' ' LEU . 0.6 OUTLIER -63.54 -36.88 85.24 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.53 1.144 . . . . 72.2 109.26 -179.947 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . 0.434 ' CD1' HG13 ' A' ' 45' ' ' ILE . 1.4 pt -84.57 -13.18 11.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.547 1.154 . . . . 75.24 109.309 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 17.8 t . . . . . 0 C--N 1.325 -0.489 0 O-C-N 124.482 1.114 . . . . 74.3 109.997 -179.975 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 N--CA 1.454 -0.847 0 N-CA-C 110.992 -0.426 . . . . 75.3 110.992 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . 0.434 HG13 ' CD1' ' A' ' 37' ' ' ILE . 1.4 pp -139.8 134.37 37.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.439 1.087 . . . . 72.33 109.289 -179.956 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 9.9 t -94.47 -41.98 9.09 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.5 1.125 . . . . 73.14 110.421 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 3.6 ptpp? -89.12 135.48 33.54 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.503 1.127 . . . . 71.14 109.287 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . 0.434 ' O ' ' N ' ' A' ' 60' ' ' LEU . 17.6 pt -133.46 131.72 57.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.488 1.117 . . . . 72.44 109.324 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 4.8 mmtp -88.98 110.21 20.93 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.44 1.087 . . . . 74.25 109.276 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' TYR . . . . . 0.607 ' CE2' ' CB ' ' A' ' 69' ' ' ALA . 6.5 p90 -108.3 143.34 37.31 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.476 1.11 . . . . 75.43 111.024 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 24.7 tt0 -76.13 148.28 37.95 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.494 1.121 . . . . 72.31 110.32 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 30.3 p30 -120.12 -173.35 2.54 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.507 1.129 . . . . 74.44 109.296 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 16.2 pt-20 -58.53 -49.11 78.58 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.474 1.109 . . . . 75.23 110.285 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 25.1 t0 -49.77 -23.63 1.93 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.469 1.105 . . . . 75.31 109.349 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 91.46 13.09 58.9 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.457 1.098 . . . . 72.41 110.977 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 81.1 m-20 -103.24 160.74 14.41 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.51 0.77 . . . . 73.41 109.261 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 2.5 m-85 -96.29 117.21 30.35 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.502 1.126 . . . . 74.31 110.996 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . 0.543 HG22 ' CE1' ' A' ' 50' ' ' TYR . 0.4 OUTLIER -117.56 142.88 29.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.509 1.131 . . . . 73.35 109.324 -179.984 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 26.6 t -57.56 152.14 3.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 O-C-N 124.528 1.142 . . . . 75.5 109.303 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.545 ' HB2' ' CD1' ' A' ' 50' ' ' TYR . 0.6 OUTLIER -149.23 118.8 6.95 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.502 1.126 . . . . 74.3 109.309 179.986 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -156.86 27.99 0.53 Allowed Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.53 1.144 . . . . 62.41 110.976 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 52.4 m -147.68 168.78 21.19 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.537 0.787 . . . . 74.35 110.017 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -74.26 -30.03 61.94 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.501 1.126 . . . . 73.43 109.309 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . 0.481 ' O ' ' CG2' ' A' ' 68' ' ' VAL . 7.1 tt0 -77.02 -16.26 59.35 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.504 1.127 . . . . 74.4 110.327 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 34.6 m-20 -102.27 -18.35 15.5 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.469 1.106 . . . . 73.31 109.263 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' TRP . . . . . 0.598 ' O ' ' CE3' ' A' ' 66' ' ' TRP . 3.5 t-105 -96.07 -23.79 16.63 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.514 1.134 . . . . 75.13 107.994 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 6.2 t30 -88.54 -47.7 8.12 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.511 1.132 . . . . 71.23 109.297 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . 0.481 ' CG2' ' O ' ' A' ' 64' ' ' GLU . 55.6 t -60.94 -28.3 43.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.476 1.11 . . . . 74.51 109.282 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . 0.607 ' CB ' ' CE2' ' A' ' 50' ' ' TYR . . . -77.62 -32.93 53.77 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.47 1.106 . . . . 72.43 109.279 -179.946 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . 0.557 ' HD3' ' CH2' ' A' ' 66' ' ' TRP . 3.4 mtmp? -70.9 -57.56 4.47 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.512 1.132 . . . . 74.22 109.314 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -48.99 -23.15 1.03 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.522 1.139 . . . . 73.45 110.263 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' MET . . . . . 0.426 ' O ' ' N ' ' A' ' 75' ' ' GLU . 6.0 ttm -76.62 -38.63 54.38 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.547 1.154 . . . . 64.22 110.991 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . 0.46 HD22 ' CG ' ' A' ' 78' ' ' GLU . 14.0 mt -47.24 -52.59 15.6 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.542 1.152 . . . . 74.42 109.314 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -54.2 -29.71 47.1 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.506 1.129 . . . . 70.11 109.318 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . 0.426 ' N ' ' O ' ' A' ' 72' ' ' MET . 59.3 mt-10 -83.52 -27.98 28.98 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.454 1.096 . . . . 74.52 110.27 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 76' ' ' ASN . . . . . 0.403 ' CB ' ' CD ' ' A' ' 78' ' ' GLU . 75.3 m-20 -89.1 13.56 12.8 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.526 1.141 . . . . 72.33 109.295 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 77' ' ' ASN . . . . . 0.403 ' C ' ' O ' ' A' ' 76' ' ' ASN . 39.8 m-80 40.44 32.89 0.15 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.518 1.136 . . . . 75.11 109.305 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . 0.479 ' HB2' ' CE2' ' A' ' 80' ' ' PHE . 6.2 pt-20 -128.19 121.28 29.06 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.484 1.115 . . . . 72.33 110.287 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 1.4 tppp? -87.53 5.08 40.97 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.544 1.153 . . . . 72.22 109.265 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 80' ' ' PHE . . . . . 0.479 ' CE2' ' HB2' ' A' ' 78' ' ' GLU . 10.6 p90 -114.27 155.43 26.18 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.509 1.131 . . . . 74.21 111.013 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 0.468 ' CD2' HD13 ' A' ' 83' ' ' ILE . 2.7 tt -127.61 165.82 19.24 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.499 1.125 . . . . 75.02 109.307 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 82' ' ' ASN . . . . . 0.402 ' ND2' ' C ' ' A' ' 82' ' ' ASN . 1.3 t30 -136.69 136.81 39.37 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.447 1.092 . . . . 75.22 109.273 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . 0.552 HG13 ' CD2' ' A' ' 7' ' ' PHE . 47.6 mm -133.37 145.22 34.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.529 1.143 . . . . 71.14 109.311 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 84' ' ' ARG . . . . . 0.484 ' CG ' ' O ' ' A' ' 84' ' ' ARG . 0.6 OUTLIER -139.65 123.66 17.73 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.559 1.162 . . . . 73.53 110.309 179.978 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . 0.448 ' N ' ' O ' ' A' ' 10' ' ' SER . 3.5 mm? -98.78 149.81 22.49 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.511 1.132 . . . . 72.43 109.341 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 7.8 t80 . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.496 1.122 . . . . 73.5 111.0 -179.971 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.453 -0.319 0 N-CA-C 110.036 -0.357 . . . . 73.21 110.036 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 32.4 mt -138.59 143.19 32.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.487 1.117 . . . . 71.31 109.292 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . 0.474 ' CD1' ' N ' ' A' ' 7' ' ' PHE . 2.9 tm? -96.66 148.19 23.12 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 73.12 109.286 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . 0.488 ' CD2' HG13 ' A' ' 83' ' ' ILE . 1.5 m-85 -124.73 120.79 32.8 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.533 1.145 . . . . 74.45 111.037 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 9.1 mtt180 -89.08 114.28 25.5 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.49 1.118 . . . . 75.53 110.318 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . 0.469 HD13 ' CG1' ' A' ' 33' ' ' ILE . 4.1 mm -95.25 103.08 14.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.453 1.096 . . . . 75.31 109.295 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' SER . . . . . 0.449 ' HB2' ' CD1' ' A' ' 15' ' ' ILE . 2.3 t . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.533 1.146 . . . . 75.02 110.035 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . 0.449 ' CD1' ' HB2' ' A' ' 10' ' ' SER . 1.8 mm . . . . . 0 N--CA 1.453 -0.29 0 N-CA-C 109.329 -0.619 . . . . 75.12 109.329 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . 0.443 ' CB ' ' HB ' ' A' ' 9' ' ' ILE . 0.0 OUTLIER -107.36 -171.65 1.92 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.51 1.131 . . . . 74.33 111.01 -179.964 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 2.1 p -139.15 129.78 25.94 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.503 1.127 . . . . 73.34 110.39 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -142.96 109.25 5.3 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.527 1.142 . . . . 73.14 109.312 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -73.54 115.36 12.84 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.488 1.117 . . . . 73.23 109.313 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.43 HG11 ' CD1' ' A' ' 7' ' ' PHE . 15.0 p -123.49 121.3 62.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.516 1.135 . . . . 72.24 109.312 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . 0.567 ' HB2' ' CD1' ' A' ' 24' ' ' TRP . 71.2 mt-10 -62.19 168.62 3.25 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.493 1.121 . . . . 73.42 110.304 179.942 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 10.3 mtpt -89.69 15.48 9.54 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.507 1.129 . . . . 71.44 109.323 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -115.02 -37.16 2.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.468 1.105 . . . . 71.21 109.281 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' TRP . . . . . 0.567 ' CD1' ' HB2' ' A' ' 21' ' ' GLU . 17.3 m0 -51.58 105.87 0.12 Allowed 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 107.99 -1.115 . . . . 73.33 107.99 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 19.4 p-10 -61.78 -179.79 0.21 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.527 1.142 . . . . 74.11 109.311 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . 0.4 ' CG ' ' N ' ' A' ' 27' ' ' ASP . 49.6 p90 -54.58 -38.78 67.12 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.499 1.124 . . . . 75.2 111.002 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . 0.4 ' N ' ' CG ' ' A' ' 26' ' ' PHE . 12.4 t0 -59.73 -64.73 0.84 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.548 1.155 . . . . 71.03 109.311 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 78.1 m-20 -54.1 -27.07 30.61 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.537 1.148 . . . . 72.3 109.321 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.456 ' CD1' HD12 ' A' ' 33' ' ' ILE . 1.3 tp -66.06 -60.96 2.32 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.525 1.141 . . . . 75.24 109.309 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 22.2 mm -51.28 -34.16 14.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.471 1.107 . . . . 62.22 109.318 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 11.1 mmt -80.32 -24.44 39.91 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.51 1.131 . . . . 73.03 111.012 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -67.95 -41.78 81.95 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.476 1.11 . . . . 73.02 109.284 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.469 ' CG1' HD13 ' A' ' 9' ' ' ILE . 2.0 mp -77.64 -41.35 28.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.507 1.129 . . . . 71.43 109.287 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 1.5 m-80 -64.31 -12.94 46.83 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.509 1.131 . . . . 75.55 109.285 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 35.7 t -90.53 -29.82 17.64 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.533 1.146 . . . . 73.42 110.007 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . 0.403 ' N ' ' HD2' ' A' ' 36' ' ' LYS . 9.3 mptt -83.31 -35.88 24.89 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.524 1.14 . . . . 63.14 109.307 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . 0.5 ' CD1' ' CD1' ' A' ' 45' ' ' ILE . 0.9 OUTLIER -86.05 -12.61 11.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.555 1.159 . . . . 75.22 109.286 180.0 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.324 -0.506 0 O-C-N 124.469 1.105 . . . . 72.32 110.004 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 N--CA 1.453 -0.859 0 N-CA-C 111.011 -0.419 . . . . 73.5 111.011 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . 0.5 ' CD1' ' CD1' ' A' ' 37' ' ' ILE . 1.4 pp -132.09 104.93 8.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.521 1.138 . . . . 73.45 109.306 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 24.9 p -69.05 -14.12 62.84 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.466 1.104 . . . . 75.42 110.38 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 24.0 mtpp -123.25 132.95 54.21 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.492 1.12 . . . . 72.02 109.288 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 20.2 pt -122.85 160.06 25.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.474 1.109 . . . . 74.45 109.3 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 21.8 tttp -122.54 109.64 14.58 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.503 1.127 . . . . 72.51 109.286 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' TYR . . . . . 0.53 ' CE1' HG23 ' A' ' 58' ' ' VAL . 9.7 p90 -100.65 149.0 24.22 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.447 1.092 . . . . 74.22 111.009 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . 0.478 ' O ' ' CD2' ' A' ' 50' ' ' TYR . 44.5 tt0 -66.75 152.74 44.91 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.542 1.151 . . . . 70.34 110.3 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 16.1 t0 -114.05 -174.59 2.5 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.505 1.128 . . . . 72.11 109.323 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . 0.43 ' N ' ' SD ' ' A' ' 72' ' ' MET . 4.6 pt-20 -75.61 -19.6 59.12 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.514 1.134 . . . . 75.23 110.282 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -87.23 10.56 16.6 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.481 1.113 . . . . 75.01 109.27 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 65.04 12.7 55.78 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.541 1.15 . . . . 63.44 111.0 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -103.42 153.05 20.91 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.49 0.759 . . . . 75.13 109.313 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 5.1 m-85 -79.65 135.51 36.58 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.492 1.12 . . . . 74.24 111.049 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . 0.53 HG23 ' CE1' ' A' ' 50' ' ' TYR . 0.2 OUTLIER -134.48 144.27 35.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.522 1.139 . . . . 73.3 109.329 -180.0 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 48.8 t -66.73 163.84 2.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.495 1.122 . . . . 74.52 109.338 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.45 ' HB2' ' CD1' ' A' ' 50' ' ' TYR . 0.3 OUTLIER -156.55 115.17 3.36 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.492 1.12 . . . . 73.23 109.311 -179.951 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -152.57 21.3 0.82 Allowed Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.485 1.115 . . . . 63.11 110.997 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 22.8 m -153.35 -176.41 5.79 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.532 0.784 . . . . 60.14 110.01 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 10.7 t0 -80.27 -26.5 38.91 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.529 1.143 . . . . 75.4 109.279 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . 0.491 ' O ' ' CG2' ' A' ' 68' ' ' VAL . 6.9 pt-20 -70.52 -14.64 62.6 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.536 1.147 . . . . 64.02 110.281 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -112.22 -14.86 13.31 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.498 1.124 . . . . 61.42 109.291 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' TRP . . . . . 0.518 ' CE2' ' HD3' ' A' ' 70' ' ' LYS . 0.1 OUTLIER -94.37 -23.3 17.84 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.503 1.127 . . . . 73.34 107.99 -179.996 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 8.1 t30 -95.99 -34.87 11.61 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.52 1.138 . . . . 74.42 109.279 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . 0.491 ' CG2' ' O ' ' A' ' 64' ' ' GLU . 4.2 t -66.55 -22.68 30.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.556 1.16 . . . . 73.24 109.322 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . 0.491 ' HB2' ' CE2' ' A' ' 50' ' ' TYR . . . -90.3 -44.05 9.96 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.481 1.113 . . . . 72.44 109.311 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . 0.518 ' HD3' ' CE2' ' A' ' 66' ' ' TRP . 14.8 mtpp -60.45 -41.52 94.27 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.482 1.114 . . . . 73.02 109.292 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 47.7 mm-40 -70.45 -22.81 62.66 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.49 1.119 . . . . 74.02 110.3 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' MET . . . . . 0.43 ' SD ' ' N ' ' A' ' 53' ' ' GLU . 9.7 ttp -76.59 -29.09 56.42 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.51 1.131 . . . . 71.11 110.972 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 4.6 mt -62.29 -38.73 90.5 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.494 1.121 . . . . 61.31 109.33 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -65.19 -29.46 70.28 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.516 1.135 . . . . 74.43 109.312 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 64.9 mt-10 -84.82 -26.72 27.27 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.461 1.101 . . . . 71.44 110.314 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 76' ' ' ASN . . . . . 0.503 ' N ' HD21 ' A' ' 76' ' ' ASN . 1.5 m-80 -90.79 -12.13 37.35 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.514 1.134 . . . . 71.3 109.33 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 33.1 m-80 62.01 43.43 9.01 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.56 1.163 . . . . 71.04 109.307 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 13.9 pt-20 -121.23 163.97 17.68 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.503 1.127 . . . . 75.22 110.29 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . 0.637 ' H ' ' NZ ' ' A' ' 79' ' ' LYS . 0.0 OUTLIER -121.02 -1.66 9.81 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.467 1.104 . . . . 75.34 109.301 -179.977 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 32.4 p90 -122.11 173.72 7.39 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.495 1.122 . . . . 72.22 111.045 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 0.472 ' CD2' HD11 ' A' ' 83' ' ' ILE . 0.7 OUTLIER -134.09 173.76 11.23 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.509 1.131 . . . . 72.13 109.318 179.999 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 82' ' ' ASN . . . . . 0.435 ' ND2' ' O ' ' A' ' 82' ' ' ASN . 1.5 t30 -135.34 105.78 6.41 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.526 1.141 . . . . 75.52 109.305 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . 0.488 HG13 ' CD2' ' A' ' 7' ' ' PHE . 23.7 mm -104.86 146.68 11.76 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.515 1.135 . . . . 74.2 109.289 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 15.8 ttm-85 -118.92 140.11 50.53 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.498 1.124 . . . . 73.41 110.274 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . 0.471 HD13 ' CD1' ' A' ' 45' ' ' ILE . 2.9 mm? -137.28 116.65 12.73 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.536 1.147 . . . . 72.33 109.32 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 7.8 t80 . . . . . 0 C--N 1.325 -0.489 0 O-C-N 124.531 1.144 . . . . 74.12 110.955 -179.962 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.292 0 N-CA-C 109.971 -0.381 . . . . 72.14 109.971 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . 0.439 HG13 ' CE ' ' A' ' 22' ' ' LYS . 71.0 mt -134.13 155.91 40.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.503 1.127 . . . . 73.24 109.282 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -102.63 154.96 18.63 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.481 1.113 . . . . 75.44 109.328 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . 0.537 ' CD2' HG13 ' A' ' 83' ' ' ILE . 0.3 OUTLIER -142.37 107.59 4.98 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.537 1.148 . . . . 73.4 111.028 179.98 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 17.2 mtp180 -88.41 120.92 30.24 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.502 1.126 . . . . 74.25 110.318 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 3.8 mp -101.3 94.34 3.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.556 1.16 . . . . 73.52 109.286 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' SER . . . . . 0.5 ' OG ' ' CG2' ' A' ' 15' ' ' ILE . 19.1 m . . . . . 0 C--N 1.324 -0.5 0 O-C-N 124.506 1.129 . . . . 75.54 109.963 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . 0.578 ' N ' ' CD1' ' A' ' 15' ' ' ILE . 1.4 mp . . . . . 0 N--CA 1.453 -0.318 0 N-CA-C 109.319 -0.623 . . . . 72.44 109.319 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 24.6 m-85 -119.41 -176.91 3.24 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.589 1.18 . . . . 75.22 111.03 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 3.1 p -130.29 154.98 47.06 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.509 1.13 . . . . 73.51 110.388 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.438 HD11 ' CB ' ' A' ' 32' ' ' ALA . 2.9 tm? -154.29 105.79 2.72 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.527 1.142 . . . . 73.54 109.265 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.496 ' CD1' ' C ' ' A' ' 19' ' ' LEU . 0.2 OUTLIER -71.89 105.96 4.03 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.473 1.108 . . . . 73.52 109.352 179.951 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.467 HG11 ' CD1' ' A' ' 7' ' ' PHE . 13.3 p -107.5 124.04 63.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.531 1.144 . . . . 74.15 109.271 -179.95 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . 0.558 ' HB2' ' CD1' ' A' ' 24' ' ' TRP . 21.4 mt-10 -61.86 168.92 2.81 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.47 1.106 . . . . 72.24 110.299 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . 0.439 ' CE ' HG13 ' A' ' 5' ' ' ILE . 70.4 mttt -87.79 11.94 14.19 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.468 1.105 . . . . 73.34 109.289 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . 0.43 ' O ' ' N ' ' A' ' 25' ' ' ASN . 0.2 OUTLIER -111.85 -32.25 2.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.473 1.108 . . . . 64.12 109.345 179.996 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' TRP . . . . . 0.558 ' CD1' ' HB2' ' A' ' 21' ' ' GLU . 16.2 m0 -58.87 89.17 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.522 1.139 . . . . 75.34 108.016 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . 0.519 ' HA ' ' CE2' ' A' ' 66' ' ' TRP . 10.7 p-10 -52.86 177.47 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.485 1.115 . . . . 70.25 109.347 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . 0.469 ' CG ' ' N ' ' A' ' 27' ' ' ASP . 10.5 p90 -46.83 -38.13 9.78 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.502 1.126 . . . . 74.24 110.954 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . 0.469 ' N ' ' CG ' ' A' ' 26' ' ' PHE . 2.6 t0 -61.21 -71.69 0.14 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.509 1.131 . . . . 70.45 109.274 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -47.39 -29.61 2.74 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.477 1.111 . . . . 72.34 109.293 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.498 ' CD1' ' CE2' ' A' ' 7' ' ' PHE . 1.7 tp -61.11 -55.26 34.51 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.459 1.1 . . . . 74.12 109.309 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . 0.461 ' CD1' HG13 ' A' ' 48' ' ' ILE . 15.3 mm -57.2 -43.85 82.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.516 1.135 . . . . 73.0 109.277 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 26.0 mtp -66.54 -24.39 66.36 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.48 1.112 . . . . 74.14 111.049 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . 0.438 ' CB ' HD11 ' A' ' 18' ' ' LEU . . . -65.43 -54.25 31.32 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.526 1.141 . . . . 71.11 109.289 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 4.3 mp -67.0 -46.65 84.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.128 . . . . 75.43 109.301 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 1.3 m-80 -53.15 -21.34 4.86 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.486 1.116 . . . . 71.12 109.31 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 2.3 t -73.21 -37.27 66.49 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.442 1.089 . . . . 74.31 110.033 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 2.0 mptp? -74.15 -45.39 49.05 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.501 1.126 . . . . 75.44 109.308 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . 0.595 ' CD1' ' CD1' ' A' ' 45' ' ' ILE . 0.3 OUTLIER -82.06 -3.46 7.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.469 1.106 . . . . 75.24 109.308 179.967 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 41.7 t . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.506 1.129 . . . . 72.04 110.009 -179.975 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo . . . . . 0 N--CA 1.453 -0.892 0 N-CA-C 111.03 -0.412 . . . . 75.53 111.03 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . 0.595 ' CD1' ' CD1' ' A' ' 37' ' ' ILE . 1.5 pp -130.83 98.43 3.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.488 1.118 . . . . 71.05 109.27 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' THR . . . . . 0.419 ' O ' ' CD1' ' A' ' 30' ' ' ILE . 16.3 p -73.47 -4.98 37.11 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.492 1.12 . . . . 74.21 110.379 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 7.9 mmmm -121.4 129.82 53.24 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.461 1.1 . . . . 74.11 109.344 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . 0.461 HG13 ' CD1' ' A' ' 30' ' ' ILE . 1.9 pp -128.48 139.01 53.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.534 1.146 . . . . 74.32 109.297 -179.953 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 17.9 ttmt -93.22 112.59 24.57 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.522 1.139 . . . . 65.43 109.31 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' TYR . . . . . 0.547 ' CE1' HG22 ' A' ' 58' ' ' VAL . 8.0 p90 -103.08 147.23 27.24 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.536 1.148 . . . . 74.22 111.016 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 51.5 tt0 -76.67 145.83 38.51 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.513 1.133 . . . . 74.13 110.327 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 14.2 t0 -113.53 -171.57 1.91 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.49 1.119 . . . . 74.22 109.304 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . 0.452 ' HB3' ' CG ' ' A' ' 72' ' ' MET . 2.4 pp20? -74.02 -18.32 60.86 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.509 1.131 . . . . 73.24 110.264 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -84.34 6.54 22.66 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.466 1.104 . . . . 64.54 109.302 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 63.04 12.04 41.45 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.492 1.12 . . . . 53.44 110.977 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -100.4 153.71 19.11 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.557 0.798 . . . . 71.34 109.273 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 39.5 m-85 -90.45 120.9 31.95 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 64.34 111.001 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . 0.547 HG22 ' CE1' ' A' ' 50' ' ' TYR . 0.3 OUTLIER -122.06 148.67 25.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.548 1.155 . . . . 74.41 109.284 -179.999 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 13.1 p -72.95 149.07 8.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.464 1.103 . . . . 72.54 109.279 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.53 ' HB2' ' CD1' ' A' ' 50' ' ' TYR . 0.3 OUTLIER -133.39 120.29 20.76 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.479 1.112 . . . . 74.44 109.326 179.997 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . 0.435 ' N ' ' CD1' ' A' ' 60' ' ' LEU . . . -163.31 27.75 0.23 Allowed Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.541 1.151 . . . . 74.24 110.964 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 72.1 m -150.67 167.75 26.41 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.522 0.778 . . . . 74.11 110.001 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . 0.444 ' O ' ' N ' ' A' ' 67' ' ' ASN . 1.2 p-10 -73.38 -29.83 62.87 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.478 1.111 . . . . 74.34 109.267 -179.937 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . 0.499 ' O ' ' CG2' ' A' ' 68' ' ' VAL . 2.6 tt0 -67.31 -38.09 84.41 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.506 1.129 . . . . 64.3 110.324 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 10.2 m-20 -85.7 -11.89 52.56 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.506 1.129 . . . . 75.31 109.344 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' TRP . . . . . 0.592 ' CZ3' ' OD1' ' A' ' 67' ' ' ASN . 5.8 t90 -97.62 -22.62 16.38 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.523 1.139 . . . . 75.13 108.02 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . 0.592 ' OD1' ' CZ3' ' A' ' 66' ' ' TRP . 42.1 m-20 -94.87 -46.87 6.68 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.525 1.14 . . . . 74.32 109.33 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . 0.499 ' CG2' ' O ' ' A' ' 64' ' ' GLU . 86.1 t -62.96 -36.06 74.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.545 1.153 . . . . 71.05 109.271 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . 0.415 ' CB ' ' CE2' ' A' ' 50' ' ' TYR . . . -70.1 -49.96 45.61 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.556 1.16 . . . . 74.52 109.284 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 14.0 mtpp -56.33 -44.17 79.73 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.451 1.094 . . . . 74.33 109.308 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 16.7 mt-10 -66.67 -24.26 66.25 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.527 1.142 . . . . 65.01 110.334 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' MET . . . . . 0.452 ' CG ' ' HB3' ' A' ' 53' ' ' GLU . 4.1 tpt -75.11 -16.12 60.56 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.556 1.16 . . . . 70.42 111.001 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 3.2 mt -65.5 -52.41 52.97 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.458 1.098 . . . . 74.23 109.286 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -57.62 -20.81 35.51 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.5 1.125 . . . . 72.14 109.27 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 13.0 mm-40 -96.28 -26.23 15.48 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.449 1.093 . . . . 74.35 110.328 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 76' ' ' ASN . . . . . 0.433 ' N ' ' O ' ' A' ' 72' ' ' MET . 93.6 m-20 -82.12 -11.53 58.7 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.444 1.09 . . . . 74.12 109.263 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 14.7 m-80 60.39 35.53 20.52 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.473 1.108 . . . . 72.54 109.274 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 9.7 pt-20 -118.08 161.2 20.22 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.491 1.119 . . . . 74.14 110.282 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -119.98 19.0 12.42 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.568 1.167 . . . . 75.23 109.298 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 7.7 p90 -154.49 165.99 34.7 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.477 1.111 . . . . 73.45 110.985 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 0.459 ' CD1' HD11 ' A' ' 83' ' ' ILE . 1.8 tm? -118.47 160.91 20.88 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.504 1.127 . . . . 75.54 109.284 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 82' ' ' ASN . . . . . 0.435 ' C ' ' ND2' ' A' ' 82' ' ' ASN . 1.0 OUTLIER -129.25 136.06 49.61 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.484 1.115 . . . . 70.32 109.351 179.968 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . 0.537 HG13 ' CD2' ' A' ' 7' ' ' PHE . 46.2 mm -126.88 157.97 37.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.503 1.127 . . . . 73.22 109.265 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 13.1 ttm180 -138.71 128.99 25.72 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.498 1.124 . . . . 75.13 110.313 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . 0.467 HD23 ' CD1' ' A' ' 45' ' ' ILE . 0.1 OUTLIER -113.94 139.99 48.76 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.48 1.112 . . . . 73.22 109.343 179.967 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 86' ' ' TYR . . . . . 0.411 ' N ' HD13 ' A' ' 85' ' ' LEU . 9.1 p90 . . . . . 0 C--N 1.324 -0.5 0 O-C-N 124.5 1.125 . . . . 74.51 111.033 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.453 -0.293 0 N-CA-C 110.029 -0.36 . . . . 65.3 110.029 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . 0.526 ' CG2' ' CE1' ' A' ' 7' ' ' PHE . 45.5 mt -132.69 152.9 37.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.435 1.084 . . . . 71.22 109.282 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . 0.498 ' CD1' ' N ' ' A' ' 7' ' ' PHE . 2.6 tm? -122.87 148.75 45.06 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.484 1.115 . . . . 75.42 109.269 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . 0.672 ' CE2' ' CG1' ' A' ' 20' ' ' VAL . 22.8 m-85 -131.72 131.18 42.83 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.514 1.134 . . . . 74.21 110.998 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 54.9 mtp180 -95.04 71.89 3.37 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.502 1.126 . . . . 75.42 110.273 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 5.1 mp -60.02 124.04 13.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.485 1.116 . . . . 74.51 109.295 179.938 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' SER . . . . . 0.506 ' O ' ' CB ' ' A' ' 85' ' ' LEU . 1.4 p . . . . . 0 C--N 1.324 -0.504 0 O-C-N 124.479 1.112 . . . . 74.13 110.003 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . 0.481 ' N ' ' CD1' ' A' ' 15' ' ' ILE . 3.0 mp . . . . . 0 N--CA 1.453 -0.277 0 N-CA-C 109.293 -0.632 . . . . 74.31 109.293 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 3.0 m-85 -117.24 122.68 44.66 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.455 1.097 . . . . 74.41 111.002 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 2.2 p -81.03 129.23 34.44 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.531 1.144 . . . . 72.55 110.375 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.409 HD22 ' CE ' ' A' ' 36' ' ' LYS . 1.5 tm? -124.82 101.79 7.25 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.483 1.114 . . . . 74.14 109.262 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.492 ' CD1' ' C ' ' A' ' 19' ' ' LEU . 0.3 OUTLIER -71.54 105.8 3.76 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.513 1.133 . . . . 72.24 109.286 -179.999 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.672 ' CG1' ' CE2' ' A' ' 7' ' ' PHE . 7.2 p -106.43 147.64 11.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.485 1.116 . . . . 74.11 109.308 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . 0.566 ' HB2' ' CD1' ' A' ' 24' ' ' TRP . 2.2 mm-40 -86.98 164.42 16.52 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.502 1.126 . . . . 74.55 110.33 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 3.3 mtpt -90.99 18.3 6.86 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.522 1.139 . . . . 75.53 109.312 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . 0.491 ' O ' ' CG2' ' A' ' 23' ' ' VAL . 0.7 OUTLIER -126.07 3.36 4.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.458 1.099 . . . . 74.4 109.291 -179.97 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' TRP . . . . . 0.566 ' CD1' ' HB2' ' A' ' 21' ' ' GLU . 31.7 m0 -90.06 131.69 35.79 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.496 1.122 . . . . 74.32 108.025 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 20.3 p-10 -81.35 -175.47 5.49 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.517 1.136 . . . . 74.41 109.27 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . 0.5 ' CG ' ' N ' ' A' ' 27' ' ' ASP . 8.6 p90 -61.79 -39.82 93.07 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.506 1.129 . . . . 74.2 110.988 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . 0.5 ' N ' ' CG ' ' A' ' 26' ' ' PHE . 4.7 t70 -62.35 -46.01 90.63 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 72.34 109.253 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 16.4 m-20 -66.66 -35.96 81.42 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.525 1.141 . . . . 75.45 109.323 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 10.6 tp -59.05 -56.51 21.35 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.567 1.167 . . . . 75.43 109.287 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 25.9 mm -56.06 -49.23 76.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.539 1.149 . . . . 73.15 109.311 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 8.2 mmt -60.73 -24.74 65.93 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.473 1.108 . . . . 65.04 110.991 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -66.97 -49.24 66.04 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.526 1.141 . . . . 64.53 109.268 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 2.9 mp -69.78 -40.6 79.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.485 1.116 . . . . 75.41 109.312 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 1.3 m-80 -62.78 -15.91 55.74 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.131 . . . . 74.13 109.319 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 1.6 t -86.4 -41.8 14.17 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.517 1.136 . . . . 74.53 110.023 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . 0.411 ' N ' ' HD2' ' A' ' 36' ' ' LYS . 3.1 mptt -69.36 -38.36 78.04 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.504 1.127 . . . . 75.34 109.321 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . 0.466 ' CD1' HG13 ' A' ' 45' ' ' ILE . 0.8 OUTLIER -88.99 -5.49 10.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.493 1.12 . . . . 74.55 109.294 179.994 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 41.5 t . . . . . 0 C--N 1.324 -0.507 0 O-C-N 124.53 1.144 . . . . 72.34 110.011 -179.991 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 N--CA 1.453 -0.865 0 N-CA-C 110.977 -0.432 . . . . 75.24 110.977 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . 0.467 HG12 ' CD2' ' A' ' 85' ' ' LEU . 1.4 pp -135.11 125.5 44.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.501 1.126 . . . . 74.25 109.301 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 37.3 p -104.73 41.94 1.27 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.531 1.144 . . . . 74.53 110.417 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 9.1 ptmm? -174.52 110.16 0.14 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.493 1.12 . . . . 71.24 109.319 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 5.9 pt -106.95 130.74 58.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.518 1.136 . . . . 72.42 109.336 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 31.6 mttt -85.04 113.16 21.25 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.492 1.12 . . . . 75.42 109.315 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' TYR . . . . . 0.556 ' CE1' HG23 ' A' ' 58' ' ' VAL . 8.7 p90 -107.29 147.22 30.53 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.539 1.149 . . . . 74.13 110.981 -179.949 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 38.1 tt0 -72.01 152.24 42.59 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.534 1.146 . . . . 73.43 110.322 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 14.6 t0 -107.27 177.32 4.88 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.485 1.116 . . . . 74.44 109.292 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 1.2 pm0 -69.3 -20.01 63.89 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.521 1.138 . . . . 73.33 110.299 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -88.4 11.75 16.05 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.501 1.126 . . . . 73.03 109.315 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 68.25 10.91 60.64 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.461 1.1 . . . . 65.44 110.99 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 14.0 m-20 -88.99 176.88 6.82 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.491 0.76 . . . . 74.13 109.295 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . 0.476 ' CD1' ' N ' ' A' ' 57' ' ' PHE . 1.6 p90 -116.17 124.17 49.63 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.121 . . . . 74.24 111.039 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . 0.556 HG23 ' CE1' ' A' ' 50' ' ' TYR . 0.1 OUTLIER -126.45 158.6 36.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.533 1.145 . . . . 71.01 109.261 179.984 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 14.5 p -84.46 145.37 8.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.47 1.106 . . . . 72.23 109.253 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.465 ' HB2' ' CD1' ' A' ' 50' ' ' TYR . 0.7 OUTLIER -135.62 119.02 16.79 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.467 1.104 . . . . 60.55 109.301 179.994 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . 0.407 ' N ' HD13 ' A' ' 60' ' ' LEU . . . -158.4 25.02 0.38 Allowed Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.469 1.106 . . . . 73.22 110.994 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 1.8 m -153.81 170.05 21.9 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.494 0.761 . . . . 51.35 110.008 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -69.44 -31.28 69.5 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.502 1.126 . . . . 70.15 109.303 -179.95 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . 0.442 ' HA ' ' ND2' ' A' ' 67' ' ' ASN . 10.5 tt0 -72.92 -13.24 61.22 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.511 1.132 . . . . 73.21 110.34 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -110.32 -8.19 14.74 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 71.52 109.326 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' TRP . . . . . 0.593 ' CE2' ' NZ ' ' A' ' 70' ' ' LYS . 7.8 t-105 -102.91 -15.27 16.22 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.496 1.122 . . . . 64.15 107.997 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . 0.499 ' ND2' ' N ' ' A' ' 68' ' ' VAL . 0.1 OUTLIER -101.51 -37.41 8.42 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.456 1.098 . . . . 73.52 109.323 -179.996 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . 0.499 ' N ' ' ND2' ' A' ' 67' ' ' ASN . 20.9 t -78.55 -7.85 10.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.458 1.099 . . . . 72.33 109.31 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . 0.543 ' CB ' ' CE2' ' A' ' 50' ' ' TYR . . . -100.1 -30.93 11.68 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.469 1.105 . . . . 62.22 109.299 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . 0.593 ' NZ ' ' CE2' ' A' ' 66' ' ' TRP . 17.5 mtmm -66.18 -41.72 89.87 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.486 1.116 . . . . 64.42 109.264 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 57.9 mt-10 -49.76 -35.83 23.8 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.511 1.132 . . . . 72.32 110.272 -180.0 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' MET . . . . . 0.402 ' O ' ' ND2' ' A' ' 76' ' ' ASN . 2.1 ttt -61.69 -48.01 82.72 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.482 1.113 . . . . 73.33 111.037 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . 0.42 ' CD2' ' OE2' ' A' ' 78' ' ' GLU . 52.8 mt -54.59 -44.56 73.15 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.508 1.13 . . . . 75.22 109.33 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -61.45 -34.89 76.19 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.469 1.106 . . . . 74.41 109.272 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 60.9 mt-10 -78.45 -25.57 45.94 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.496 1.123 . . . . 75.23 110.29 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 76' ' ' ASN . . . . . 0.541 ' N ' HD21 ' A' ' 76' ' ' ASN . 1.4 m-80 -89.94 -15.17 32.58 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.436 1.085 . . . . 71.44 109.277 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 77' ' ' ASN . . . . . 0.414 ' N ' ' O ' ' A' ' 73' ' ' LEU . 37.5 m-80 57.13 40.13 28.5 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.511 1.132 . . . . 75.4 109.324 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . 0.442 ' HB2' ' CD1' ' A' ' 80' ' ' PHE . 18.5 pt-20 -118.72 161.08 20.71 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.449 1.093 . . . . 72.1 110.365 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 2.2 ttpm? -111.85 16.51 20.38 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.517 1.135 . . . . 74.35 109.288 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 80' ' ' PHE . . . . . 0.442 ' CD1' ' HB2' ' A' ' 78' ' ' GLU . 12.6 p90 -142.21 150.67 41.3 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.508 1.13 . . . . 75.34 110.985 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 7.4 tt -130.62 159.85 35.97 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.518 1.136 . . . . 64.5 109.301 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 1.4 t30 -99.49 116.68 32.19 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.486 1.117 . . . . 71.35 109.29 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 46.9 mm -117.18 138.36 48.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.499 1.125 . . . . 75.05 109.298 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 84' ' ' ARG . . . . . 0.421 ' CG ' ' N ' ' A' ' 85' ' ' LEU . 56.9 ttt-85 -111.63 154.96 24.12 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.481 1.113 . . . . 75.54 110.298 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . 0.506 ' CB ' ' O ' ' A' ' 10' ' ' SER . 5.3 tp -153.74 115.74 4.29 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.478 1.111 . . . . 73.23 109.289 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 86' ' ' TYR . . . . . 0.493 ' CG ' ' O ' ' A' ' 86' ' ' TYR . 10.9 p90 . . . . . 0 C--N 1.325 -0.5 0 O-C-N 124.525 1.141 . . . . 74.25 111.022 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 1.3 p . . . . . 0 N--CA 1.453 -0.323 0 N-CA-C 110.012 -0.366 . . . . 43.53 110.012 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . 0.597 ' CD1' ' CD ' ' A' ' 70' ' ' LYS . 28.2 mt -143.05 164.06 16.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.458 1.099 . . . . 74.21 109.307 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . 0.494 ' N ' ' CG2' ' A' ' 5' ' ' ILE . 3.3 tm? -124.84 147.92 48.5 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.482 1.114 . . . . 74.55 109.328 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . 0.56 ' CD2' HG11 ' A' ' 20' ' ' VAL . 11.3 m-85 -147.06 116.5 7.03 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.468 1.105 . . . . 75.22 111.002 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 44.8 mtt180 -89.35 99.75 12.68 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.5 1.125 . . . . 75.43 110.271 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . 0.458 ' CD1' ' HB3' ' A' ' 18' ' ' LEU . 4.6 mp -81.65 112.14 19.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.479 1.112 . . . . 71.32 109.315 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' SER . . . . . 0.42 ' HB3' ' CG2' ' A' ' 15' ' ' ILE . 11.7 p . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.503 1.127 . . . . 74.21 110.015 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . 0.569 ' N ' ' CD1' ' A' ' 15' ' ' ILE . 1.4 mp . . . . . 0 N--CA 1.453 -0.307 0 N-CA-C 109.277 -0.638 . . . . 73.33 109.277 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 29.2 m-85 -121.12 178.77 4.62 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.507 1.129 . . . . 75.1 111.005 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 4.7 p -129.88 135.02 47.88 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.472 1.107 . . . . 74.42 110.396 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.458 ' HB3' ' CD1' ' A' ' 9' ' ' ILE . 1.5 tm? -131.82 122.26 25.46 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.472 1.108 . . . . 72.31 109.329 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.492 ' CD1' ' C ' ' A' ' 19' ' ' LEU . 0.8 OUTLIER -93.69 113.6 25.72 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.473 1.108 . . . . 75.23 109.272 -179.961 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.56 HG11 ' CD2' ' A' ' 7' ' ' PHE . 8.8 p -109.67 148.17 13.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.498 1.124 . . . . 72.34 109.267 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . 0.571 ' HB2' ' CD1' ' A' ' 24' ' ' TRP . 3.7 mm-40 -79.59 171.58 14.95 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.507 1.13 . . . . 73.45 110.32 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 85.6 mttt -91.83 16.46 10.83 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.575 1.172 . . . . 75.14 109.3 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . 0.499 ' O ' ' CG2' ' A' ' 23' ' ' VAL . 0.2 OUTLIER -123.29 0.64 6.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.477 1.111 . . . . 74.42 109.316 -179.982 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' TRP . . . . . 0.571 ' CD1' ' HB2' ' A' ' 21' ' ' GLU . 18.4 m0 -93.07 92.73 7.94 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.504 1.127 . . . . 74.44 107.977 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . 0.413 ' OD1' ' N ' ' A' ' 25' ' ' ASN . 7.3 p-10 -52.61 177.3 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.503 1.127 . . . . 74.44 109.278 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 13.2 p90 -52.98 -32.32 45.59 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.525 1.141 . . . . 75.44 110.985 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 4.8 t0 -65.19 -66.58 0.53 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.5 1.125 . . . . 75.34 109.269 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . 0.513 ' OD1' ' CE3' ' A' ' 24' ' ' TRP . 17.3 t0 -55.19 -27.05 43.07 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.438 1.086 . . . . 75.22 109.274 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.461 ' O ' ' CD1' ' A' ' 33' ' ' ILE . 0.9 OUTLIER -63.02 -46.01 89.63 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.507 1.129 . . . . 73.03 109.305 179.974 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 14.2 mm -69.44 -50.98 46.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.479 1.112 . . . . 74.32 109.29 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 39.2 mmm -63.17 -16.32 59.71 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.43 1.081 . . . . 63.04 111.003 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -76.04 -50.62 14.27 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.518 1.136 . . . . 74.04 109.234 -179.938 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.461 ' CD1' ' O ' ' A' ' 29' ' ' LEU . 3.5 mp -70.38 -39.97 77.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.545 1.153 . . . . 72.43 109.268 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -50.24 -24.05 2.63 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.554 1.158 . . . . 73.32 109.301 -179.953 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' SER . . . . . 0.424 ' O ' ' CB ' ' A' ' 38' ' ' SER . 4.4 m -83.5 -43.61 15.59 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.121 . . . . 74.4 109.991 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . 0.412 ' N ' ' HD2' ' A' ' 36' ' ' LYS . 3.6 mptt -61.46 -35.56 77.96 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.555 1.159 . . . . 74.13 109.315 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . 0.424 ' CD1' HG12 ' A' ' 45' ' ' ILE . 2.6 pt -82.04 -13.11 12.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.556 1.16 . . . . 61.41 109.349 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' SER . . . . . 0.424 ' CB ' ' O ' ' A' ' 35' ' ' SER . 6.4 t . . . . . 0 C--N 1.326 -0.452 0 O-C-N 124.482 1.114 . . . . 73.32 109.972 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 N--CA 1.453 -0.868 0 N-CA-C 110.987 -0.428 . . . . 73.2 110.987 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . 0.465 ' CG2' ' HG ' ' A' ' 85' ' ' LEU . 11.5 pt -116.83 151.47 18.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.534 1.146 . . . . 74.22 109.303 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 42.9 p -119.15 5.61 11.27 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.46 1.1 . . . . 74.25 110.366 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . 0.416 ' CE ' HG23 ' A' ' 59' ' ' VAL . 10.3 ptmt -174.46 132.76 0.37 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.447 1.092 . . . . 71.35 109.287 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 2.4 pt -115.36 123.99 71.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.472 1.107 . . . . 73.41 109.344 179.938 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . 0.422 ' HD3' ' N ' ' A' ' 59' ' ' VAL . 0.0 OUTLIER -87.13 117.11 25.65 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.526 1.141 . . . . 74.3 109.273 -179.959 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' TYR . . . . . 0.556 ' CE1' HG21 ' A' ' 58' ' ' VAL . 3.6 p90 -109.17 139.27 44.3 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.42 1.075 . . . . 74.31 111.029 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 49.6 tt0 -72.78 141.45 48.08 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.522 1.139 . . . . 72.32 110.288 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -113.64 -170.97 1.8 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.537 1.148 . . . . 70.34 109.241 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 2.5 pp20? -65.63 -32.34 73.85 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.497 1.123 . . . . 72.13 110.283 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 3.8 t70 -63.62 -14.29 50.28 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.476 1.11 . . . . 74.01 109.311 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 78.58 37.3 27.38 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.473 1.108 . . . . 73.31 110.995 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 5.4 t70 -136.7 149.0 47.65 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.472 0.748 . . . . 75.35 109.316 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 3.5 m-85 -85.23 113.92 21.95 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.548 1.155 . . . . 73.21 111.023 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . 0.556 HG21 ' CE1' ' A' ' 50' ' ' TYR . 0.0 OUTLIER -109.6 129.87 63.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.454 1.096 . . . . 71.21 109.313 -179.978 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . 0.422 ' N ' ' HD3' ' A' ' 49' ' ' LYS . 1.4 p -55.7 132.99 19.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.51 1.131 . . . . 74.21 109.265 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.427 HD11 ' CB ' ' A' ' 65' ' ' ASP . 0.4 OUTLIER -120.51 124.7 46.03 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.484 1.115 . . . . 74.33 109.298 -179.994 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . 0.406 ' N ' ' CD1' ' A' ' 60' ' ' LEU . . . -166.91 29.67 0.18 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.57 1.168 . . . . 70.1 111.031 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 1.6 p -146.44 161.84 39.55 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.495 0.761 . . . . 73.0 109.987 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 50.4 t0 -65.31 -20.11 66.26 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.484 1.115 . . . . 73.41 109.308 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . 0.501 ' O ' ' CG2' ' A' ' 68' ' ' VAL . 11.1 pt-20 -85.5 -40.91 15.83 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.489 1.118 . . . . 73.55 110.306 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . 0.427 ' CB ' HD11 ' A' ' 60' ' ' LEU . 66.0 m-20 -79.87 1.73 26.0 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.503 1.127 . . . . 74.4 109.313 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' TRP . . . . . 0.561 ' CZ2' ' HE2' ' A' ' 70' ' ' LYS . 1.3 t90 -102.68 -40.9 6.41 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 108.005 -1.109 . . . . 75.2 108.005 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . 0.496 ' OD1' ' C ' ' A' ' 67' ' ' ASN . 0.7 OUTLIER -82.16 -40.81 21.26 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.486 1.116 . . . . 73.33 109.277 -179.945 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . 0.501 ' CG2' ' O ' ' A' ' 64' ' ' GLU . 89.5 t -66.13 -14.53 17.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.515 1.134 . . . . 74.41 109.294 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -89.82 -26.8 20.35 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.491 1.12 . . . . 73.12 109.327 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . 0.597 ' CD ' ' CD1' ' A' ' 5' ' ' ILE . 9.2 mtmp? -83.53 -55.5 4.26 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.547 1.155 . . . . 72.54 109.272 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 88.1 mt-10 -48.1 -31.99 6.28 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.53 1.144 . . . . 74.3 110.315 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 16.1 tpp -63.86 -48.26 77.44 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.47 1.106 . . . . 75.4 110.964 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 8.3 mt -44.9 -50.33 10.5 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.501 1.126 . . . . 64.21 109.326 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -55.2 -40.41 70.73 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.466 1.104 . . . . 74.2 109.301 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 19.9 mm-40 -73.15 -22.96 60.41 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.53 1.144 . . . . 75.14 110.253 -179.947 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 87.1 m-20 -92.0 -10.51 39.0 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.445 1.091 . . . . 71.13 109.271 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 3.2 m-80 61.17 32.45 19.53 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.517 1.136 . . . . 63.25 109.3 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 9.4 pt-20 -117.63 146.43 43.67 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.531 1.145 . . . . 72.1 110.311 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 9.8 mmmm -105.51 29.1 6.8 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.522 1.139 . . . . 75.32 109.312 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 13.3 p90 -152.18 173.63 14.74 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.492 1.12 . . . . 74.21 111.028 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 0.523 ' HB3' ' CD1' ' A' ' 7' ' ' PHE . 3.0 tm? -152.73 140.57 20.07 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.541 1.151 . . . . 74.25 109.283 -179.952 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 82' ' ' ASN . . . . . 0.45 ' C ' ' ND2' ' A' ' 82' ' ' ASN . 0.9 OUTLIER -99.34 141.6 31.91 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.501 1.126 . . . . 73.22 109.313 179.964 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . 0.467 HD13 ' CD1' ' A' ' 81' ' ' LEU . 38.1 mm -128.25 160.28 38.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.487 1.117 . . . . 55.5 109.321 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 40.1 ttt-85 -146.4 153.13 40.13 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.463 1.102 . . . . 72.03 110.302 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . 0.465 ' HG ' ' CG2' ' A' ' 45' ' ' ILE . 2.0 mm? -137.05 139.88 41.65 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.474 1.109 . . . . 74.45 109.315 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 86' ' ' TYR . . . . . 0.408 ' C ' ' O ' ' A' ' 85' ' ' LEU . 3.2 t80 . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.497 1.123 . . . . 74.11 110.96 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.453 -0.305 0 N-CA-C 110.008 -0.367 . . . . 73.43 110.008 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 53.5 mt -132.9 147.22 31.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.475 1.11 . . . . 72.04 109.297 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . 0.423 ' CD1' ' N ' ' A' ' 7' ' ' PHE . 3.2 tm? -95.69 148.77 22.21 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.521 1.138 . . . . 73.53 109.319 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . 0.447 ' CD1' ' HB3' ' A' ' 81' ' ' LEU . 1.2 m-85 -122.29 118.23 28.02 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.503 1.127 . . . . 72.13 111.007 179.95 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 6.0 mtp180 -87.91 84.49 6.99 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.523 1.139 . . . . 74.34 110.313 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 2.0 mp -68.9 109.04 1.8 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.554 1.159 . . . . 75.04 109.278 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' SER . . . . . 0.453 ' O ' ' N ' ' A' ' 85' ' ' LEU . 41.1 m . . . . . 0 C--N 1.324 -0.501 0 O-C-N 124.514 1.134 . . . . 52.22 110.002 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 8.7 mm . . . . . 0 N--CA 1.454 -0.258 0 N-CA-C 109.301 -0.629 . . . . 73.24 109.301 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . 0.557 ' CE1' ' HB3' ' A' ' 36' ' ' LYS . 10.7 t80 -138.27 154.45 49.05 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.517 1.135 . . . . 72.12 110.978 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' THR . . . . . 0.421 ' O ' ' CD1' ' A' ' 16' ' ' PHE . 2.4 p -115.91 150.95 36.27 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.506 1.129 . . . . 74.23 110.396 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.452 ' CD2' HG22 ' A' ' 20' ' ' VAL . 8.2 tt -157.29 133.84 9.89 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.516 1.135 . . . . 73.41 109.291 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.557 ' O ' ' CH2' ' A' ' 24' ' ' TRP . 0.2 OUTLIER -87.21 117.61 26.07 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.457 1.098 . . . . 74.01 109.326 179.969 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.56 ' HA ' ' CZ3' ' A' ' 24' ' ' TRP . 38.5 t -114.51 115.23 48.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.466 1.104 . . . . 73.11 109.315 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . 0.568 ' HB2' ' CD1' ' A' ' 24' ' ' TRP . 21.5 mt-10 -67.81 166.35 15.62 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.45 1.094 . . . . 54.42 110.291 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 5.3 mtpt -89.84 15.59 9.57 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.453 1.096 . . . . 75.55 109.298 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -116.36 -38.58 2.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.524 1.14 . . . . 70.32 109.336 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' TRP . . . . . 0.568 ' CD1' ' HB2' ' A' ' 21' ' ' GLU . 32.8 m0 -45.23 154.72 0.15 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.535 1.147 . . . . 75.5 107.96 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 16.6 p-10 -113.02 -174.2 2.41 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.465 1.103 . . . . 71.51 109.299 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . 0.451 ' CB ' ' C ' ' A' ' 62' ' ' SER . 7.6 p90 -60.42 -29.39 68.95 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.467 1.104 . . . . 72.42 111.016 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 20.9 t0 -72.71 -64.0 1.05 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.491 1.119 . . . . 75.23 109.295 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 81.1 m-20 -53.6 -33.44 54.94 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.463 1.102 . . . . 74.4 109.353 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.448 HD21 ' CD2' ' A' ' 60' ' ' LEU . 2.3 tp -60.04 -62.6 1.75 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.524 1.14 . . . . 75.13 109.315 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 30.9 mm -53.17 -47.02 56.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.522 1.139 . . . . 75.42 109.317 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 37.5 mtp -61.07 -32.9 72.54 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.479 1.112 . . . . 73.22 110.957 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -60.7 -53.14 61.08 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.486 1.117 . . . . 75.22 109.272 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 3.2 mp -65.08 -39.52 85.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 73.23 109.333 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . 0.465 ' N ' HD21 ' A' ' 34' ' ' ASN . 1.1 m-80 -68.1 -15.54 63.64 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.48 1.113 . . . . 74.44 109.258 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 2.6 t -91.47 -37.83 12.93 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.423 1.077 . . . . 73.22 110.028 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . 0.557 ' HB3' ' CE1' ' A' ' 16' ' ' PHE . 1.2 mptt -74.06 -35.13 64.25 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.488 1.118 . . . . 74.44 109.32 179.952 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . 0.45 ' CD1' HG13 ' A' ' 45' ' ' ILE . 2.5 pt -93.84 -3.14 10.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.487 1.117 . . . . 75.5 109.306 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.487 1.117 . . . . 72.25 109.977 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo . . . . . 0 N--CA 1.453 -0.869 0 N-CA-C 110.993 -0.426 . . . . 63.01 110.993 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . 0.468 HG12 ' CD2' ' A' ' 85' ' ' LEU . 1.4 pp -115.49 124.48 72.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.512 1.132 . . . . 72.22 109.346 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 13.9 p -94.57 2.97 55.66 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.456 1.098 . . . . 75.53 110.34 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -142.45 137.5 30.37 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.469 1.106 . . . . 73.34 109.343 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . 0.443 ' O ' ' N ' ' A' ' 60' ' ' LEU . 44.5 pt -126.96 143.32 40.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.501 1.125 . . . . 74.55 109.318 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 16.8 ttmt -110.66 96.61 6.29 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.499 1.124 . . . . 74.33 109.323 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' TYR . . . . . 0.576 ' CE2' ' CB ' ' A' ' 69' ' ' ALA . 9.1 p90 -83.31 152.74 24.97 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.492 1.12 . . . . 75.22 110.939 -179.927 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 43.6 tt0 -80.41 152.15 28.98 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.491 1.12 . . . . 64.35 110.282 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 15.4 t0 -112.74 -176.78 2.98 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.494 1.121 . . . . 75.12 109.313 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . 0.493 ' CB ' ' OD1' ' A' ' 76' ' ' ASN . 14.4 pt-20 -74.68 -16.25 60.77 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.477 1.111 . . . . 73.53 110.299 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -91.42 16.84 9.41 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.477 1.111 . . . . 74.14 109.325 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 51.76 37.63 43.37 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.525 1.141 . . . . 72.1 111.013 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -128.95 129.12 45.02 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.539 0.788 . . . . 64.51 109.252 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 11.6 m-30 -64.26 139.74 58.8 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.498 1.124 . . . . 73.41 110.991 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . 0.539 HG21 ' CE1' ' A' ' 50' ' ' TYR . 0.2 OUTLIER -139.31 139.39 39.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.545 1.153 . . . . 72.14 109.255 -179.976 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . 0.406 HG11 ' N ' ' A' ' 60' ' ' LEU . 57.2 t -62.67 152.72 7.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 O-C-N 124.456 1.097 . . . . 75.45 109.322 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.458 ' CD1' ' C ' ' A' ' 60' ' ' LEU . 0.3 OUTLIER -140.44 118.57 11.96 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.514 1.133 . . . . 74.31 109.291 179.986 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -157.82 24.63 0.42 Allowed Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.505 1.128 . . . . 64.44 110.974 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' SER . . . . . 0.451 ' C ' ' CB ' ' A' ' 26' ' ' PHE . 75.0 m -155.3 176.93 11.93 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.535 0.785 . . . . 54.25 109.983 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 5.9 t0 -83.39 -20.89 33.36 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.49 1.119 . . . . 72.33 109.349 179.938 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . 0.444 ' O ' ' CG ' ' A' ' 64' ' ' GLU . 11.9 tt0 -80.18 -8.41 59.42 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.462 1.101 . . . . 75.33 110.305 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 26.2 m-20 -110.26 -21.01 12.45 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.513 1.133 . . . . 74.23 109.309 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' TRP . . . . . 0.582 ' O ' ' CE3' ' A' ' 66' ' ' TRP . 3.7 t-105 -93.59 -23.56 18.26 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 107.977 -1.12 . . . . 74.13 107.977 -179.943 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 5.6 t30 -88.76 -49.14 7.02 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.509 1.131 . . . . 73.2 109.285 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . 0.409 ' CG2' ' O ' ' A' ' 64' ' ' GLU . 43.8 t -57.11 -27.58 27.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.502 1.126 . . . . 71.53 109.318 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . 0.576 ' CB ' ' CE2' ' A' ' 50' ' ' TYR . . . -77.37 -34.18 55.1 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.513 1.133 . . . . 74.44 109.306 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 2.4 mtmp? -70.53 -55.39 9.01 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.5 1.125 . . . . 71.41 109.303 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 18.0 pt-20 -51.82 -21.11 2.6 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.479 1.112 . . . . 74.11 110.299 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 2.0 tpt -83.76 -31.45 25.96 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.563 1.164 . . . . 74.31 111.032 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 3.9 mt -57.63 -46.31 84.33 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.533 1.146 . . . . 74.4 109.312 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -60.52 -15.86 31.45 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.459 1.099 . . . . 73.42 109.298 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 20.8 mt-10 -97.23 -28.35 14.12 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.483 1.115 . . . . 70.42 110.323 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 76' ' ' ASN . . . . . 0.493 ' OD1' ' CB ' ' A' ' 53' ' ' GLU . 80.2 m-20 -89.26 13.95 12.19 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.492 1.12 . . . . 70.32 109.292 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 25.1 m-80 40.46 32.08 0.13 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.511 1.132 . . . . 74.01 109.34 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . 0.447 ' OE1' ' CB ' ' A' ' 76' ' ' ASN . 8.8 pt-20 -114.58 145.82 41.51 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.518 1.136 . . . . 71.22 110.281 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 23.1 mmtm -111.47 15.2 21.33 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.507 1.129 . . . . 75.34 109.314 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 80' ' ' PHE . . . . . 0.419 ' CE2' ' HB2' ' A' ' 78' ' ' GLU . 29.0 p90 -127.42 -174.78 3.26 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.503 1.127 . . . . 75.14 110.994 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 0.447 ' HB3' ' CD1' ' A' ' 7' ' ' PHE . 1.5 tm? -150.12 163.54 37.94 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.553 1.158 . . . . 72.22 109.257 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 82' ' ' ASN . . . . . 0.451 ' C ' ' ND2' ' A' ' 82' ' ' ASN . 1.0 OUTLIER -131.99 121.08 23.35 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.474 1.109 . . . . 73.13 109.281 -179.965 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . 0.442 ' CD1' HD11 ' A' ' 81' ' ' LEU . 18.0 mm -113.34 162.07 11.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.445 1.09 . . . . 73.25 109.333 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 15.0 ttt180 -126.94 137.28 53.1 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.563 1.164 . . . . 75.22 110.272 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . 0.468 ' CD2' HG12 ' A' ' 45' ' ' ILE . 35.8 mt -137.81 96.9 3.31 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.47 1.106 . . . . 63.34 109.256 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 4.7 t80 . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.126 . . . . 75.44 111.009 179.985 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.453 -0.312 0 N-CA-C 110.014 -0.365 . . . . 73.33 110.014 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 17.7 mt -132.77 140.52 47.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.523 1.14 . . . . 72.24 109.284 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -95.04 148.16 22.64 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.476 1.11 . . . . 73.3 109.341 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . 0.694 ' CD1' ' CG1' ' A' ' 20' ' ' VAL . 4.3 m-85 -133.71 116.85 16.27 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.472 1.108 . . . . 74.02 111.004 -179.956 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . 0.601 ' CG ' ' CG2' ' A' ' 15' ' ' ILE . 2.2 tpp85 -86.14 119.32 26.3 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.513 1.133 . . . . 75.31 110.301 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 4.2 mp -107.38 118.66 55.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.497 1.123 . . . . 64.14 109.287 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 3.5 t . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.547 1.154 . . . . 75.53 109.989 -179.984 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . 0.601 ' CG2' ' CG ' ' A' ' 8' ' ' ARG . 2.4 mm . . . . . 0 N--CA 1.453 -0.302 0 N-CA-C 109.286 -0.635 . . . . 75.53 109.286 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 2.3 t80 -118.76 178.91 4.3 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.504 1.127 . . . . 75.13 110.987 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 2.0 p -136.06 140.14 43.57 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.438 1.086 . . . . 74.43 110.411 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.435 ' CD2' ' HD3' ' A' ' 36' ' ' LYS . 1.5 tm? -148.65 108.24 3.99 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.48 1.112 . . . . 73.4 109.33 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.493 ' CD1' ' C ' ' A' ' 19' ' ' LEU . 0.2 OUTLIER -72.82 109.68 6.59 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.463 1.102 . . . . 74.13 109.287 -179.976 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.694 ' CG1' ' CD1' ' A' ' 7' ' ' PHE . 4.6 p -112.67 120.51 62.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.533 1.145 . . . . 73.32 109.285 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . 0.564 ' HB2' ' CD1' ' A' ' 24' ' ' TRP . 4.3 mm-40 -67.36 170.11 7.85 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.509 1.131 . . . . 75.31 110.275 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 4.7 mtpt -91.16 14.68 13.55 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.55 1.156 . . . . 75.43 109.318 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . 0.471 ' O ' ' CG2' ' A' ' 23' ' ' VAL . 0.3 OUTLIER -121.49 -1.16 7.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.57 1.169 . . . . 73.51 109.265 -179.982 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' TRP . . . . . 0.564 ' CD1' ' HB2' ' A' ' 21' ' ' GLU . 27.7 m0 -81.98 118.26 22.84 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 107.976 -1.12 . . . . 75.33 107.976 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . 0.423 ' OD1' ' N ' ' A' ' 25' ' ' ASN . 10.0 p-10 -70.98 -176.06 1.28 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.52 1.137 . . . . 73.25 109.304 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . 0.513 ' CG ' ' N ' ' A' ' 27' ' ' ASP . 7.5 p90 -64.75 -40.1 94.73 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.555 1.159 . . . . 73.54 111.016 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . 0.513 ' N ' ' CG ' ' A' ' 26' ' ' PHE . 21.5 t0 -60.56 -42.3 96.35 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.505 1.128 . . . . 64.42 109.264 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . 0.449 ' O ' ' N ' ' A' ' 32' ' ' ALA . 70.6 m-20 -73.12 -31.32 64.23 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.503 1.127 . . . . 70.14 109.326 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.45 ' O ' ' CD1' ' A' ' 33' ' ' ILE . 10.9 tp -64.24 -49.17 72.96 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.126 . . . . 75.42 109.327 179.945 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . 0.412 ' CD1' HG12 ' A' ' 48' ' ' ILE . 13.6 mm -64.46 -45.02 96.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.465 1.103 . . . . 74.31 109.318 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 31.1 mmt -71.14 -21.46 62.19 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.514 1.134 . . . . 74.24 110.955 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . 0.449 ' N ' ' O ' ' A' ' 28' ' ' ASP . . . -68.31 -45.02 74.14 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.522 1.139 . . . . 73.01 109.309 -179.949 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.45 ' CD1' ' O ' ' A' ' 29' ' ' LEU . 3.9 mp -79.71 -46.72 22.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.513 1.133 . . . . 74.23 109.301 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . 0.405 ' ND2' HD11 ' A' ' 45' ' ' ILE . 1.4 m-80 -54.52 -22.49 13.14 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.473 1.108 . . . . 65.44 109.288 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 1.5 t -80.25 -42.52 23.04 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.443 1.09 . . . . 75.13 109.976 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . 0.435 ' HD3' ' CD2' ' A' ' 18' ' ' LEU . 1.0 OUTLIER -65.75 -41.97 91.48 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.482 1.114 . . . . 72.0 109.285 -179.999 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 1.9 pt -76.51 -16.12 14.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.469 1.106 . . . . 75.41 109.316 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 3.2 t . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.473 1.108 . . . . 75.21 109.985 -179.989 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 N--CA 1.454 -0.84 0 N-CA-C 110.984 -0.429 . . . . 73.13 110.984 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . 0.419 HD13 ' CG2' ' A' ' 48' ' ' ILE . 1.3 pp -115.47 157.95 16.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.473 1.108 . . . . 75.42 109.27 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 4.1 p -114.86 -7.65 12.6 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.461 1.101 . . . . 73.15 110.413 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 7.2 ptmm? -139.66 109.44 6.32 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.505 1.128 . . . . 64.1 109.312 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . 0.419 ' CG2' HD13 ' A' ' 45' ' ' ILE . 5.0 pt -99.15 141.39 16.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.524 1.14 . . . . 75.15 109.331 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . 0.468 ' HD3' ' CG2' ' A' ' 59' ' ' VAL . 1.3 tppp? -103.04 120.93 41.56 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.471 1.107 . . . . 75.25 109.313 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' TYR . . . . . 0.5 ' CE1' HG22 ' A' ' 58' ' ' VAL . 7.9 p90 -112.13 146.72 37.54 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.556 1.16 . . . . 75.11 111.037 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . 0.406 ' NE2' ' HA2' ' A' ' 55' ' ' GLY . 51.0 tt0 -73.4 156.1 38.66 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.454 1.096 . . . . 74.41 110.274 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 12.4 t0 -113.11 -173.21 2.21 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.522 1.139 . . . . 73.31 109.282 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . 0.415 ' HG2' ' CG ' ' A' ' 72' ' ' MET . 2.7 pp20? -77.71 -5.94 52.27 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.544 1.153 . . . . 62.35 110.277 -179.945 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 24.5 t70 -96.61 -1.11 47.52 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.506 1.129 . . . . 73.51 109.258 -179.95 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . 0.406 ' HA2' ' NE2' ' A' ' 51' ' ' GLN . . . 78.27 0.52 77.96 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.493 1.121 . . . . 62.21 111.015 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 6.8 t0 -84.65 -175.41 5.77 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.472 0.748 . . . . 71.55 109.317 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 3.1 p90 -115.05 130.5 56.95 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.496 1.123 . . . . 75.32 111.004 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . 0.5 HG22 ' CE1' ' A' ' 50' ' ' TYR . 0.0 OUTLIER -132.79 131.32 59.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.49 1.119 . . . . 73.22 109.325 -179.981 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . 0.468 ' CG2' ' HD3' ' A' ' 49' ' ' LYS . 76.4 t -59.2 165.03 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.476 1.11 . . . . 74.52 109.309 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.435 ' HB2' ' CD1' ' A' ' 50' ' ' TYR . 3.2 tp -152.91 120.67 6.06 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.545 1.153 . . . . 74.34 109.287 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -161.84 26.99 0.26 Allowed Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.509 1.131 . . . . 53.22 111.002 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 9.3 m -160.63 162.71 32.82 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.495 0.762 . . . . 75.33 109.991 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -71.09 -29.6 65.5 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.504 1.128 . . . . 74.23 109.262 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . 0.492 ' O ' ' CG2' ' A' ' 68' ' ' VAL . 3.2 tt0 -71.07 -8.13 51.29 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.493 1.121 . . . . 75.34 110.245 -179.918 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 10.8 t0 -110.27 -23.76 11.05 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.508 1.13 . . . . 71.21 109.301 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' TRP . . . . . 0.599 ' O ' ' CE3' ' A' ' 66' ' ' TRP . 3.6 t-105 -91.09 -21.29 21.29 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.544 1.152 . . . . 72.12 108.029 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 81.2 m-20 -95.36 -25.59 16.23 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.552 1.157 . . . . 71.45 109.288 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . 0.492 ' CG2' ' O ' ' A' ' 64' ' ' GLU . 3.6 t -79.73 -14.91 13.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.487 1.117 . . . . 74.22 109.27 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . 0.475 ' HB3' ' CE2' ' A' ' 50' ' ' TYR . . . -93.09 -45.05 8.08 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.482 1.114 . . . . 70.1 109.337 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . 0.569 ' HD3' ' CH2' ' A' ' 66' ' ' TRP . 3.1 mtmp? -52.44 -54.87 26.58 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.495 1.122 . . . . 73.24 109.317 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 33.0 mt-10 -45.73 -32.74 2.63 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.541 1.151 . . . . 74.12 110.293 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 72' ' ' MET . . . . . 0.415 ' CG ' ' HG2' ' A' ' 53' ' ' GLU . 20.3 tpp -72.18 -41.27 67.18 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.514 1.134 . . . . 71.21 110.973 -179.947 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . 0.446 ' O ' ' N ' ' A' ' 77' ' ' ASN . 4.8 mt -52.73 -44.08 66.16 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.518 1.136 . . . . 73.4 109.303 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -57.58 -33.46 68.19 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.573 1.17 . . . . 72.22 109.337 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 76.3 mt-10 -82.16 -24.06 35.23 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.479 1.112 . . . . 74.22 110.323 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 76' ' ' ASN . . . . . 0.627 ' N ' HD21 ' A' ' 76' ' ' ASN . 1.0 OUTLIER -89.31 -16.04 32.04 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.547 1.155 . . . . 75.15 109.322 179.948 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 77' ' ' ASN . . . . . 0.446 ' N ' ' O ' ' A' ' 73' ' ' LEU . 6.2 m-80 60.69 46.12 9.49 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.473 1.108 . . . . 73.33 109.287 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -125.05 154.77 40.82 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.517 1.136 . . . . 74.31 110.301 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 59.4 mmtt -119.97 29.92 7.29 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.517 1.136 . . . . 74.33 109.326 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 7.7 p90 -144.95 170.66 15.72 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.459 1.099 . . . . 72.33 110.977 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 0.514 HD13 ' CZ ' ' A' ' 7' ' ' PHE . 2.0 tt -150.06 158.73 44.46 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.484 1.115 . . . . 75.01 109.315 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 82' ' ' ASN . . . . . 0.411 ' C ' ' ND2' ' A' ' 82' ' ' ASN . 1.2 t30 -115.03 148.87 38.3 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.547 1.154 . . . . 72.11 109.275 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . 0.442 ' N ' ' O ' ' A' ' 8' ' ' ARG . 15.5 mm -137.44 167.31 23.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.494 1.121 . . . . 65.32 109.279 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 84' ' ' ARG . . . . . 0.414 ' N ' HG21 ' A' ' 83' ' ' ILE . 15.8 ttt180 -145.04 126.58 15.06 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.518 1.136 . . . . 73.31 110.285 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . 0.433 ' CD1' HG21 ' A' ' 83' ' ' ILE . 10.8 mp -133.31 139.68 47.01 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.511 1.132 . . . . 74.13 109.336 179.934 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 17.5 t80 . . . . . 0 C--N 1.326 -0.45 0 O-C-N 124.478 1.112 . . . . 73.13 111.028 179.998 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 4' ' ' SER . . . . . 0.425 ' CB ' ' CD1' ' A' ' 19' ' ' LEU . 26.1 m . . . . . 0 N--CA 1.453 -0.311 0 N-CA-C 109.977 -0.379 . . . . 52.54 109.977 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 29.4 mt -126.19 144.75 35.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.532 1.145 . . . . 73.13 109.246 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . 0.422 HD23 ' N ' ' A' ' 7' ' ' PHE . 0.1 OUTLIER -88.73 142.25 27.83 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.469 1.106 . . . . 74.45 109.279 179.976 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . 0.571 ' CD1' HG11 ' A' ' 20' ' ' VAL . 1.0 OUTLIER -122.61 108.51 13.19 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.473 1.108 . . . . 74.34 111.023 179.995 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . 0.6 ' CZ ' ' CE1' ' A' ' 80' ' ' PHE . 91.9 mtt180 -86.11 112.94 21.76 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.442 1.089 . . . . 72.21 110.303 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . 0.464 HG21 ' CD1' ' A' ' 85' ' ' LEU . 3.9 mp -98.67 101.66 12.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.49 1.119 . . . . 75.52 109.332 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' SER . . . . . 0.487 ' CB ' ' CD1' ' A' ' 15' ' ' ILE . 1.4 p . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.513 1.133 . . . . 64.13 110.053 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . 0.487 ' CD1' ' CB ' ' A' ' 10' ' ' SER . 3.2 mm . . . . . 0 N--CA 1.454 -0.265 0 N-CA-C 109.303 -0.628 . . . . 73.45 109.303 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 4.4 m-85 -102.46 174.69 5.79 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.509 1.13 . . . . 74.14 111.021 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 2.0 p -132.53 125.57 30.89 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.54 1.15 . . . . 74.02 110.381 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.466 ' CD1' ' HB ' ' A' ' 20' ' ' VAL . 0.8 OUTLIER -134.94 110.24 8.99 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.503 1.127 . . . . 72.44 109.289 -179.98 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.425 ' CD1' ' CB ' ' A' ' 4' ' ' SER . 0.1 OUTLIER -67.3 102.22 1.05 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.461 1.1 . . . . 72.33 109.322 179.984 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.571 HG11 ' CD1' ' A' ' 7' ' ' PHE . 6.3 p -106.22 112.24 38.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.445 1.09 . . . . 64.42 109.296 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . 0.568 ' HB2' ' CD1' ' A' ' 24' ' ' TRP . 5.2 mm-40 -52.94 169.8 0.09 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.525 1.141 . . . . 70.52 110.266 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -89.22 15.42 8.95 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.471 1.107 . . . . 64.33 109.294 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . 0.478 ' O ' ' CG2' ' A' ' 23' ' ' VAL . 0.8 OUTLIER -125.5 2.97 4.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.518 1.137 . . . . 74.44 109.259 -179.951 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' TRP . . . . . 0.568 ' CD1' ' HB2' ' A' ' 21' ' ' GLU . 33.0 m0 -86.33 87.55 7.45 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.529 1.143 . . . . 75.35 108.005 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . 0.441 ' HA ' ' CE2' ' A' ' 66' ' ' TRP . 15.2 p-10 -55.53 -178.92 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.505 1.128 . . . . 75.23 109.279 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 19.3 p90 -53.73 -31.23 47.5 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.467 1.104 . . . . 74.52 111.017 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 15.7 t0 -67.05 -64.51 0.84 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.536 1.147 . . . . 72.51 109.282 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . 0.486 ' O ' ' CB ' ' A' ' 32' ' ' ALA . 0.9 OUTLIER -58.14 -17.84 21.26 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.127 . . . . 73.43 109.321 179.992 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.505 ' CD1' ' CD1' ' A' ' 33' ' ' ILE . 0.1 OUTLIER -75.94 -58.38 3.32 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.541 1.151 . . . . 73.14 109.296 179.943 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . 0.444 ' O ' ' ND2' ' A' ' 34' ' ' ASN . 25.2 mm -58.21 -40.07 76.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.482 1.114 . . . . 75.11 109.304 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 25.5 mmm -75.64 -19.3 59.28 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.504 1.128 . . . . 75.02 111.014 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . 0.486 ' CB ' ' O ' ' A' ' 28' ' ' ASP . . . -73.93 -67.01 0.64 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.548 1.155 . . . . 73.02 109.265 -179.957 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.505 ' CD1' ' CD1' ' A' ' 29' ' ' LEU . 3.8 mp -58.36 -32.54 45.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.514 1.134 . . . . 72.32 109.3 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . 0.444 ' ND2' ' O ' ' A' ' 30' ' ' ILE . 0.7 OUTLIER -55.43 -20.36 12.09 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.501 1.126 . . . . 74.13 109.266 -179.965 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 8.6 t -92.7 -21.99 19.66 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.484 1.115 . . . . 74.04 110.024 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . 0.454 ' HD2' ' CD2' ' A' ' 18' ' ' LEU . 0.0 OUTLIER -77.19 -42.35 37.91 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.487 1.117 . . . . 75.45 109.288 -179.99 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . 0.469 HD13 ' CB ' ' A' ' 44' ' ' PRO . 13.4 pt -80.24 -16.0 12.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.52 1.138 . . . . 72.02 109.246 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 11.0 t . . . . . 0 C--N 1.324 -0.514 0 O-C-N 124.529 1.143 . . . . 71.34 109.985 -179.959 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . 0.469 ' CB ' HD13 ' A' ' 37' ' ' ILE . 18.2 Cg_endo . . . . . 0 N--CA 1.453 -0.9 0 N-CA-C 111.011 -0.419 . . . . 75.54 111.011 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 1.3 pp -132.95 168.1 25.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.483 1.115 . . . . 74.33 109.33 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 3.2 p -129.17 4.65 5.26 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.501 1.126 . . . . 74.35 110.393 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -142.68 163.68 32.15 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.524 1.14 . . . . 74.24 109.287 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . 0.461 ' HB ' ' CG2' ' A' ' 83' ' ' ILE . 4.6 pt -150.9 163.15 3.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.515 1.134 . . . . 73.2 109.28 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . 0.415 ' HG3' ' N ' ' A' ' 59' ' ' VAL . 23.8 tttt -122.81 91.88 3.59 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.502 1.126 . . . . 74.41 109.316 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' TYR . . . . . 0.526 ' CE1' HG21 ' A' ' 58' ' ' VAL . 6.5 p90 -81.59 151.24 27.77 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.451 1.094 . . . . 74.41 111.014 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . 0.404 ' O ' ' CD2' ' A' ' 50' ' ' TYR . 36.4 tt0 -75.97 153.7 36.39 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.524 1.14 . . . . 75.12 110.315 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . 0.452 ' OD1' ' N ' ' A' ' 54' ' ' ASP . 18.1 p30 -120.69 -173.13 2.52 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.516 1.135 . . . . 72.53 109.287 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 5.2 pt-20 -72.04 -23.87 61.45 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.544 1.152 . . . . 74.22 110.264 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . 0.452 ' N ' ' OD1' ' A' ' 52' ' ' ASP . 0.2 OUTLIER -80.09 1.45 27.87 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.518 1.136 . . . . 73.31 109.254 -179.969 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 64.13 20.49 64.99 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.505 1.128 . . . . 54.2 111.005 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 19.5 m-20 -115.31 124.64 51.82 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.56 0.8 . . . . 61.22 109.273 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 5.7 p90 -54.13 139.71 34.44 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.483 1.115 . . . . 75.2 110.964 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . 0.526 HG21 ' CE1' ' A' ' 50' ' ' TYR . 0.1 OUTLIER -139.11 135.95 42.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.443 1.089 . . . . 72.43 109.307 179.982 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . 0.415 ' N ' ' HG3' ' A' ' 49' ' ' LYS . 68.2 t -58.12 159.95 1.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.469 1.106 . . . . 73.44 109.273 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.464 ' CD1' ' C ' ' A' ' 60' ' ' LEU . 0.3 OUTLIER -157.83 116.35 3.14 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.549 1.156 . . . . 73.22 109.315 179.99 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -155.22 25.84 0.61 Allowed Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.525 1.14 . . . . 50.42 111.019 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 3.5 p -149.69 167.62 25.91 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.462 0.742 . . . . 71.1 110.006 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 1.1 p-10 -74.86 -29.74 61.12 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.444 1.09 . . . . 74.12 109.282 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . 0.492 ' O ' ' CG2' ' A' ' 68' ' ' VAL . 8.7 tt0 -69.81 -17.79 63.42 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.518 1.136 . . . . 73.33 110.256 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 16.0 t0 -109.36 -15.49 14.24 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.513 1.133 . . . . 73.35 109.319 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' TRP . . . . . 0.509 ' CZ2' ' HE2' ' A' ' 70' ' ' LYS . 0.0 OUTLIER -93.17 -22.01 19.31 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.568 1.168 . . . . 73.45 108.024 179.951 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 7.6 t30 -96.53 -36.27 10.82 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.519 1.137 . . . . 72.23 109.312 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . 0.492 ' CG2' ' O ' ' A' ' 64' ' ' GLU . 73.8 t -75.78 -16.79 15.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.593 1.183 . . . . 75.4 109.262 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . 0.505 ' CB ' ' CE2' ' A' ' 50' ' ' TYR . . . -89.16 -38.82 14.01 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.538 1.149 . . . . 73.43 109.339 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . 0.509 ' HE2' ' CZ2' ' A' ' 66' ' ' TRP . 4.9 mtmp? -70.37 -48.55 55.74 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.529 1.143 . . . . 72.51 109.357 179.932 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 9.6 pt-20 -55.82 -18.9 9.72 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.551 1.157 . . . . 64.35 110.289 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 72' ' ' MET . . . . . 0.405 ' HG2' ' ND2' ' A' ' 76' ' ' ASN . 14.9 ttm -81.63 -29.65 33.14 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.533 1.146 . . . . 74.43 110.964 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . 0.464 HD21 ' CG ' ' A' ' 78' ' ' GLU . 12.2 mt -52.77 -52.38 56.84 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.121 . . . . 70.45 109.284 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -55.73 -19.43 10.99 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.457 1.098 . . . . 74.33 109.253 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -90.41 -29.29 18.1 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.52 1.137 . . . . 74.44 110.326 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 76' ' ' ASN . . . . . 0.581 ' N ' HD21 ' A' ' 76' ' ' ASN . 1.0 OUTLIER -84.95 -1.84 57.19 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.532 1.145 . . . . 73.11 109.272 179.969 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 2.3 m-80 60.66 20.73 10.68 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.481 1.113 . . . . 71.1 109.273 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . 0.464 ' CG ' HD21 ' A' ' 73' ' ' LEU . 11.1 pt-20 -105.89 148.37 27.68 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.512 1.133 . . . . 74.41 110.298 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 16.1 mtmt -110.67 19.31 18.78 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.514 1.134 . . . . 74.33 109.281 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 80' ' ' PHE . . . . . 0.6 ' CE1' ' CZ ' ' A' ' 8' ' ' ARG . 5.4 p90 -142.57 170.13 16.28 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.499 1.124 . . . . 73.33 110.999 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 0.569 HD21 ' CE1' ' A' ' 7' ' ' PHE . 3.5 tp -136.88 140.91 42.68 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.511 1.132 . . . . 74.11 109.265 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 82' ' ' ASN . . . . . 0.463 ' N ' ' CD1' ' A' ' 81' ' ' LEU . 1.0 OUTLIER -114.17 119.88 38.6 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.512 1.132 . . . . 64.43 109.298 179.97 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . 0.461 ' CG2' ' HB ' ' A' ' 48' ' ' ILE . 33.5 mm -101.14 162.66 3.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.491 1.119 . . . . 74.41 109.288 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 3.4 tpp180 -136.09 120.52 18.08 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.491 1.119 . . . . 75.15 110.293 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . 0.464 ' CD1' HG21 ' A' ' 9' ' ' ILE . 8.8 mp -101.93 147.72 26.2 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.464 1.103 . . . . 72.54 109.322 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 86' ' ' TYR . . . . . 0.571 ' CD1' ' C ' ' A' ' 86' ' ' TYR . 1.5 p90 . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.509 1.13 . . . . 70.13 110.986 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 N--CA 1.452 -0.916 0 N-CA-C 111.024 -0.414 . . . . 73.31 111.024 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 4.1 pp -75.09 149.89 38.99 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.527 1.142 . . . . 74.51 109.308 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -166.65 -66.7 0.03 OUTLIER Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.537 1.148 . . . . 62.15 110.964 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -136.61 167.59 21.11 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.521 0.777 . . . . 63.23 109.985 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . 0.452 HD12 ' CD1' ' A' ' 73' ' ' LEU . 44.8 mt -133.5 148.24 30.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.53 1.144 . . . . 62.02 109.296 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.411 ' O ' ' N ' ' A' ' 81' ' ' LEU . 1.0 OUTLIER -109.49 146.97 33.7 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.447 1.092 . . . . 75.14 109.284 -179.997 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 1.8 m-30 -120.39 122.78 41.5 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.541 1.151 . . . . 75.41 110.997 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 8.3 ttp180 -99.24 84.88 3.09 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.508 1.13 . . . . 73.13 110.325 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.417 HG22 ' CD2' ' A' ' 85' ' ' LEU . 3.2 mp -58.53 110.77 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.479 1.112 . . . . 74.22 109.245 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 3.8 m -106.6 107.13 17.99 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.532 1.145 . . . . 72.24 110.003 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . 0.569 ' CE2' HD21 ' A' ' 85' ' ' LEU . 0.8 OUTLIER -96.19 -165.42 1.28 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.506 1.129 . . . . 74.02 110.998 179.984 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 58.2 t30 -59.3 -49.64 77.06 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.479 1.112 . . . . 72.14 109.324 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -144.68 18.59 1.66 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.54 1.15 . . . . 61.3 109.968 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 14.6 mm-40 -119.44 150.07 40.82 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.465 1.103 . . . . 75.31 110.274 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 15.8 mm -140.97 132.01 28.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.459 1.099 . . . . 74.41 109.279 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . 0.487 ' CE2' ' HB3' ' A' ' 36' ' ' LYS . 57.9 t80 -147.38 154.69 41.19 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.477 1.111 . . . . 74.24 110.98 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 2.2 p -116.79 134.05 55.27 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.54 1.15 . . . . 53.42 110.336 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.481 ' CD2' ' C ' ' A' ' 18' ' ' LEU . 3.4 tt -134.42 127.84 32.36 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.482 1.114 . . . . 60.03 109.281 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.474 ' CD1' ' C ' ' A' ' 19' ' ' LEU . 0.8 OUTLIER -85.51 112.22 20.72 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.466 1.104 . . . . 72.33 109.321 179.974 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 6.9 p -113.25 122.08 66.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.539 1.149 . . . . 73.13 109.275 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . 0.566 ' HB2' ' CD1' ' A' ' 24' ' ' TRP . 18.9 mm-40 -63.78 167.46 5.96 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.503 1.127 . . . . 74.11 110.33 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 1.3 mtpm? -93.09 18.55 9.12 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.471 1.107 . . . . 74.43 109.277 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . 0.487 ' O ' ' CG2' ' A' ' 23' ' ' VAL . 0.4 OUTLIER -124.2 1.73 5.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 O-C-N 124.504 1.128 . . . . 75.53 109.297 -179.984 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' TRP . . . . . 0.566 ' CD1' ' HB2' ' A' ' 21' ' ' GLU . 21.1 m0 -93.63 94.81 8.81 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.575 1.172 . . . . 75.02 108.027 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . 0.529 ' ND2' ' N ' ' A' ' 25' ' ' ASN . 0.1 OUTLIER -50.77 -178.89 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.51 1.131 . . . . 54.45 109.281 -179.995 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 21.5 p90 -57.48 -28.49 63.45 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.535 1.147 . . . . 75.25 110.989 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -66.03 -72.89 0.14 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.488 1.118 . . . . 74.45 109.285 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . 0.462 ' H ' ' ND2' ' A' ' 25' ' ' ASN . 74.7 m-20 -51.41 -32.48 26.48 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.537 1.148 . . . . 74.32 109.316 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.467 ' CD1' ' CD1' ' A' ' 33' ' ' ILE . 1.2 tp -60.71 -61.74 2.37 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.492 1.12 . . . . 64.52 109.276 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 29.0 mm -54.71 -34.37 29.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.518 1.136 . . . . 70.41 109.293 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 2.9 mmt -76.02 -25.05 55.33 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.476 1.11 . . . . 74.35 111.0 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . 0.42 ' N ' ' O ' ' A' ' 28' ' ' ASP . . . -68.55 -48.27 64.71 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.513 1.133 . . . . 74.11 109.302 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.467 ' CD1' ' CD1' ' A' ' 29' ' ' LEU . 4.0 mp -73.17 -38.6 55.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.47 1.106 . . . . 75.01 109.291 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 1.4 m-80 -66.02 -15.75 63.31 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.462 1.101 . . . . 74.24 109.318 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 3.7 m -86.3 -47.55 9.29 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.541 1.151 . . . . 74.34 109.981 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . 0.487 ' HB3' ' CE2' ' A' ' 16' ' ' PHE . 0.0 OUTLIER -65.52 -47.16 76.88 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.501 1.126 . . . . 75.33 109.287 -179.993 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . 0.452 ' CD1' HG13 ' A' ' 45' ' ' ILE . 1.4 pt -72.49 -9.88 13.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.463 1.102 . . . . 73.43 109.265 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' SER . . . . . 0.406 ' O ' ' N ' ' A' ' 41' ' ' HIS . 3.0 t -56.9 -17.6 10.12 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.509 1.13 . . . . 72.54 110.024 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . 0.404 ' C ' ' O ' ' A' ' 38' ' ' SER . 30.2 t30 -40.23 -48.57 2.61 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.507 1.13 . . . . 63.12 109.344 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' THR . . . . . 0.469 ' OG1' ' CG1' ' A' ' 42' ' ' ILE . 6.0 t -69.93 -40.47 75.51 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.503 1.127 . . . . 71.12 110.354 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' HIS . . . . . 0.442 ' ND1' ' O ' ' A' ' 40' ' ' THR . 10.1 p80 46.84 38.85 6.5 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.493 1.12 . . . . 70.34 109.582 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . 0.469 ' CG1' ' OG1' ' A' ' 40' ' ' THR . 1.6 pp -119.35 -40.75 2.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.507 1.129 . . . . 64.42 109.308 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 4.9 p -170.17 97.4 0.46 Allowed Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.509 1.131 . . . . 75.1 109.977 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 -162.23 0.14 Allowed 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.507 1.793 . . . . 73.32 111.029 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . 0.452 HG13 ' CD1' ' A' ' 37' ' ' ILE . 1.5 pp -126.46 151.47 33.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.481 1.113 . . . . 74.45 109.285 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 15.8 p -120.34 -1.42 10.22 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.513 1.133 . . . . 53.2 110.397 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 3.0 mtpm? -133.02 126.1 31.17 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.53 1.144 . . . . 75.41 109.32 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . 0.453 ' HB ' ' CG2' ' A' ' 83' ' ' ILE . 36.1 pt -125.9 129.28 72.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.449 1.093 . . . . 70.53 109.34 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . 0.423 ' HZ3' ' N ' ' A' ' 59' ' ' VAL . 7.6 tttm -103.28 108.84 20.22 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.443 1.089 . . . . 71.21 109.345 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' TYR . . . . . 0.572 ' CE2' ' OD1' ' A' ' 52' ' ' ASP . 7.9 p90 -98.85 149.29 23.06 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.514 1.134 . . . . 75.5 110.989 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . 0.429 ' O ' ' CD2' ' A' ' 50' ' ' TYR . 44.8 tt0 -76.13 159.48 30.68 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.465 1.103 . . . . 72.14 110.314 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . 0.572 ' OD1' ' CE2' ' A' ' 50' ' ' TYR . 22.1 m-20 -121.89 173.12 7.7 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.499 1.124 . . . . 71.31 109.322 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . 0.492 ' CB ' ' OD1' ' A' ' 76' ' ' ASN . 2.2 pp20? -56.57 -49.44 74.85 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.566 1.166 . . . . 70.34 110.342 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . 0.439 ' N ' ' CD ' ' A' ' 53' ' ' GLU . 26.8 t70 -52.65 -21.67 4.24 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.486 1.116 . . . . 72.54 109.279 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 94.52 8.28 59.81 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.462 1.101 . . . . 73.51 111.027 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -100.75 134.99 42.91 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.53 0.782 . . . . 71.41 109.28 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . 0.403 ' CD1' ' O ' ' A' ' 57' ' ' PHE . 9.7 p90 -68.81 142.5 54.86 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.508 1.13 . . . . 74.1 110.976 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -139.58 142.65 32.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.547 1.154 . . . . 74.14 109.302 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . 0.423 ' N ' ' HZ3' ' A' ' 49' ' ' LYS . 4.4 t -63.75 150.77 9.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.465 1.103 . . . . 75.1 109.315 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.417 ' HB2' ' CD1' ' A' ' 50' ' ' TYR . 1.3 tp -145.41 114.1 6.81 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.498 1.124 . . . . 72.05 109.331 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -151.76 20.73 0.9 Allowed Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.46 1.1 . . . . 73.23 111.042 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 87.6 p -151.06 173.39 14.4 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.532 0.784 . . . . 71.35 109.975 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 22.0 t0 -78.36 -30.61 48.1 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.527 1.142 . . . . 62.22 109.279 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . 0.491 ' O ' ' CG2' ' A' ' 68' ' ' VAL . 2.7 tt0 -69.4 -13.54 62.42 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.479 1.112 . . . . 75.0 110.309 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -111.7 -15.95 13.32 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.493 1.121 . . . . 62.31 109.305 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' TRP . . . . . 0.578 ' O ' ' CE3' ' A' ' 66' ' ' TRP . 3.8 t-105 -92.41 -24.04 18.99 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.532 1.145 . . . . 74.32 107.984 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 75.4 m-20 -94.47 -49.69 5.56 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.511 1.132 . . . . 61.33 109.301 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . 0.491 ' CG2' ' O ' ' A' ' 64' ' ' GLU . 12.4 t -50.08 -24.01 1.79 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.501 1.126 . . . . 74.02 109.28 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . 0.565 ' CB ' ' CE2' ' A' ' 50' ' ' TYR . . . -87.57 -41.83 13.17 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.452 1.095 . . . . 65.23 109.32 -179.948 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . 0.564 ' HD3' ' CZ2' ' A' ' 66' ' ' TRP . 4.7 mtmp? -54.53 -55.72 26.26 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.485 1.116 . . . . 64.55 109.288 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 18.5 mt-10 -52.29 -20.91 2.99 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.526 1.141 . . . . 75.14 110.306 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' MET . . . . . 0.418 ' O ' ' N ' ' A' ' 75' ' ' GLU . 17.8 ttm -81.52 -36.4 29.23 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.583 1.177 . . . . 75.42 111.01 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . 0.452 ' CD1' HD12 ' A' ' 5' ' ' ILE . 17.4 mt -47.13 -46.09 22.87 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.546 1.154 . . . . 72.13 109.316 -179.947 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -59.59 -35.33 74.09 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.509 1.131 . . . . 72.12 109.276 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . 0.418 ' N ' ' O ' ' A' ' 72' ' ' MET . 10.2 mm-40 -78.98 -23.31 44.54 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.528 1.143 . . . . 74.41 110.283 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' ASN . . . . . 0.492 ' OD1' ' CB ' ' A' ' 53' ' ' GLU . 72.4 m-20 -91.9 -15.08 28.59 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.53 1.144 . . . . 73.44 109.28 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . 0.442 ' N ' ' O ' ' A' ' 73' ' ' LEU . 44.9 m-80 61.6 38.17 15.64 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.488 1.118 . . . . 75.44 109.292 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . 0.556 ' HB2' ' CZ ' ' A' ' 80' ' ' PHE . 4.7 pt-20 -126.27 121.42 32.6 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.472 1.107 . . . . 74.24 110.288 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -85.18 3.8 37.48 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.463 1.102 . . . . 74.33 109.286 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' PHE . . . . . 0.556 ' CZ ' ' HB2' ' A' ' 78' ' ' GLU . 5.1 p90 -115.46 -179.83 3.76 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.537 1.148 . . . . 64.01 111.013 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.465 HD12 ' CD1' ' A' ' 83' ' ' ILE . 2.1 tm? -152.93 160.05 43.01 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.481 1.113 . . . . 75.32 109.275 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' ASN . . . . . 0.434 ' C ' ' ND2' ' A' ' 82' ' ' ASN . 1.1 t30 -126.76 127.25 44.76 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.519 1.137 . . . . 71.11 109.32 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . 0.465 ' CD1' HD12 ' A' ' 81' ' ' LEU . 45.7 mm -120.02 148.1 23.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.457 1.098 . . . . 75.03 109.322 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 10.2 tpt180 -108.58 134.18 51.69 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.467 1.104 . . . . 73.5 110.288 -179.939 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . 0.569 HD21 ' CE2' ' A' ' 11' ' ' TYR . 6.7 mp -127.1 107.61 10.19 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.51 1.131 . . . . 75.23 109.309 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 39.6 p90 . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.541 1.15 . . . . 74.23 110.994 -179.957 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 N--CA 1.453 -0.894 0 N-CA-C 111.018 -0.416 . . . . 74.21 111.018 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 10.6 mt -93.58 -74.73 0.52 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.472 1.107 . . . . 73.4 109.301 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 43.53 42.86 6.05 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.543 1.152 . . . . 72.33 110.989 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' SER . . . . . 0.449 ' CB ' HD13 ' A' ' 19' ' ' LEU . 0.7 OUTLIER -170.94 -173.53 1.34 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.524 0.779 . . . . 75.42 110.025 -179.999 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 56.7 mt -135.01 150.82 30.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.505 1.128 . . . . 73.53 109.3 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.471 ' CD1' ' N ' ' A' ' 7' ' ' PHE . 3.0 tm? -99.75 148.92 23.87 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.518 1.136 . . . . 72.34 109.294 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . 0.568 ' CZ ' HD12 ' A' ' 81' ' ' LEU . 1.9 m-85 -124.09 126.55 46.41 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.492 1.12 . . . . 74.31 110.993 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 1.2 mpt_? -95.59 85.12 4.09 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.47 1.107 . . . . 72.2 110.315 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.411 HG12 ' CG1' ' A' ' 33' ' ' ILE . 5.2 mp -77.18 115.67 19.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.506 1.129 . . . . 74.33 109.323 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' SER . . . . . 0.411 ' O ' ' N ' ' A' ' 85' ' ' LEU . 2.6 p -94.68 133.71 38.05 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.522 1.139 . . . . 71.23 109.997 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 2.0 t80 -160.82 129.97 4.79 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.472 1.107 . . . . 71.32 110.956 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . 0.564 ' O ' ' CB ' ' A' ' 13' ' ' SER . 27.0 t30 65.27 11.38 7.22 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.511 1.132 . . . . 74.3 109.285 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' SER . . . . . 0.564 ' CB ' ' O ' ' A' ' 12' ' ' ASN . 1.0 OUTLIER 89.9 14.99 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.505 1.128 . . . . 71.13 109.962 179.978 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 4.3 mt-10 -116.7 133.53 55.9 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.474 1.109 . . . . 74.23 110.31 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 3.4 mm -87.56 132.87 31.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.507 1.129 . . . . 74.34 109.274 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 90.7 m-85 -123.17 141.28 52.14 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.519 1.137 . . . . 74.1 110.986 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 2.4 p -98.16 142.21 30.13 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.484 1.115 . . . . 74.25 110.348 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.441 HD21 ' CE ' ' A' ' 36' ' ' LYS . 2.3 tm? -153.86 111.79 3.54 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.565 1.166 . . . . 74.21 109.267 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.555 ' O ' ' CZ3' ' A' ' 24' ' ' TRP . 0.2 OUTLIER -61.66 118.14 6.7 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.529 1.143 . . . . 73.45 109.301 179.992 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.481 HG22 ' CG ' ' A' ' 7' ' ' PHE . 2.3 t -114.32 100.59 10.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.479 1.112 . . . . 73.41 109.305 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . 0.556 ' HB2' ' CD1' ' A' ' 24' ' ' TRP . 63.1 mt-10 -54.75 163.04 1.03 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.469 1.106 . . . . 74.22 110.259 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 23.0 mttt -90.26 15.64 10.07 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.538 1.149 . . . . 73.35 109.29 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . 0.404 ' CG1' ' HB3' ' A' ' 21' ' ' GLU . 0.2 OUTLIER -116.43 -38.63 2.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.126 . . . . 72.0 109.28 -179.987 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' TRP . . . . . 0.556 ' CD1' ' HB2' ' A' ' 21' ' ' GLU . 33.9 m0 -45.77 153.94 0.25 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.502 1.126 . . . . 74.14 108.011 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 20.7 p-10 -113.37 -174.95 2.56 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.548 1.155 . . . . 61.25 109.292 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 5.3 p90 -55.95 -29.06 59.59 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.522 1.139 . . . . 75.23 110.96 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 3.9 t70 -74.85 -73.87 0.22 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.495 1.122 . . . . 72.11 109.307 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . 0.44 ' O ' ' N ' ' A' ' 32' ' ' ALA . 49.7 m-20 -42.0 -37.24 1.31 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.525 1.14 . . . . 63.21 109.334 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 3.2 tp -54.67 -56.69 16.51 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.472 1.107 . . . . 74.13 109.269 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 32.1 mm -57.03 -49.51 79.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.469 1.106 . . . . 73.3 109.297 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 39.5 mtp -62.85 -22.6 66.8 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.476 1.11 . . . . 75.13 110.973 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . 0.44 ' N ' ' O ' ' A' ' 28' ' ' ASP . . . -73.4 -52.3 14.24 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.443 1.09 . . . . 73.35 109.316 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.418 ' N ' HD13 ' A' ' 33' ' ' ILE . 2.2 mp -67.67 -33.34 61.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.536 1.147 . . . . 73.11 109.292 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -59.69 -16.41 26.52 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.478 1.111 . . . . 75.03 109.293 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 8.2 t -83.68 -32.13 25.75 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.533 1.145 . . . . 74.0 109.978 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . 0.441 ' CE ' HD21 ' A' ' 18' ' ' LEU . 0.6 OUTLIER -82.11 -38.1 25.31 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.501 1.125 . . . . 74.43 109.314 -179.957 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . 0.469 HD12 ' CG2' ' A' ' 45' ' ' ILE . 3.6 pt -87.29 10.75 1.56 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.503 1.127 . . . . 74.11 109.318 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -78.52 52.89 1.22 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.498 1.124 . . . . 72.3 109.986 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . 0.434 ' CG ' ' N ' ' A' ' 40' ' ' THR . 2.6 p-10 -120.46 -42.41 2.55 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.45 1.094 . . . . 74.44 109.301 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' THR . . . . . 0.434 ' N ' ' CG ' ' A' ' 39' ' ' ASN . 60.7 p -73.14 160.2 32.35 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.488 1.118 . . . . 72.4 110.414 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 5.3 m80 -128.38 35.24 4.43 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.495 1.122 . . . . 75.14 109.564 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . 0.502 ' O ' ' CB ' ' A' ' 43' ' ' SER . 3.3 pt -113.1 -34.85 2.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.528 1.143 . . . . 73.04 109.326 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' SER . . . . . 0.502 ' CB ' ' O ' ' A' ' 42' ' ' ILE . 1.4 t 159.61 142.03 0.01 OUTLIER Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.478 1.111 . . . . 72.22 110.028 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 -161.96 0.14 Allowed 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.52 1.8 . . . . 74.11 111.004 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . 0.469 ' CG2' HD12 ' A' ' 37' ' ' ILE . 40.6 pt -102.19 123.53 55.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.558 1.161 . . . . 74.03 109.296 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -100.37 4.81 44.19 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.527 1.142 . . . . 75.13 110.418 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 10.4 ptmm? -163.97 133.82 4.09 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.533 1.145 . . . . 72.45 109.31 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . 0.466 ' CG2' HD11 ' A' ' 45' ' ' ILE . 42.9 pt -121.87 133.8 67.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.461 1.101 . . . . 73.55 109.299 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 8.3 ttmm -103.24 103.49 13.53 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.487 1.117 . . . . 74.05 109.306 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' TYR . . . . . 0.563 ' CE2' ' HB2' ' A' ' 69' ' ' ALA . 6.5 p90 -95.48 145.85 24.87 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.476 1.11 . . . . 73.22 110.983 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . 0.453 ' O ' ' CD2' ' A' ' 50' ' ' TYR . 48.7 tt0 -72.98 163.51 28.06 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.547 1.154 . . . . 75.5 110.267 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . 0.426 ' N ' ' CG ' ' A' ' 51' ' ' GLN . 3.8 t70 -118.28 -174.95 2.77 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.501 1.125 . . . . 75.1 109.278 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 23.1 pt-20 -73.55 -37.28 65.61 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.545 1.153 . . . . 74.24 110.295 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 17.6 t70 -68.48 -15.56 63.59 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.516 1.135 . . . . 73.32 109.305 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 91.79 15.72 53.76 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.485 1.116 . . . . 63.41 110.981 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 24.0 m-20 -104.78 126.99 52.42 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.486 0.756 . . . . 75.03 109.27 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 12.6 p90 -62.49 140.18 58.6 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.552 1.158 . . . . 74.31 110.994 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . 0.486 HG21 ' CE1' ' A' ' 50' ' ' TYR . 0.1 OUTLIER -140.53 138.73 35.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.536 1.147 . . . . 75.34 109.347 179.991 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 58.8 t -62.06 151.96 7.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.496 1.122 . . . . 75.41 109.264 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.521 ' HB2' ' CD1' ' A' ' 50' ' ' TYR . 1.5 tp -144.85 113.36 6.65 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.522 1.139 . . . . 72.23 109.328 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -152.0 22.46 0.89 Allowed Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.542 1.151 . . . . 73.2 111.032 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 7.9 m -150.39 171.1 17.56 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.468 0.746 . . . . 75.53 109.993 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -74.77 -30.02 61.32 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 64.12 109.255 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . 0.498 ' O ' ' CG2' ' A' ' 68' ' ' VAL . 19.3 tt0 -75.72 -9.77 58.87 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.501 1.125 . . . . 75.15 110.288 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -106.6 -18.4 13.97 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.48 1.112 . . . . 70.4 109.311 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' TRP . . . . . 0.592 ' O ' ' CE3' ' A' ' 66' ' ' TRP . 3.7 t-105 -100.35 -21.9 15.26 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 107.98 -1.119 . . . . 71.14 107.98 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 3.2 t30 -90.67 -42.7 10.6 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.506 1.129 . . . . 71.4 109.347 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . 0.498 ' CG2' ' O ' ' A' ' 64' ' ' GLU . 16.3 t -60.24 -27.52 39.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.446 1.091 . . . . 73.32 109.266 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . 0.563 ' HB2' ' CE2' ' A' ' 50' ' ' TYR . . . -79.68 -47.61 15.06 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.469 1.106 . . . . 70.23 109.322 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . 0.559 ' HD3' ' CZ2' ' A' ' 66' ' ' TRP . 2.2 mtmp? -51.81 -61.29 2.35 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.474 1.108 . . . . 71.22 109.296 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 15.1 mm-40 -45.25 -25.6 0.4 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.523 1.139 . . . . 72.14 110.312 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' MET . . . . . 0.409 ' N ' ' C ' ' A' ' 70' ' ' LYS . 3.8 ttp -79.44 -43.16 23.82 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.503 1.127 . . . . 73.12 110.988 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 6.3 mp -51.25 -49.34 61.34 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.538 1.149 . . . . 73.22 109.314 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -52.4 -27.16 14.64 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.492 1.12 . . . . 63.13 109.344 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 18.7 mm-40 -92.58 -26.4 17.9 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.481 1.113 . . . . 73.44 110.271 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 80.8 m-20 -82.26 -15.46 52.98 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.542 1.152 . . . . 74.24 109.291 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 2.9 m-80 60.15 42.58 15.27 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.508 1.13 . . . . 71.42 109.355 -179.922 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 8.4 pt-20 -118.13 140.53 49.64 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.454 1.096 . . . . 75.01 110.278 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 35.7 mmtt -105.38 17.22 24.3 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.504 1.127 . . . . 73.41 109.296 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 9.7 p90 -139.86 177.45 7.95 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.501 1.125 . . . . 71.35 111.028 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.568 HD12 ' CZ ' ' A' ' 7' ' ' PHE . 3.1 tt -146.69 166.41 26.66 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.534 1.146 . . . . 72.24 109.268 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' ASN . . . . . 0.438 ' C ' ' ND2' ' A' ' 82' ' ' ASN . 1.0 OUTLIER -125.65 125.99 43.98 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.534 1.146 . . . . 75.32 109.283 179.969 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . 0.469 HD13 ' CD2' ' A' ' 81' ' ' LEU . 27.0 mm -129.89 145.45 35.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.445 1.09 . . . . 75.54 109.34 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 3.8 ttp-105 -123.88 140.31 53.11 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.551 1.157 . . . . 75.3 110.317 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . 0.468 ' CD2' HG21 ' A' ' 83' ' ' ILE . 2.9 mm? -145.0 140.86 28.46 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.471 1.107 . . . . 64.3 109.325 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' TYR . . . . . 0.431 ' CD1' ' N ' ' A' ' 86' ' ' TYR . 10.9 p90 . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.508 1.13 . . . . 64.22 111.01 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 N--CA 1.453 -0.864 0 N-CA-C 111.005 -0.421 . . . . 75.4 111.005 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 41.7 mt -145.21 147.73 32.76 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.466 1.104 . . . . 74.01 109.306 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 118.5 39.78 0.71 Allowed Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.432 1.083 . . . . 74.14 111.035 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' SER . . . . . 0.42 ' CB ' HD13 ' A' ' 19' ' ' LEU . 0.9 OUTLIER -164.25 -175.12 3.81 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.513 0.773 . . . . 74.34 109.966 -179.992 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 13.1 mt -131.09 143.78 39.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.532 1.145 . . . . 71.11 109.309 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 3.8 tp -96.93 139.77 32.47 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 75.02 109.288 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . 0.566 ' CE1' HD11 ' A' ' 81' ' ' LEU . 2.7 m-30 -117.17 119.76 36.21 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.527 1.142 . . . . 74.44 111.014 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . 0.575 ' CG ' ' CG2' ' A' ' 15' ' ' ILE . 2.9 ttm180 -87.44 98.54 11.43 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.538 1.149 . . . . 74.44 110.269 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 3.9 mp -89.68 117.56 33.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.469 1.105 . . . . 75.21 109.286 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 1.2 t -95.32 137.22 34.68 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.478 1.111 . . . . 73.3 109.977 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -157.96 133.39 8.9 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.482 1.114 . . . . 72.41 111.035 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . 0.562 ' O ' ' CB ' ' A' ' 13' ' ' SER . 6.1 m-20 63.97 12.71 7.08 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.544 1.153 . . . . 74.54 109.338 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' SER . . . . . 0.562 ' CB ' ' O ' ' A' ' 12' ' ' ASN . 0.7 OUTLIER 90.19 12.43 0.05 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.516 1.135 . . . . 73.13 109.989 179.968 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 17.5 mm-40 -101.27 -166.71 1.33 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.462 1.101 . . . . 75.31 110.265 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.575 ' CG2' ' CG ' ' A' ' 8' ' ' ARG . 14.0 mm -141.58 131.34 24.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.48 1.113 . . . . 75.22 109.345 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 2.7 t80 -125.31 158.68 33.58 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.541 1.151 . . . . 73.13 110.958 -179.934 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 2.2 p -116.52 145.34 43.4 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.454 1.096 . . . . 72.14 110.377 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.469 ' CD2' ' HD3' ' A' ' 36' ' ' LYS . 0.9 OUTLIER -152.61 106.45 3.09 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.552 1.157 . . . . 72.22 109.25 179.994 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.42 HD13 ' CB ' ' A' ' 4' ' ' SER . 0.2 OUTLIER -65.09 103.61 0.78 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.522 1.139 . . . . 71.33 109.321 179.955 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 3.2 p -108.86 115.48 49.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.545 1.153 . . . . 75.01 109.284 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . 0.561 ' HB2' ' CD1' ' A' ' 24' ' ' TRP . 7.6 mm-40 -59.45 166.37 2.38 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.517 1.136 . . . . 75.13 110.25 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 19.5 mttt -86.3 9.49 17.68 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.491 1.119 . . . . 75.41 109.246 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -113.46 -12.61 11.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.49 1.119 . . . . 74.51 109.32 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' TRP . . . . . 0.561 ' CD1' ' HB2' ' A' ' 21' ' ' GLU . 39.5 m0 -70.13 98.23 1.3 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.512 1.133 . . . . 74.5 107.965 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . 0.516 ' HA ' ' CE2' ' A' ' 66' ' ' TRP . 11.3 p-10 -63.25 179.7 0.39 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.451 1.094 . . . . 70.42 109.28 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . 0.556 ' CE2' ' OD2' ' A' ' 27' ' ' ASP . 20.2 p90 -49.5 -40.45 37.54 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.508 1.13 . . . . 72.25 110.969 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . 0.556 ' OD2' ' CE2' ' A' ' 26' ' ' PHE . 40.3 m-20 -62.72 -62.43 1.73 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.536 1.148 . . . . 73.2 109.316 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 50.1 t0 -54.14 -24.51 18.1 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.428 1.08 . . . . 64.44 109.292 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.468 HD23 ' CD2' ' A' ' 60' ' ' LEU . 0.4 OUTLIER -69.46 -57.7 4.91 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.508 1.13 . . . . 72.34 109.283 179.986 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . 0.456 ' CD1' HG12 ' A' ' 48' ' ' ILE . 35.8 mm -59.33 -34.69 54.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.522 1.138 . . . . 70.43 109.271 -179.949 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 3.5 mmm -76.36 -28.39 56.8 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.45 1.094 . . . . 75.4 110.999 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -60.21 -60.83 3.2 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.539 1.149 . . . . 71.04 109.309 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 3.6 mp -60.49 -47.04 94.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.494 1.121 . . . . 75.33 109.291 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 1.4 m-80 -54.65 -20.12 7.51 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.481 1.113 . . . . 74.43 109.316 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 1.4 t -77.92 -40.73 38.74 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.498 1.124 . . . . 74.24 110.0 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . 0.469 ' HD3' ' CD2' ' A' ' 18' ' ' LEU . 0.1 OUTLIER -70.41 -38.37 74.63 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.513 1.133 . . . . 74.44 109.295 179.993 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . 0.497 ' CD1' ' CD1' ' A' ' 45' ' ' ILE . 0.4 OUTLIER -88.49 -3.9 9.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.448 1.092 . . . . 74.14 109.294 -179.995 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' SER . . . . . 0.4 ' C ' ' O ' ' A' ' 37' ' ' ILE . 27.4 t -39.35 -30.11 0.06 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.521 1.138 . . . . 73.12 110.022 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . 0.433 ' N ' ' O ' ' A' ' 37' ' ' ILE . 4.3 t30 -40.65 -50.01 3.03 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.464 1.102 . . . . 72.43 109.301 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 74.6 p -79.9 99.65 7.67 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.478 1.111 . . . . 72.1 110.426 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 28.1 t60 -99.99 43.36 1.06 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.491 1.119 . . . . 74.25 109.627 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 6.1 pt -120.94 -42.72 2.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.552 1.157 . . . . 71.31 109.316 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 3.1 m -175.27 95.23 0.27 Allowed Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.475 1.109 . . . . 74.5 110.046 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.97 -162.19 0.14 Allowed 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.493 1.786 . . . . 75.12 111.002 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . 0.497 ' CD1' ' CD1' ' A' ' 37' ' ' ILE . 1.4 pp -116.89 117.37 55.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 O-C-N 124.537 1.148 . . . . 75.31 109.305 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 6.8 p -99.51 36.36 1.78 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.493 1.12 . . . . 75.31 110.43 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -168.96 126.9 1.0 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.467 1.104 . . . . 72.34 109.299 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . 0.456 HG12 ' CD1' ' A' ' 30' ' ' ILE . 4.4 pt -125.18 149.5 29.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.472 1.108 . . . . 73.31 109.27 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 1.2 ttmp? -110.84 108.81 18.75 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.477 1.111 . . . . 75.21 109.339 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' TYR . . . . . 0.486 ' CE1' HG23 ' A' ' 58' ' ' VAL . 9.7 p90 -100.48 149.9 23.21 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.475 1.109 . . . . 74.41 111.019 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 44.7 tt0 -85.73 154.26 21.75 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.488 1.118 . . . . 64.42 110.34 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 7.5 t0 -115.58 -174.9 2.6 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.487 1.117 . . . . 74.22 109.323 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 2.4 pp20? -68.93 -34.34 75.21 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.503 1.127 . . . . 74.04 110.329 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 37.1 t70 -64.97 -16.02 62.9 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.468 1.105 . . . . 73.04 109.287 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 85.77 8.82 79.18 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.549 1.155 . . . . 63.4 111.003 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 2.7 t70 -99.13 139.46 34.74 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.496 0.763 . . . . 74.43 109.291 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 21.8 p90 -70.11 143.33 52.42 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.488 1.118 . . . . 74.22 110.989 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . 0.486 HG23 ' CE1' ' A' ' 50' ' ' TYR . 0.1 OUTLIER -145.91 135.12 17.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.481 1.113 . . . . 71.54 109.256 -179.974 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 4.3 p -67.01 155.02 7.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.517 1.136 . . . . 72.1 109.354 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.498 ' CD1' ' C ' ' A' ' 60' ' ' LEU . 0.3 OUTLIER -141.33 122.86 15.06 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.508 1.13 . . . . 64.44 109.275 -179.95 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . 0.479 ' N ' ' CD1' ' A' ' 60' ' ' LEU . . . -165.12 28.75 0.2 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.549 1.155 . . . . 71.03 110.936 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 11.8 m -161.85 162.71 29.44 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.495 0.762 . . . . 54.44 110.005 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . 0.443 ' OD1' ' ND2' ' A' ' 67' ' ' ASN . 25.4 t70 -65.34 -20.99 66.64 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.509 1.131 . . . . 74.13 109.339 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 18.2 tp10 -77.1 -18.69 57.8 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.459 1.099 . . . . 71.34 110.322 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . 0.422 ' CB ' HD13 ' A' ' 60' ' ' LEU . 4.1 m-20 -108.05 -13.69 14.89 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.542 1.151 . . . . 74.13 109.283 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' TRP . . . . . 0.596 ' CZ3' ' OD1' ' A' ' 67' ' ' ASN . 8.3 t90 -90.81 -28.51 18.16 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.558 1.161 . . . . 75.4 107.973 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . 0.596 ' OD1' ' CZ3' ' A' ' 66' ' ' TRP . 42.0 m-20 -89.6 -49.2 6.8 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.472 1.107 . . . . 74.31 109.279 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 62.9 t -62.1 -15.32 13.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.48 1.113 . . . . 75.04 109.324 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . 0.456 ' HB2' ' CE2' ' A' ' 50' ' ' TYR . . . -91.96 -40.21 11.25 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.531 1.144 . . . . 63.4 109.32 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . 0.524 ' NZ ' ' CE2' ' A' ' 66' ' ' TRP . 10.8 mtmm -66.87 -58.84 4.22 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.501 1.126 . . . . 75.23 109.323 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 76.7 mt-10 -44.24 -27.73 0.45 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.518 1.136 . . . . 74.14 110.283 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 1.5 tpt -69.18 -42.1 76.28 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.535 1.147 . . . . 75.3 111.0 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . 0.432 ' N ' ' O ' ' A' ' 70' ' ' LYS . 5.2 mt -54.03 -45.21 71.53 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.512 1.132 . . . . 71.13 109.29 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -56.79 -32.99 66.22 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.499 1.124 . . . . 71.2 109.294 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 53.2 mt-10 -84.7 -21.42 30.15 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.564 1.165 . . . . 73.1 110.312 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 81.4 m-20 -89.83 -14.03 35.27 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.462 1.102 . . . . 72.25 109.261 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 25.0 m-80 60.8 39.83 16.67 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.522 1.139 . . . . 70.52 109.272 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -121.22 154.95 35.61 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.522 1.138 . . . . 73.34 110.332 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 15.3 mmtp -113.37 15.32 19.22 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.493 1.12 . . . . 74.33 109.302 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 8.0 p90 -135.81 174.18 10.9 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.467 1.104 . . . . 73.11 111.014 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.566 HD11 ' CE1' ' A' ' 7' ' ' PHE . 1.2 tt -140.4 166.36 24.93 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.506 1.129 . . . . 70.04 109.308 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' ASN . . . . . 0.405 ' N ' HD21 ' A' ' 81' ' ' LEU . 1.4 t30 -127.24 107.65 10.19 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.492 1.12 . . . . 74.35 109.326 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . 0.464 HD13 ' CD2' ' A' ' 81' ' ' LEU . 17.6 mm -108.7 149.82 11.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.482 1.114 . . . . 73.41 109.294 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 19.3 ttm-85 -116.44 146.86 42.22 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.523 1.139 . . . . 75.34 110.343 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . 0.407 ' CD1' HG12 ' A' ' 45' ' ' ILE . 7.2 tp -145.68 116.22 7.62 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.489 1.118 . . . . 74.3 109.287 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 29.0 p90 . . . . . 0 C--N 1.324 -0.51 0 O-C-N 124.569 1.168 . . . . 74.51 110.98 179.997 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 N--CA 1.452 -0.923 0 N-CA-C 111.0 -0.423 . . . . 73.13 111.0 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -98.82 94.65 6.72 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.426 1.079 . . . . 72.2 109.308 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -151.61 21.46 0.92 Allowed Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.506 1.129 . . . . 43.32 111.017 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -163.87 176.82 9.1 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.534 0.784 . . . . 73.03 109.995 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 18.2 mt -122.84 144.98 30.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.479 1.112 . . . . 73.43 109.296 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -103.35 145.02 30.59 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.445 1.091 . . . . 73.24 109.304 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . 0.565 ' CE2' HD13 ' A' ' 83' ' ' ILE . 1.8 m-85 -124.14 120.14 31.47 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.476 1.11 . . . . 75.22 110.993 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . 0.442 ' CG ' ' HA ' ' A' ' 82' ' ' ASN . 3.8 ptp85 -106.25 77.38 1.22 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.494 1.121 . . . . 73.52 110.288 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.464 ' CG2' HD13 ' A' ' 85' ' ' LEU . 3.1 mp -47.16 108.77 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.502 1.126 . . . . 75.23 109.346 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 29.9 m -105.16 116.3 31.71 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.501 1.126 . . . . 74.13 110.027 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 1.5 t80 -98.2 -165.6 1.27 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.508 1.13 . . . . 75.43 110.994 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 52.8 t30 -48.71 -58.5 4.66 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.462 1.101 . . . . 74.41 109.307 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 1.6 m -137.72 12.19 2.93 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.493 1.12 . . . . 65.13 109.974 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . 0.496 ' O ' ' CD1' ' A' ' 15' ' ' ILE . 6.8 mt-10 -109.43 159.22 17.21 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.55 1.156 . . . . 74.53 110.333 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.496 ' CD1' ' O ' ' A' ' 14' ' ' GLU . 8.8 mm -143.29 145.11 22.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.482 1.114 . . . . 74.52 109.296 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . 0.462 ' O ' ' N ' ' A' ' 9' ' ' ILE . 5.8 t80 -157.84 146.16 19.01 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.538 1.149 . . . . 71.14 111.004 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 1.8 p -107.87 157.65 18.0 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.513 1.133 . . . . 75.3 110.407 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.462 ' CD2' ' HG3' ' A' ' 36' ' ' LYS . 0.3 OUTLIER -165.39 119.81 1.26 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.529 1.143 . . . . 44.43 109.323 -179.981 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.407 ' N ' HD21 ' A' ' 18' ' ' LEU . 0.2 OUTLIER -77.16 127.04 31.93 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.492 1.12 . . . . 72.31 109.337 179.984 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 14.6 p -129.74 121.8 53.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.503 1.127 . . . . 73.43 109.297 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . 0.516 ' HB2' ' CD1' ' A' ' 24' ' ' TRP . 42.5 mt-10 -63.26 165.13 7.8 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.498 1.124 . . . . 74.44 110.286 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . 0.441 ' O ' ' NZ ' ' A' ' 70' ' ' LYS . 13.9 mttt -89.35 13.9 12.46 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.502 1.126 . . . . 64.3 109.305 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -110.9 -34.51 2.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.469 1.105 . . . . 74.2 109.324 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' TRP . . . . . 0.516 ' CD1' ' HB2' ' A' ' 21' ' ' GLU . 13.3 m0 -58.5 100.47 0.06 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.51 1.131 . . . . 75.12 107.984 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . 0.443 ' OD1' ' CB ' ' A' ' 27' ' ' ASP . 22.8 p30 -55.26 -174.55 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.454 1.096 . . . . 72.4 109.313 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 7.8 p90 -61.54 -28.37 69.28 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.524 1.14 . . . . 73.44 111.005 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . 0.443 ' CB ' ' OD1' ' A' ' 25' ' ' ASN . 1.6 t70 -67.26 -65.9 0.63 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.5 1.125 . . . . 73.02 109.346 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . 0.431 ' O ' ' N ' ' A' ' 32' ' ' ALA . 5.3 m-20 -56.88 -34.93 68.36 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.452 1.095 . . . . 74.54 109.307 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.446 HD23 ' CD2' ' A' ' 60' ' ' LEU . 0.6 OUTLIER -55.75 -47.26 77.28 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.462 1.101 . . . . 74.0 109.248 179.998 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 25.2 mm -70.72 -52.39 28.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.559 1.162 . . . . 70.41 109.282 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 9.2 mmt -60.09 -16.04 28.35 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.47 1.106 . . . . 73.43 110.997 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . 0.431 ' N ' ' O ' ' A' ' 28' ' ' ASP . . . -75.95 -66.78 0.75 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.503 1.127 . . . . 72.02 109.257 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 4.3 mp -61.01 -30.27 47.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.527 1.142 . . . . 73.24 109.317 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -65.83 -11.54 47.24 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.473 1.108 . . . . 63.44 109.315 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 17.8 t -103.27 -30.8 10.42 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.534 1.146 . . . . 75.31 109.998 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . 0.462 ' HG3' ' CD2' ' A' ' 18' ' ' LEU . 16.3 mmtm -74.09 -36.65 64.29 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.535 1.147 . . . . 75.22 109.301 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . 0.443 ' CD1' HG13 ' A' ' 45' ' ' ILE . 5.9 pt -86.29 -7.9 11.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.529 1.143 . . . . 72.31 109.327 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 2.7 p -42.28 -28.06 0.18 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.478 1.112 . . . . 72.43 109.918 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 9.3 t30 -40.33 -45.82 2.21 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.497 1.123 . . . . 65.31 109.312 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 17.0 p -72.46 140.19 48.13 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.542 1.151 . . . . 71.1 110.412 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 12.4 m170 -112.66 47.75 1.07 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.481 1.113 . . . . 75.23 109.61 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . 0.49 ' O ' ' CB ' ' A' ' 43' ' ' SER . 9.7 pt -119.33 -45.14 2.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.458 1.099 . . . . 71.41 109.288 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' SER . . . . . 0.49 ' CB ' ' O ' ' A' ' 42' ' ' ILE . 1.1 m 159.88 141.31 0.01 OUTLIER Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.472 1.108 . . . . 72.22 110.022 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 -162.23 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.459 1.768 . . . . 74.12 110.97 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . 0.484 ' CD1' ' O ' ' A' ' 45' ' ' ILE . 1.5 pp -144.27 104.84 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.533 1.146 . . . . 75.44 109.328 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 6.2 t -79.39 2.94 19.9 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.493 1.12 . . . . 74.4 110.355 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 18.0 mmtp -126.6 123.11 36.89 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.508 1.13 . . . . 74.54 109.294 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . 0.405 ' O ' ' N ' ' A' ' 60' ' ' LEU . 11.7 pt -123.27 120.13 59.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.544 1.153 . . . . 74.23 109.282 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 24.7 mttp -88.56 91.72 8.91 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.532 1.145 . . . . 75.35 109.296 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' TYR . . . . . 0.52 ' CE1' HG23 ' A' ' 58' ' ' VAL . 9.5 p90 -86.09 148.62 25.62 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.453 1.096 . . . . 74.14 111.006 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 40.8 tt0 -77.31 156.37 31.37 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.461 1.101 . . . . 72.22 110.25 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 2.1 p-10 -122.52 -177.29 3.59 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.472 1.107 . . . . 73.42 109.3 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 19.1 pt-20 -60.31 -46.1 91.06 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.458 1.099 . . . . 72.12 110.308 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 7.9 t70 -50.63 -25.67 4.48 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.473 1.108 . . . . 73.35 109.304 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 95.65 12.05 54.2 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.495 1.122 . . . . 70.11 110.979 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 6.2 t70 -103.03 171.58 7.3 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.511 0.771 . . . . 74.42 109.289 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 96.9 m-85 -99.0 139.18 35.02 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.492 1.12 . . . . 64.42 110.968 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . 0.52 HG23 ' CE1' ' A' ' 50' ' ' TYR . 0.2 OUTLIER -138.92 139.98 39.54 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.475 1.11 . . . . 73.21 109.32 179.993 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 12.2 p -66.28 144.15 14.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.489 1.118 . . . . 74.15 109.334 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.5 ' HB2' ' CD1' ' A' ' 50' ' ' TYR . 1.2 tp -131.01 112.49 12.97 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.508 1.13 . . . . 73.21 109.327 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -151.89 24.01 0.91 Allowed Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.494 1.121 . . . . 61.44 111.016 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -148.21 157.24 43.38 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.508 0.77 . . . . 74.44 110.011 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . 0.428 ' O ' ' N ' ' A' ' 67' ' ' ASN . 1.4 p30 -65.13 -31.6 72.88 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.496 1.122 . . . . 74.13 109.284 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . 0.491 ' O ' ' CG2' ' A' ' 68' ' ' VAL . 46.2 mt-10 -72.61 -32.83 66.25 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.503 1.127 . . . . 74.53 110.299 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -83.64 -15.52 48.61 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.544 1.153 . . . . 73.22 109.275 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' TRP . . . . . 0.457 ' HB2' ' CD1' ' A' ' 60' ' ' LEU . 10.9 t-105 -100.24 -23.68 14.75 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.507 1.13 . . . . 74.23 107.99 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . 0.428 ' N ' ' O ' ' A' ' 63' ' ' ASP . 5.9 t30 -88.68 -48.79 7.28 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.469 1.105 . . . . 75.0 109.256 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . 0.491 ' CG2' ' O ' ' A' ' 64' ' ' GLU . 76.9 t -60.3 -25.27 33.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.514 1.134 . . . . 72.4 109.293 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . 0.48 ' CB ' ' CE2' ' A' ' 50' ' ' TYR . . . -78.57 -48.29 15.51 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.502 1.126 . . . . 73.01 109.269 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . 0.441 ' NZ ' ' O ' ' A' ' 22' ' ' LYS . 28.9 mtmt -52.77 -53.75 43.74 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.514 1.134 . . . . 73.42 109.294 -179.951 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 31.2 mm-40 -54.18 -19.37 5.01 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.528 1.142 . . . . 75.5 110.295 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' MET . . . . . 0.405 ' O ' ' N ' ' A' ' 76' ' ' ASN . 5.2 ttm -78.45 -34.73 47.57 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.477 1.111 . . . . 73.35 110.981 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . 0.417 ' O ' ' N ' ' A' ' 76' ' ' ASN . 0.5 OUTLIER -48.62 -59.38 3.57 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.47 1.106 . . . . 71.54 109.283 -179.974 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -50.62 -30.87 14.47 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.503 1.127 . . . . 71.22 109.259 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 11.4 mt-10 -80.91 -26.75 36.54 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.475 1.109 . . . . 75.22 110.33 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' ASN . . . . . 0.423 ' C ' ' N ' ' A' ' 78' ' ' GLU . 88.9 m-20 -87.9 11.22 16.27 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.489 1.118 . . . . 72.12 109.259 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 39.8 m-80 40.46 30.1 0.08 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.489 1.118 . . . . 72.22 109.316 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . 0.527 ' HB2' ' CE1' ' A' ' 80' ' ' PHE . 9.0 pt-20 -113.47 164.27 13.83 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.453 1.096 . . . . 74.12 110.28 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 36.4 mtmt -126.62 15.19 7.59 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.481 1.113 . . . . 73.42 109.292 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' PHE . . . . . 0.527 ' CE1' ' HB2' ' A' ' 78' ' ' GLU . 1.3 p90 -135.65 173.91 11.19 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.514 1.134 . . . . 75.32 110.973 -179.948 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.415 ' HB3' ' CD1' ' A' ' 7' ' ' PHE . 1.5 tm? -147.02 150.72 35.67 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.487 1.117 . . . . 72.45 109.307 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' ASN . . . . . 0.453 ' C ' ' ND2' ' A' ' 82' ' ' ASN . 0.7 OUTLIER -126.83 148.2 49.98 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.555 1.16 . . . . 74.1 109.281 -179.957 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . 0.565 HD13 ' CE2' ' A' ' 7' ' ' PHE . 36.9 mm -122.76 159.01 26.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.52 1.137 . . . . 75.31 109.326 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 43.5 ttt-85 -127.01 116.84 21.36 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.435 1.085 . . . . 74.52 110.325 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . 0.464 HD13 ' CG2' ' A' ' 9' ' ' ILE . 11.8 mt -110.8 133.85 53.0 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 73.02 109.309 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 9.1 t80 . . . . . 0 C--N 1.324 -0.513 0 O-C-N 124.535 1.147 . . . . 73.1 110.983 -179.997 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 N--CA 1.453 -0.897 0 N-CA-C 110.998 -0.424 . . . . 73.35 110.998 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -95.59 -174.3 3.13 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.469 1.106 . . . . 75.41 109.321 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 39.45 67.05 0.65 Allowed Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.509 1.13 . . . . 72.4 110.992 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -152.47 171.54 17.92 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.494 0.761 . . . . 74.44 109.992 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 23.8 mt -123.01 145.75 29.4 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.503 1.127 . . . . 74.1 109.257 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.413 ' C ' ' CD1' ' A' ' 6' ' ' LEU . 0.9 OUTLIER -102.95 147.2 27.23 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.524 1.14 . . . . 73.42 109.292 -179.99 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . 0.566 ' CD2' HG13 ' A' ' 83' ' ' ILE . 1.6 m-85 -123.76 112.62 17.54 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.45 1.094 . . . . 52.35 111.002 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . 0.456 ' HG2' ' CG2' ' A' ' 15' ' ' ILE . 41.9 ttp180 -92.72 85.18 5.15 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.531 1.144 . . . . 74.1 110.289 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.468 ' CG2' HD12 ' A' ' 85' ' ' LEU . 4.3 mp -65.28 161.86 2.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.508 1.13 . . . . 74.44 109.286 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' SER . . . . . 0.447 ' O ' ' N ' ' A' ' 85' ' ' LEU . 1.6 p -162.09 135.91 6.48 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.527 1.142 . . . . 75.23 109.99 179.944 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . 0.454 ' C ' ' N ' ' A' ' 13' ' ' SER . 68.7 t80 -146.62 176.59 9.72 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.47 1.106 . . . . 72.55 111.01 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . 0.432 ' N ' ' CG ' ' A' ' 11' ' ' TYR . 8.6 t-20 -39.65 -29.08 0.05 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.51 1.131 . . . . 61.24 109.297 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' SER . . . . . 0.454 ' N ' ' C ' ' A' ' 11' ' ' TYR . 18.9 t -72.86 -95.47 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.482 1.113 . . . . 73.03 109.979 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 29.5 mt-10 -141.64 -170.93 3.22 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.575 1.172 . . . . 74.12 110.317 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.456 ' CG2' ' HG2' ' A' ' 8' ' ' ARG . 1.0 OUTLIER -106.01 121.66 58.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.506 1.129 . . . . 75.43 109.296 -179.968 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 31.9 m-85 -115.59 176.68 4.97 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.454 1.096 . . . . 72.41 110.97 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 7.8 p -131.87 146.78 52.32 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.479 1.112 . . . . 74.12 110.361 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.403 ' C ' ' CD1' ' A' ' 18' ' ' LEU . 1.5 tm? -147.08 122.18 10.13 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.506 1.129 . . . . 63.1 109.314 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -75.6 120.91 21.65 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.518 1.136 . . . . 75.05 109.277 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 15.0 p -127.0 117.54 47.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.525 1.141 . . . . 74.34 109.296 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . 0.555 ' OE2' ' CZ2' ' A' ' 24' ' ' TRP . 1.4 mp0 -56.58 167.87 0.66 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.476 1.11 . . . . 70.24 110.277 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 17.5 mttt -89.85 15.67 9.45 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.514 1.134 . . . . 73.32 109.296 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . 0.439 ' O ' ' N ' ' A' ' 25' ' ' ASN . 0.2 OUTLIER -113.71 -35.68 2.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.533 1.146 . . . . 72.21 109.306 179.982 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' TRP . . . . . 0.555 ' CZ2' ' OE2' ' A' ' 21' ' ' GLU . 15.6 m0 -54.51 93.06 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 107.98 -1.119 . . . . 74.21 107.98 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . 0.439 ' N ' ' O ' ' A' ' 23' ' ' VAL . 26.3 p-10 -51.4 176.9 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.468 1.105 . . . . 74.22 109.293 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . 0.403 ' CG ' ' N ' ' A' ' 27' ' ' ASP . 29.9 p90 -50.02 -35.38 24.55 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.464 1.103 . . . . 73.24 110.999 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . 0.403 ' N ' ' CG ' ' A' ' 26' ' ' PHE . 0.9 OUTLIER -62.91 -71.99 0.15 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.566 1.166 . . . . 75.41 109.257 -179.984 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -51.68 -22.68 3.63 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.515 1.134 . . . . 74.14 109.255 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.511 HD12 ' CE2' ' A' ' 7' ' ' PHE . 1.0 OUTLIER -69.68 -58.42 3.94 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.459 1.1 . . . . 72.04 109.297 -179.991 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 13.5 mm -56.92 -21.16 13.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.462 1.101 . . . . 75.55 109.312 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 16.0 mtp -90.48 -22.44 21.37 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.494 1.121 . . . . 62.53 111.011 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -69.24 -39.76 78.3 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.454 1.096 . . . . 75.53 109.265 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 2.5 mp -82.95 -43.96 18.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.46 1.1 . . . . 74.4 109.276 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 1.5 m-80 -60.17 -16.01 29.05 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.53 1.144 . . . . 70.13 109.334 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 9.6 t -79.62 -36.66 37.61 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.465 1.103 . . . . 74.5 109.991 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 1.1 mptp? -75.64 -48.81 20.58 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.471 1.107 . . . . 71.11 109.31 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . 0.504 ' CD1' ' CD1' ' A' ' 45' ' ' ILE . 0.7 OUTLIER -74.52 -4.22 5.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.534 1.147 . . . . 74.44 109.282 -179.945 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' SER . . . . . 0.452 ' C ' ' N ' ' A' ' 40' ' ' THR . 28.9 t -49.41 -23.09 1.34 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.502 1.126 . . . . 61.53 110.036 179.933 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . 0.401 ' C ' ' O ' ' A' ' 38' ' ' SER . 12.6 p30 -40.39 -29.93 0.1 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.493 1.121 . . . . 74.22 109.289 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' THR . . . . . 0.452 ' N ' ' C ' ' A' ' 38' ' ' SER . 0.0 OUTLIER -119.63 103.49 9.45 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.581 1.176 . . . . 73.4 110.425 179.961 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 6.1 p-80 -92.55 31.09 1.39 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.531 1.145 . . . . 73.33 109.595 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 3.2 pt -90.93 -36.77 8.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.484 1.115 . . . . 73.22 109.286 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 1.9 m 174.04 93.83 0.07 OUTLIER Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.54 1.15 . . . . 74.14 110.004 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 -162.2 0.14 Allowed 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.431 1.753 . . . . 72.43 110.981 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . 0.504 ' CD1' ' CD1' ' A' ' 37' ' ' ILE . 1.4 pp -121.04 99.73 7.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.488 1.117 . . . . 72.41 109.307 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 13.6 p -63.38 -22.95 67.19 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.522 1.139 . . . . 75.34 110.375 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 18.2 ptmt -118.57 144.37 46.14 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.545 1.153 . . . . 74.54 109.256 -179.946 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . 0.457 ' HB ' ' CG2' ' A' ' 83' ' ' ILE . 2.5 pp -135.54 154.49 35.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.511 1.132 . . . . 74.33 109.254 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 22.9 ttmt -114.28 129.63 56.64 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.448 1.093 . . . . 71.32 109.294 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' TYR . . . . . 0.504 ' CZ ' ' HB3' ' A' ' 69' ' ' ALA . 8.9 p90 -118.84 148.85 42.43 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.536 1.147 . . . . 75.5 111.042 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . 0.42 ' CG ' ' HA2' ' A' ' 55' ' ' GLY . 38.8 tt0 -77.45 148.78 35.23 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.516 1.135 . . . . 74.31 110.267 -179.944 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . 0.447 ' OD1' ' N ' ' A' ' 54' ' ' ASP . 7.3 p30 -117.23 -174.13 2.54 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.493 1.121 . . . . 65.33 109.304 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -62.58 -31.33 72.13 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.526 1.141 . . . . 74.12 110.291 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . 0.447 ' N ' ' OD1' ' A' ' 52' ' ' ASP . 0.8 OUTLIER -84.75 7.38 20.82 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.457 1.098 . . . . 64.44 109.33 -179.994 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . 0.42 ' HA2' ' CG ' ' A' ' 51' ' ' GLN . . . 57.05 16.41 18.48 Favored Glycine 0 CA--C 1.531 1.074 0 O-C-N 124.501 1.126 . . . . 73.54 110.965 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -94.53 102.39 14.32 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.519 0.776 . . . . 73.21 109.333 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 3.6 p90 -44.53 117.19 1.21 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.505 1.128 . . . . 73.31 111.019 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . 0.449 HG22 ' CE1' ' A' ' 50' ' ' TYR . 0.1 OUTLIER -118.8 136.67 55.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.459 1.1 . . . . 74.24 109.318 180.0 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 8.9 p -61.32 157.42 3.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.481 1.113 . . . . 64.42 109.318 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.45 ' CD2' HD21 ' A' ' 29' ' ' LEU . 5.2 tp -144.93 111.97 5.95 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.495 1.122 . . . . 75.13 109.311 179.933 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -155.44 23.26 0.57 Allowed Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.505 1.128 . . . . 70.14 110.996 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 2.3 p -152.31 174.73 13.45 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.543 0.79 . . . . 63.44 109.998 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -78.44 -29.83 47.19 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.508 1.13 . . . . 71.24 109.302 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . 0.488 ' O ' ' CG2' ' A' ' 68' ' ' VAL . 6.8 tt0 -71.48 -13.88 61.95 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.467 1.105 . . . . 74.54 110.316 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -111.96 -15.55 13.29 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.496 1.123 . . . . 75.13 109.31 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' TRP . . . . . 0.582 ' CZ2' ' NZ ' ' A' ' 70' ' ' LYS . 0.1 OUTLIER -94.3 -23.68 17.74 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.544 1.152 . . . . 74.5 108.009 -179.975 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 7.8 t30 -95.02 -50.24 5.18 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.49 1.119 . . . . 64.24 109.315 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . 0.488 ' CG2' ' O ' ' A' ' 64' ' ' GLU . 87.2 t -61.15 -15.78 13.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.474 1.108 . . . . 75.51 109.283 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . 0.504 ' HB3' ' CZ ' ' A' ' 50' ' ' TYR . . . -84.88 -38.69 19.13 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.482 1.114 . . . . 74.43 109.284 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . 0.582 ' NZ ' ' CZ2' ' A' ' 66' ' ' TRP . 52.1 mttt -65.87 -55.45 16.94 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.543 1.152 . . . . 73.45 109.333 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 8.7 pt-20 -44.48 -26.29 0.34 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.472 1.108 . . . . 73.22 110.255 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' MET . . . . . 0.449 ' O ' ' ND2' ' A' ' 76' ' ' ASN . 0.7 OUTLIER -79.92 -39.87 29.4 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.49 1.119 . . . . 74.1 110.99 -179.989 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . 0.465 ' CD1' ' HG3' ' A' ' 78' ' ' GLU . 0.4 OUTLIER -50.92 -62.95 1.3 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.539 1.149 . . . . 73.34 109.298 -179.974 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -49.87 -31.62 12.48 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.519 1.137 . . . . 72.31 109.314 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 7.6 mt-10 -75.36 -30.51 60.22 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.549 1.156 . . . . 75.23 110.26 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' ASN . . . . . 0.716 ' N ' HD21 ' A' ' 76' ' ' ASN . 0.8 OUTLIER -88.12 11.9 15.02 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.572 1.17 . . . . 75.42 109.328 -179.978 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 3.6 m-80 40.42 36.11 0.33 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.517 1.136 . . . . 65.3 109.329 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . 0.465 ' HG3' ' CD1' ' A' ' 73' ' ' LEU . 7.8 pt-20 -113.91 144.78 42.48 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.482 1.113 . . . . 72.13 110.332 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 5.7 mtmp? -111.38 19.74 17.95 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.52 1.138 . . . . 74.32 109.311 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 3.1 p90 -141.44 158.12 44.28 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.49 1.119 . . . . 75.41 111.05 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.408 ' CD1' ' N ' ' A' ' 82' ' ' ASN . 1.5 tm? -133.19 164.11 27.79 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.458 1.099 . . . . 73.5 109.296 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' ASN . . . . . 0.432 ' ND2' ' C ' ' A' ' 82' ' ' ASN . 1.1 t30 -132.09 138.2 48.04 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.492 1.12 . . . . 75.12 109.319 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . 0.566 HG13 ' CD2' ' A' ' 7' ' ' PHE . 25.9 mm -131.09 136.43 57.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.491 1.12 . . . . 74.12 109.306 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 23.1 ttt180 -111.57 150.06 30.56 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.488 1.118 . . . . 72.43 110.337 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . 0.468 HD12 ' CG2' ' A' ' 9' ' ' ILE . 96.0 mt -134.17 127.31 31.75 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.543 1.152 . . . . 75.11 109.276 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' TYR . . . . . 0.506 ' O ' ' CD1' ' A' ' 86' ' ' TYR . 10.9 t80 . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.526 1.141 . . . . 72.51 111.004 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 N--CA 1.453 -0.897 0 N-CA-C 111.041 -0.407 . . . . 75.13 111.041 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 35.2 mt -80.04 -20.8 44.46 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.527 1.142 . . . . 74.0 109.331 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -83.62 70.14 3.23 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.573 1.17 . . . . 73.35 110.987 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' SER . . . . . 0.463 ' HA ' ' CG ' ' A' ' 22' ' ' LYS . 0.7 OUTLIER -157.24 178.43 10.34 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.468 0.746 . . . . 75.35 110.0 -179.959 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . 0.496 ' CG2' ' N ' ' A' ' 6' ' ' LEU . 7.8 mt -118.78 164.08 15.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.478 1.112 . . . . 73.51 109.261 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.496 ' N ' ' CG2' ' A' ' 5' ' ' ILE . 1.9 tm? -123.06 147.05 47.15 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.506 1.129 . . . . 74.12 109.253 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . 0.701 ' CE2' ' CG1' ' A' ' 20' ' ' VAL . 15.5 m-85 -136.63 116.27 12.95 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.484 1.115 . . . . 75.21 110.974 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . 0.453 ' HB2' ' CG2' ' A' ' 15' ' ' ILE . 4.2 ptm180 -86.69 53.41 2.81 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.449 1.093 . . . . 73.25 110.315 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.568 ' CG2' ' CD1' ' A' ' 85' ' ' LEU . 5.8 mt -44.11 111.38 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.505 1.128 . . . . 73.25 109.31 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' SER . . . . . 0.479 ' OG ' ' CD1' ' A' ' 15' ' ' ILE . 0.3 OUTLIER -109.17 141.02 41.99 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.526 1.141 . . . . 75.45 109.988 -179.973 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . 0.478 ' CG ' ' N ' ' A' ' 12' ' ' ASN . 74.1 t80 -143.19 175.54 9.81 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.496 1.122 . . . . 71.53 110.971 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . 0.478 ' N ' ' CG ' ' A' ' 11' ' ' TYR . 28.7 t30 -39.11 -29.5 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.5 1.125 . . . . 70.0 109.306 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' SER . . . . . 0.46 ' N ' ' O ' ' A' ' 11' ' ' TYR . 45.5 t -71.8 -76.18 0.12 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.515 1.134 . . . . 74.04 109.95 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . 0.556 ' HG2' ' CE1' ' A' ' 16' ' ' PHE . 1.8 pt-20 -170.08 -159.11 0.19 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.502 1.126 . . . . 72.12 110.299 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.514 ' N ' ' CG ' ' A' ' 14' ' ' GLU . 1.7 mm -91.64 134.81 28.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.49 1.119 . . . . 73.2 109.315 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . 0.556 ' CE1' ' HG2' ' A' ' 14' ' ' GLU . 25.1 m-85 -129.94 130.0 44.53 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.489 1.118 . . . . 73.33 110.981 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 2.2 p -97.05 129.04 44.54 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.488 1.117 . . . . 74.35 110.399 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.441 ' CD2' ' C ' ' A' ' 18' ' ' LEU . 4.2 tt -132.01 124.85 30.14 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.464 1.103 . . . . 75.54 109.348 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -80.77 113.5 19.01 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.486 1.116 . . . . 64.51 109.298 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.701 ' CG1' ' CE2' ' A' ' 7' ' ' PHE . 14.3 p -106.49 140.21 25.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.504 1.128 . . . . 74.44 109.307 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . 0.567 ' HB2' ' CD1' ' A' ' 24' ' ' TRP . 53.3 mt-10 -81.17 161.46 24.03 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.511 1.132 . . . . 75.11 110.302 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . 0.463 ' CG ' ' HA ' ' A' ' 4' ' ' SER . 0.6 OUTLIER -89.38 14.93 10.05 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.478 1.111 . . . . 73.02 109.316 179.995 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . 0.457 ' CG1' ' OE2' ' A' ' 21' ' ' GLU . 0.2 OUTLIER -115.09 -37.33 2.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 O-C-N 124.46 1.1 . . . . 71.45 109.322 179.98 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' TRP . . . . . 0.567 ' CD1' ' HB2' ' A' ' 21' ' ' GLU . 9.1 m0 -58.31 105.41 0.28 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.552 1.157 . . . . 74.11 107.965 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . 0.512 ' HA ' ' CE2' ' A' ' 66' ' ' TRP . 20.1 p-10 -62.89 -178.68 0.22 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.527 1.142 . . . . 72.14 109.318 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . 0.432 ' CD1' ' N ' ' A' ' 27' ' ' ASP . 36.9 p90 -50.19 -36.15 29.41 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.489 1.118 . . . . 73.23 111.002 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . 0.432 ' N ' ' CD1' ' A' ' 26' ' ' PHE . 15.1 t70 -66.89 -73.0 0.14 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.483 1.114 . . . . 72.44 109.298 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . 0.416 ' CB ' ' HB3' ' A' ' 24' ' ' TRP . 43.1 m-20 -42.45 -32.98 0.6 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.52 1.137 . . . . 72.44 109.306 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.468 ' CD2' HD13 ' A' ' 48' ' ' ILE . 5.4 tp -57.8 -53.46 58.0 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.477 1.11 . . . . 63.51 109.316 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . 0.444 ' CG2' ' HA ' ' A' ' 46' ' ' THR . 17.5 mm -56.95 -51.14 72.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.496 1.122 . . . . 74.13 109.278 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 50.4 mmm -57.53 -27.07 62.28 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.564 1.165 . . . . 75.34 111.03 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -64.37 -54.76 27.77 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.506 1.129 . . . . 75.22 109.286 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.41 ' CG1' HD13 ' A' ' 9' ' ' ILE . 5.0 mp -62.77 -43.2 98.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.539 1.149 . . . . 73.43 109.285 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 1.5 m-80 -62.49 -15.35 49.6 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.527 1.142 . . . . 73.02 109.302 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 8.5 t -87.23 -45.41 10.66 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.484 1.115 . . . . 71.51 110.001 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . 0.427 ' HG2' ' CD1' ' A' ' 18' ' ' LEU . 0.0 OUTLIER -65.46 -46.07 81.24 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.505 1.128 . . . . 73.34 109.286 -179.977 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . 0.429 ' CD1' ' HA ' ' A' ' 44' ' ' PRO . 1.4 pt -75.79 -15.6 15.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.48 1.113 . . . . 72.25 109.317 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' SER . . . . . 0.573 ' OG ' ' CE1' ' A' ' 41' ' ' HIS . 20.5 t -39.5 -34.09 0.2 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.124 . . . . 54.21 109.985 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 1.5 t30 -42.47 -52.05 4.82 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.548 1.155 . . . . 74.12 109.303 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 73.1 p -57.38 -66.31 0.48 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.52 1.137 . . . . 75.33 110.374 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' HIS . . . . . 0.573 ' CE1' ' OG ' ' A' ' 38' ' ' SER . 3.7 m-70 65.93 29.91 10.07 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.464 1.103 . . . . 75.5 109.577 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 1.4 pp -113.23 -34.99 2.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.512 1.132 . . . . 75.32 109.353 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 1.9 t -175.19 93.85 0.28 Allowed Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.477 1.111 . . . . 62.4 110.032 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . 0.429 ' HA ' ' CD1' ' A' ' 37' ' ' ILE . 18.5 Cg_endo -74.96 -162.22 0.14 Allowed 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.477 1.777 . . . . 65.32 111.025 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . 0.564 HG21 ' CE1' ' A' ' 86' ' ' TYR . 1.4 pp -153.33 113.69 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.489 1.118 . . . . 74.04 109.26 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' THR . . . . . 0.444 ' HA ' ' CG2' ' A' ' 30' ' ' ILE . 38.6 p -91.63 35.04 0.95 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.49 1.119 . . . . 72.41 110.348 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . 0.436 ' O ' ' CG ' ' A' ' 47' ' ' LYS . 8.6 pttp -157.52 114.38 2.97 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.516 1.135 . . . . 72.14 109.331 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . 0.468 HD13 ' CD2' ' A' ' 29' ' ' LEU . 7.5 pt -109.41 128.86 65.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.533 1.145 . . . . 73.25 109.309 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . 0.425 ' HD3' ' CB ' ' A' ' 57' ' ' PHE . 16.5 ttmm -95.34 103.49 15.36 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.491 1.12 . . . . 74.11 109.281 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' TYR . . . . . 0.464 ' CZ ' ' HB2' ' A' ' 69' ' ' ALA . 8.7 p90 -95.53 146.98 24.04 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.487 1.117 . . . . 74.13 111.015 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 62.7 tt0 -73.95 152.2 40.16 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.473 1.108 . . . . 73.12 110.293 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . 0.44 ' OD2' ' CB ' ' A' ' 54' ' ' ASP . 9.8 p-10 -112.53 -177.55 3.18 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.519 1.137 . . . . 73.11 109.315 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . 0.401 ' N ' ' SD ' ' A' ' 72' ' ' MET . 17.4 pt-20 -64.77 -47.52 77.84 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.516 1.135 . . . . 74.54 110.251 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . 0.44 ' CB ' ' OD2' ' A' ' 52' ' ' ASP . 4.0 t0 -46.74 -28.64 1.58 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.518 1.136 . . . . 73.41 109.273 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 101.58 14.02 30.99 Favored Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.475 1.109 . . . . 63.14 110.992 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 15.2 t0 -104.63 -177.11 3.27 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.499 0.764 . . . . 73.34 109.331 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . 0.425 ' CB ' ' HD3' ' A' ' 49' ' ' LYS . 20.2 m-85 -108.94 139.39 43.86 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.522 1.139 . . . . 73.32 111.027 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -138.48 138.31 42.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.529 1.143 . . . . 72.11 109.262 -179.948 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 46.1 t -69.14 142.9 15.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.488 1.118 . . . . 74.35 109.345 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.468 ' CD2' HD22 ' A' ' 29' ' ' LEU . 0.3 OUTLIER -126.57 104.48 8.14 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.496 1.122 . . . . 74.31 109.314 -179.978 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -144.22 21.72 2.08 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.539 1.149 . . . . 63.24 110.965 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 1.4 m -147.56 175.78 10.59 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.487 0.757 . . . . 74.21 110.012 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . 0.444 ' O ' ' N ' ' A' ' 67' ' ' ASN . 1.1 p-10 -74.36 -29.56 61.62 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.495 1.122 . . . . 74.31 109.31 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . 0.489 ' O ' ' CG2' ' A' ' 68' ' ' VAL . 3.0 tt0 -66.88 -37.96 85.4 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.527 1.142 . . . . 73.22 110.327 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 9.0 m-20 -86.62 -14.29 43.15 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.5 1.125 . . . . 75.54 109.316 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' TRP . . . . . 0.597 ' CZ3' ' OD1' ' A' ' 67' ' ' ASN . 5.5 t90 -95.57 -19.18 19.99 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.52 1.138 . . . . 72.33 107.948 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . 0.597 ' OD1' ' CZ3' ' A' ' 66' ' ' TRP . 58.3 m-20 -98.38 -47.88 5.25 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.478 1.111 . . . . 65.42 109.282 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . 0.489 ' CG2' ' O ' ' A' ' 64' ' ' GLU . 85.4 t -62.73 -30.52 49.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.483 1.115 . . . . 62.11 109.312 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . 0.464 ' HB2' ' CZ ' ' A' ' 50' ' ' TYR . . . -73.47 -20.31 60.73 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.426 1.079 . . . . 75.41 109.292 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 5.1 mtmp? -87.95 -56.59 3.27 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.48 1.112 . . . . 72.12 109.288 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 20.4 pt-20 -49.44 -30.86 8.7 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.553 1.158 . . . . 74.45 110.326 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' MET . . . . . 0.427 ' O ' ' N ' ' A' ' 75' ' ' GLU . 5.7 ttp -64.94 -46.58 81.0 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.499 1.124 . . . . 75.41 111.051 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 4.1 mt -45.89 -45.55 15.32 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.492 1.12 . . . . 71.45 109.286 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -64.15 -36.83 85.34 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.466 1.104 . . . . 74.51 109.285 -179.937 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . 0.427 ' N ' ' O ' ' A' ' 72' ' ' MET . 10.1 mm-40 -74.79 -21.65 59.19 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.477 1.11 . . . . 73.44 110.328 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' ASN . . . . . 0.493 ' CB ' ' OE1' ' A' ' 78' ' ' GLU . 2.0 m-80 -95.86 -14.21 23.37 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.479 1.112 . . . . 52.15 109.264 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 8.3 m-80 61.39 33.9 18.55 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.53 1.144 . . . . 72.14 109.266 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . 0.493 ' OE1' ' CB ' ' A' ' 76' ' ' ASN . 9.1 pt-20 -109.82 168.34 9.49 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.528 1.143 . . . . 74.32 110.321 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 30.2 mmtp -126.4 18.21 7.58 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.487 1.117 . . . . 73.42 109.299 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 26.4 p90 -141.69 166.91 23.45 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.511 1.132 . . . . 71.54 110.957 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.495 ' HB3' ' CD1' ' A' ' 7' ' ' PHE . 2.1 tm? -143.94 150.55 38.51 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 73.14 109.322 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' ASN . . . . . 0.455 ' O ' ' CD1' ' A' ' 81' ' ' LEU . 1.0 OUTLIER -107.12 148.09 29.24 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.486 1.116 . . . . 61.12 109.332 179.936 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . 0.445 HD13 ' CD1' ' A' ' 81' ' ' LEU . 38.6 mm -137.65 157.1 33.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.481 1.113 . . . . 73.15 109.258 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 32.7 ttt-85 -132.74 148.1 52.33 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.491 1.119 . . . . 75.03 110.28 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . 0.568 ' CD1' ' CG2' ' A' ' 9' ' ' ILE . 12.9 mt -140.14 122.04 15.54 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.457 1.098 . . . . 64.2 109.297 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' TYR . . . . . 0.564 ' CE1' HG21 ' A' ' 45' ' ' ILE . 1.6 p90 . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 74.43 111.008 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo . . . . . 0 N--CA 1.453 -0.888 0 N-CA-C 111.02 -0.416 . . . . 71.13 111.02 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -96.42 -51.87 4.19 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.495 1.122 . . . . 75.21 109.319 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 38.04 48.61 2.03 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.464 1.103 . . . . 52.33 110.97 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -133.38 152.55 51.93 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.53 0.782 . . . . 74.31 110.037 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . 0.412 HG13 ' CE ' ' A' ' 22' ' ' LYS . 18.5 mt -130.3 144.84 36.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.52 1.137 . . . . 71.13 109.287 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.436 ' CD1' ' N ' ' A' ' 7' ' ' PHE . 3.2 tm? -100.63 148.6 24.66 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.466 1.104 . . . . 65.14 109.31 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . 0.537 ' CE2' HD13 ' A' ' 29' ' ' LEU . 1.6 m-85 -124.82 115.3 20.46 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.505 1.128 . . . . 73.32 111.029 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . 0.469 ' HG2' ' CG2' ' A' ' 15' ' ' ILE . 10.3 ttp180 -94.13 81.2 4.07 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.471 1.107 . . . . 75.12 110.295 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 4.6 mp -65.61 166.83 1.34 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.526 1.141 . . . . 74.14 109.302 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' SER . . . . . 0.437 ' HB2' ' CG1' ' A' ' 15' ' ' ILE . 0.1 OUTLIER -164.81 145.6 7.65 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.527 1.142 . . . . 72.03 110.047 179.989 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . 0.467 ' C ' ' N ' ' A' ' 13' ' ' SER . 41.1 t80 -150.71 178.12 9.42 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.504 1.127 . . . . 72.42 110.964 -179.927 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . 0.409 ' C ' ' O ' ' A' ' 11' ' ' TYR . 88.4 m-20 -39.77 -29.22 0.06 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.511 1.132 . . . . 74.54 109.283 179.943 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' SER . . . . . 0.467 ' N ' ' C ' ' A' ' 11' ' ' TYR . 3.9 t -73.35 -95.67 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.441 1.088 . . . . 71.03 109.991 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 81.0 mm-40 -141.53 -171.58 3.34 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.445 1.091 . . . . 73.21 110.3 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.469 ' CG2' ' HG2' ' A' ' 8' ' ' ARG . 1.0 OUTLIER -103.91 122.31 56.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.472 1.107 . . . . 73.32 109.269 179.996 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 56.5 m-85 -116.21 175.85 5.36 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.466 1.104 . . . . 71.43 110.97 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 37.0 p -126.54 154.15 44.23 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.514 1.134 . . . . 74.43 110.419 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.442 HD22 ' CE ' ' A' ' 36' ' ' LYS . 1.3 tm? -156.09 123.97 5.63 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.467 1.104 . . . . 72.41 109.298 -179.952 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.44 ' CD1' ' C ' ' A' ' 19' ' ' LEU . 0.2 OUTLIER -78.02 121.51 24.33 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.554 1.159 . . . . 73.45 109.322 179.944 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.418 ' N ' HD11 ' A' ' 19' ' ' LEU . 13.4 p -125.62 115.2 42.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.453 1.095 . . . . 71.03 109.316 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . 0.49 ' HB2' ' CD1' ' A' ' 24' ' ' TRP . 29.4 mm-40 -57.24 168.9 0.65 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.521 1.138 . . . . 74.34 110.28 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . 0.412 ' CE ' HG13 ' A' ' 5' ' ' ILE . 69.9 mttt -89.59 15.15 9.94 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.448 1.092 . . . . 72.34 109.267 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -112.92 -37.19 2.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.521 1.138 . . . . 65.42 109.307 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' TRP . . . . . 0.49 ' CD1' ' HB2' ' A' ' 21' ' ' GLU . 10.8 m0 -55.94 94.49 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 107.992 -1.114 . . . . 74.35 107.992 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . 0.435 ' OD1' ' N ' ' A' ' 25' ' ' ASN . 3.3 p-10 -53.8 176.05 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.478 1.111 . . . . 74.43 109.291 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . 0.41 ' CG ' ' N ' ' A' ' 27' ' ' ASP . 12.5 p90 -50.43 -34.13 23.47 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.531 1.144 . . . . 73.44 110.952 -179.947 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . 0.41 ' N ' ' CG ' ' A' ' 26' ' ' PHE . 33.6 t0 -64.35 -64.83 0.78 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.504 1.127 . . . . 72.04 109.299 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -55.61 -23.96 30.52 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.512 1.132 . . . . 75.41 109.253 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.537 HD13 ' CE2' ' A' ' 7' ' ' PHE . 4.4 tp -70.6 -56.27 6.89 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.535 1.147 . . . . 75.31 109.297 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . 0.433 ' O ' ' ND2' ' A' ' 34' ' ' ASN . 18.9 mm -60.7 -20.17 20.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.491 1.119 . . . . 74.33 109.352 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 8.2 mmt -92.86 -23.96 18.63 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.511 1.132 . . . . 64.45 111.004 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -71.8 -48.49 46.05 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.504 1.128 . . . . 74.12 109.315 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 4.1 mp -73.24 -42.21 58.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.516 1.135 . . . . 64.13 109.282 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . 0.433 ' ND2' ' O ' ' A' ' 30' ' ' ILE . 0.9 OUTLIER -53.71 -25.86 20.43 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.525 1.141 . . . . 73.24 109.291 -179.991 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' SER . . . . . 0.464 ' O ' ' CB ' ' A' ' 38' ' ' SER . 16.9 t -79.31 -47.03 16.57 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.45 1.094 . . . . 53.32 110.01 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . 0.442 ' CE ' HD22 ' A' ' 18' ' ' LEU . 7.7 mptt -59.46 -38.52 80.98 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.496 1.122 . . . . 72.31 109.36 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . 0.428 ' C ' ' N ' ' A' ' 39' ' ' ASN . 2.6 pt -80.38 -15.67 12.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.548 1.155 . . . . 74.15 109.287 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' SER . . . . . 0.464 ' CB ' ' O ' ' A' ' 35' ' ' SER . 8.7 t -40.87 -28.99 0.09 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.437 1.086 . . . . 75.22 109.99 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . 0.428 ' N ' ' C ' ' A' ' 37' ' ' ILE . 0.7 OUTLIER -40.57 -53.52 2.7 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.447 1.092 . . . . 71.12 109.298 -179.992 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 4.9 t -71.93 137.84 47.67 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.499 1.124 . . . . 74.14 110.373 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -101.64 18.51 20.13 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.466 1.104 . . . . 71.04 109.588 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . 0.49 ' O ' ' CB ' ' A' ' 43' ' ' SER . 7.6 pt -81.94 -51.96 14.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.482 1.113 . . . . 73.22 109.289 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' SER . . . . . 0.49 ' CB ' ' O ' ' A' ' 42' ' ' ILE . 2.0 t 159.85 141.4 0.01 OUTLIER Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.467 1.104 . . . . 73.2 110.013 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 -162.22 0.14 Allowed 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.534 1.807 . . . . 75.15 111.029 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . 0.495 ' CD1' ' O ' ' A' ' 45' ' ' ILE . 1.2 pp -146.03 113.71 1.26 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.468 1.105 . . . . 74.44 109.282 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 3.0 p -75.96 -34.19 59.82 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.126 . . . . 71.03 110.35 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -95.83 120.82 36.76 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.474 1.109 . . . . 73.32 109.318 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 17.7 pt -116.47 151.71 18.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.546 1.154 . . . . 73.42 109.317 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 2.8 ttmp? -114.83 111.81 21.79 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.504 1.128 . . . . 72.43 109.289 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' TYR . . . . . 0.559 ' CD1' ' HB2' ' A' ' 60' ' ' LEU . 12.9 p90 -107.58 152.54 24.12 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.483 1.114 . . . . 73.54 110.959 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 34.5 tt0 -75.27 145.46 41.87 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.541 1.151 . . . . 65.52 110.297 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 27.8 p30 -108.41 -179.32 3.84 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.488 1.117 . . . . 74.04 109.334 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . 0.451 ' CA ' ' HG3' ' A' ' 72' ' ' MET . 1.8 pp20? -61.42 -35.36 77.33 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.127 . . . . 74.33 110.304 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 14.5 t0 -64.22 -15.92 60.96 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.502 1.126 . . . . 72.54 109.345 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 86.8 9.51 74.4 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.548 1.155 . . . . 65.35 111.017 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 9.7 m-20 -95.49 175.72 6.45 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.514 0.773 . . . . 64.33 109.277 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . 0.559 ' CD1' ' N ' ' A' ' 57' ' ' PHE . 0.6 OUTLIER -101.07 122.57 43.79 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.505 1.128 . . . . 72.41 111.046 179.971 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . 0.505 HG21 ' CE1' ' A' ' 50' ' ' TYR . 2.0 m -125.43 153.62 33.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.542 1.152 . . . . 73.43 109.296 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 11.3 p -75.7 158.66 5.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.472 1.107 . . . . 72.22 109.315 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.559 ' HB2' ' CD1' ' A' ' 50' ' ' TYR . 0.3 OUTLIER -150.05 114.67 5.26 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.555 1.159 . . . . 72.44 109.318 179.99 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -152.73 22.66 0.81 Allowed Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.458 1.099 . . . . 74.43 111.023 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 10.5 p -150.39 174.06 13.31 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.462 0.743 . . . . 73.24 109.969 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -74.34 -30.03 61.85 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.527 1.142 . . . . 74.3 109.316 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . 0.497 ' O ' ' CG2' ' A' ' 68' ' ' VAL . 34.4 mt-10 -69.02 -16.53 63.74 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.496 1.122 . . . . 75.31 110.304 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 21.9 m-20 -108.33 -17.59 13.96 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.121 . . . . 54.04 109.346 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' TRP . . . . . 0.537 ' CZ2' ' HE3' ' A' ' 70' ' ' LYS . 0.1 OUTLIER -90.62 -23.7 20.74 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.508 1.13 . . . . 75.21 108.031 179.956 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 7.8 t30 -93.71 -46.17 7.36 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.519 1.137 . . . . 64.5 109.304 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . 0.497 ' CG2' ' O ' ' A' ' 64' ' ' GLU . 52.9 t -61.9 -27.14 41.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.496 1.122 . . . . 73.11 109.31 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . 0.523 ' HB3' ' CE2' ' A' ' 50' ' ' TYR . . . -72.11 -39.84 68.61 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.483 1.114 . . . . 73.45 109.283 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . 0.537 ' HE3' ' CZ2' ' A' ' 66' ' ' TRP . 37.0 mttm -63.19 -38.26 90.48 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.539 1.149 . . . . 74.13 109.275 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 72.8 mm-40 -56.74 -28.08 60.48 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.476 1.11 . . . . 73.24 110.329 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' MET . . . . . 0.451 ' HG3' ' CA ' ' A' ' 53' ' ' GLU . 1.0 OUTLIER -69.25 -42.15 75.99 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.514 1.134 . . . . 65.55 110.987 -179.964 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . 0.48 ' CD1' ' O ' ' A' ' 80' ' ' PHE . 0.4 OUTLIER -59.54 -49.38 78.01 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.495 1.122 . . . . 71.04 109.283 179.994 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -62.16 -15.45 46.18 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.496 1.123 . . . . 73.51 109.328 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 24.9 mm-40 -98.0 -26.48 14.62 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.496 1.122 . . . . 71.41 110.332 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' ASN . . . . . 0.442 ' C ' ' N ' ' A' ' 78' ' ' GLU . 2.2 m-80 -94.44 13.74 22.88 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.49 1.119 . . . . 74.02 109.306 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 3.2 m-80 40.47 30.01 0.07 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.503 1.127 . . . . 74.05 109.297 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . 0.442 ' N ' ' C ' ' A' ' 76' ' ' ASN . 15.4 pt-20 -118.69 165.31 14.14 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.466 1.104 . . . . 74.25 110.303 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . 0.408 ' NZ ' ' HB3' ' A' ' 79' ' ' LYS . 1.8 mtmp? -125.44 15.35 8.26 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.52 1.138 . . . . 74.53 109.292 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' PHE . . . . . 0.48 ' O ' ' CD1' ' A' ' 73' ' ' LEU . 6.1 p90 -120.14 152.53 37.5 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.521 1.138 . . . . 74.12 111.013 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.406 ' CD2' HD12 ' A' ' 83' ' ' ILE . 0.6 OUTLIER -135.41 169.28 17.73 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.486 1.116 . . . . 72.21 109.317 -179.996 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' ASN . . . . . 0.408 ' C ' ' ND2' ' A' ' 82' ' ' ASN . 1.1 p-10 -140.44 137.22 33.77 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.455 1.097 . . . . 74.31 109.294 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . 0.503 HG13 ' CD2' ' A' ' 7' ' ' PHE . 8.1 mm -129.03 143.59 40.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.468 1.105 . . . . 75.55 109.337 179.943 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 38.7 ttm-85 -118.49 145.02 45.61 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.557 1.16 . . . . 64.21 110.325 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . 0.446 HD21 ' CD1' ' A' ' 45' ' ' ILE . 37.1 mt -130.42 131.06 45.06 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.531 1.144 . . . . 73.13 109.276 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 2.5 t80 . . . . . 0 C--N 1.325 -0.493 0 O-C-N 124.509 1.13 . . . . 72.5 111.04 179.983 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 N--CA 1.453 -0.867 0 N-CA-C 111.006 -0.421 . . . . 75.33 111.006 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -135.19 145.59 47.86 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.503 1.127 . . . . 73.01 109.335 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 113.18 -17.94 21.53 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.451 1.094 . . . . 72.44 110.991 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -134.26 168.92 17.99 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.506 0.768 . . . . 65.14 109.919 -179.92 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 18.1 mt -135.27 143.94 35.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.469 1.106 . . . . 74.42 109.318 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 5.1 tp -94.8 142.24 27.7 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.552 1.157 . . . . 74.11 109.327 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . 0.567 ' CE1' HG12 ' A' ' 20' ' ' VAL . 2.3 m-30 -118.49 92.43 3.81 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.566 1.166 . . . . 50.02 111.01 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 4.0 mtt180 -59.14 109.8 0.93 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.52 1.138 . . . . 74.05 110.322 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.506 ' HB ' ' CB ' ' A' ' 16' ' ' PHE . 19.9 mm -86.28 96.95 5.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.454 1.096 . . . . 74.01 109.278 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 38.0 m -96.99 117.27 30.78 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.541 1.151 . . . . 75.23 110.041 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . 0.474 ' CD1' ' O ' ' A' ' 85' ' ' LEU . 4.3 t80 -109.4 -168.29 1.31 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.474 1.109 . . . . 71.2 110.998 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . 0.423 ' ND2' ' O ' ' A' ' 86' ' ' TYR . 0.7 OUTLIER -44.95 -61.31 1.66 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.473 1.108 . . . . 72.15 109.301 179.969 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 3.1 m -145.23 19.41 1.57 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.499 1.124 . . . . 73.34 109.983 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . 0.432 ' CG ' ' HB3' ' A' ' 11' ' ' TYR . 4.9 pt-20 -130.47 131.07 44.98 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.55 1.156 . . . . 73.32 110.299 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 5.4 mm -107.11 155.02 7.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.489 1.118 . . . . 65.41 109.264 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . 0.506 ' CB ' ' HB ' ' A' ' 9' ' ' ILE . 0.1 OUTLIER -141.21 -169.16 2.79 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.495 1.122 . . . . 75.33 110.982 179.956 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 2.0 p -149.8 126.47 11.0 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.468 1.105 . . . . 75.31 110.387 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.415 ' CD2' ' C ' ' A' ' 18' ' ' LEU . 4.5 tt -134.23 124.19 25.54 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.514 1.134 . . . . 72.23 109.303 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -87.04 120.26 28.12 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.524 1.14 . . . . 72.21 109.314 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.567 HG12 ' CE1' ' A' ' 7' ' ' PHE . 9.7 p -125.13 118.21 52.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.548 1.155 . . . . 63.51 109.25 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . 0.546 ' HB2' ' CD1' ' A' ' 24' ' ' TRP . 15.3 mm-40 -65.71 168.66 7.38 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.458 1.099 . . . . 74.12 110.324 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 27.6 mttt -87.5 11.53 14.58 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.469 1.106 . . . . 75.1 109.345 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -111.46 -30.74 2.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.495 1.122 . . . . 65.34 109.295 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' TRP . . . . . 0.546 ' CD1' ' HB2' ' A' ' 21' ' ' GLU . 23.4 m0 -57.41 111.84 1.22 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.538 1.149 . . . . 72.22 107.996 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 10.8 p-10 -72.08 -179.3 2.73 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.467 1.104 . . . . 75.12 109.255 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . 0.415 ' CG ' ' N ' ' A' ' 27' ' ' ASP . 51.7 p90 -51.89 -39.17 58.6 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.506 1.129 . . . . 72.51 111.009 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . 0.415 ' N ' ' CG ' ' A' ' 26' ' ' PHE . 2.0 t70 -60.6 -63.12 1.41 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.428 1.08 . . . . 74.35 109.316 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 14.5 m-20 -54.55 -29.83 52.13 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.529 1.143 . . . . 73.33 109.292 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.453 HD12 ' CD1' ' A' ' 33' ' ' ILE . 0.9 OUTLIER -61.86 -61.51 2.44 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.483 1.114 . . . . 74.45 109.344 -179.996 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 24.3 mm -51.46 -48.19 34.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.476 1.11 . . . . 75.41 109.319 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 12.7 mmm -62.7 -19.3 63.75 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.477 1.111 . . . . 73.24 110.998 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -69.49 -64.15 0.93 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.509 1.131 . . . . 55.2 109.311 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.453 ' CD1' HD12 ' A' ' 29' ' ' LEU . 4.1 mp -59.15 -36.94 65.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.463 1.102 . . . . 74.2 109.287 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 1.3 m-80 -62.63 -14.81 47.49 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.517 1.135 . . . . 62.21 109.326 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 5.5 t -81.57 -39.24 24.88 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.526 1.141 . . . . 74.45 109.978 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -74.18 -40.94 62.2 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.503 1.127 . . . . 74.43 109.273 -179.941 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . 0.459 ' CD1' HG13 ' A' ' 45' ' ' ILE . 0.3 OUTLIER -86.66 -1.56 7.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.496 1.122 . . . . 74.33 109.287 -179.978 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 32.4 t -40.09 -29.58 0.08 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.457 1.098 . . . . 73.1 109.978 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . 0.437 ' N ' ' C ' ' A' ' 37' ' ' ILE . 11.6 t30 -55.98 -51.08 69.0 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.454 1.096 . . . . 75.23 109.266 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' THR . . . . . 0.427 ' N ' ' O ' ' A' ' 37' ' ' ILE . 41.3 p -87.36 66.31 9.08 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.5 1.125 . . . . 75.35 110.4 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 15.0 p80 -77.63 -0.49 26.75 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.559 1.162 . . . . 74.32 109.565 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . 0.418 ' CD1' ' H ' ' A' ' 42' ' ' ILE . 0.2 OUTLIER -68.41 -34.07 63.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.479 1.112 . . . . 73.03 109.276 179.999 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 1.5 m -169.14 84.31 0.65 Allowed Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.516 1.135 . . . . 75.34 110.042 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 -162.33 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.476 1.777 . . . . 72.23 110.986 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . 0.459 HG13 ' CD1' ' A' ' 37' ' ' ILE . 1.4 pp -118.95 126.19 75.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.441 1.088 . . . . 63.13 109.3 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 9.8 p -89.86 -12.8 37.97 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.491 1.12 . . . . 64.43 110.4 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 1.4 ptmm? -139.85 122.55 16.38 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.496 1.122 . . . . 74.2 109.307 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 4.2 pt -95.81 155.08 3.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.492 1.12 . . . . 74.41 109.298 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 22.3 mttp -111.91 102.89 11.11 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.569 1.168 . . . . 75.34 109.323 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' TYR . . . . . 0.554 ' CE1' HG21 ' A' ' 58' ' ' VAL . 9.0 p90 -102.04 147.51 26.49 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.518 1.136 . . . . 75.55 110.966 -179.936 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . 0.452 ' O ' ' CD2' ' A' ' 50' ' ' TYR . 58.1 tt0 -70.66 159.07 35.11 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.467 1.104 . . . . 64.12 110.263 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 16.5 p30 -123.12 -174.85 3.04 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.502 1.126 . . . . 65.55 109.3 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . 0.458 ' HB3' ' CG ' ' A' ' 72' ' ' MET . 7.7 pt-20 -68.06 -32.92 73.59 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.47 1.106 . . . . 74.53 110.283 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 28.0 t0 -63.95 -16.47 61.6 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.492 1.12 . . . . 74.33 109.327 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 88.57 6.77 72.95 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.491 1.119 . . . . 74.43 111.009 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -97.95 179.15 4.88 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.5 0.765 . . . . 73.14 109.251 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . 0.53 ' CD1' ' O ' ' A' ' 57' ' ' PHE . 25.2 p90 -103.21 131.22 50.41 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.559 1.162 . . . . 73.12 111.021 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . 0.554 HG21 ' CE1' ' A' ' 50' ' ' TYR . 0.7 OUTLIER -129.72 150.61 34.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.488 1.117 . . . . 75.25 109.294 -179.965 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 3.3 p -78.33 156.85 5.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.504 1.128 . . . . 72.45 109.312 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.433 HD11 ' CB ' ' A' ' 65' ' ' ASP . 0.4 OUTLIER -148.28 115.0 6.02 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.486 1.116 . . . . 73.31 109.279 -179.997 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -154.13 26.92 0.71 Allowed Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.486 1.116 . . . . 55.32 110.996 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 3.3 m -156.76 157.99 36.06 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.547 0.793 . . . . 70.42 110.0 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 6.1 t70 -63.09 -18.23 63.17 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.562 1.164 . . . . 71.32 109.284 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . 0.474 ' O ' ' CG2' ' A' ' 68' ' ' VAL . 4.5 tt0 -79.33 -17.32 54.78 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.473 1.108 . . . . 74.42 110.279 -179.952 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . 0.433 ' CB ' HD11 ' A' ' 60' ' ' LEU . 3.1 m-20 -107.88 -15.94 14.42 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.487 1.117 . . . . 74.24 109.306 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' TRP . . . . . 0.504 ' CE2' ' HE2' ' A' ' 70' ' ' LYS . 0.3 OUTLIER -92.37 -24.17 18.98 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.517 1.136 . . . . 71.52 107.987 179.972 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 7.7 t30 -93.26 -50.95 5.23 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.508 1.13 . . . . 74.33 109.276 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . 0.474 ' CG2' ' O ' ' A' ' 64' ' ' GLU . 72.4 t -59.07 -26.93 34.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.495 1.122 . . . . 75.41 109.283 -179.95 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . 0.438 ' HB1' ' CZ ' ' A' ' 50' ' ' TYR . . . -76.78 -48.87 17.32 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.485 1.115 . . . . 60.51 109.32 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . 0.504 ' HE2' ' CE2' ' A' ' 66' ' ' TRP . 17.6 mtmt -55.76 -44.77 77.94 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.455 1.097 . . . . 73.35 109.304 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 56.4 mm-40 -58.82 -15.89 14.54 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.499 1.124 . . . . 75.32 110.32 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' MET . . . . . 0.458 ' CG ' ' HB3' ' A' ' 53' ' ' GLU . 5.8 tpt -86.14 -22.29 27.12 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.555 1.16 . . . . 75.14 111.031 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . 0.485 ' CD1' ' O ' ' A' ' 80' ' ' PHE . 0.6 OUTLIER -63.0 -60.94 2.77 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.452 1.095 . . . . 74.32 109.298 179.994 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -53.22 -27.71 23.34 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.52 1.138 . . . . 75.13 109.296 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . 0.42 ' HB2' ' CE ' ' A' ' 72' ' ' MET . 5.6 mm-40 -85.46 -25.21 27.06 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.518 1.136 . . . . 72.33 110.303 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' ASN . . . . . 0.437 ' N ' ' O ' ' A' ' 72' ' ' MET . 29.3 m-20 -85.77 -12.34 51.26 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.551 1.157 . . . . 71.35 109.294 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 68.5 m-80 61.04 34.6 19.18 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.573 1.17 . . . . 73.3 109.305 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . 0.417 ' HG3' ' CD1' ' A' ' 73' ' ' LEU . 14.1 pt-20 -116.87 165.25 13.54 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.535 1.147 . . . . 74.23 110.333 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 36.8 mtmt -121.12 16.63 11.58 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.489 1.118 . . . . 73.12 109.3 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' PHE . . . . . 0.485 ' O ' ' CD1' ' A' ' 73' ' ' LEU . 25.4 p90 -144.5 -174.89 4.44 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.493 1.121 . . . . 74.41 110.993 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.426 ' CD2' ' N ' ' A' ' 82' ' ' ASN . 5.6 tt -143.98 166.58 24.57 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.512 1.133 . . . . 74.5 109.27 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' ASN . . . . . 0.443 ' C ' ' ND2' ' A' ' 82' ' ' ASN . 1.0 OUTLIER -123.13 113.62 19.23 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.489 1.118 . . . . 74.31 109.29 -179.996 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . 0.465 HG21 ' CD1' ' A' ' 85' ' ' LEU . 42.5 mm -103.03 158.6 4.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.488 1.117 . . . . 74.2 109.331 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 11.4 tpp85 -133.26 127.2 33.15 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.5 1.125 . . . . 74.03 110.317 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . 0.474 ' O ' ' CD1' ' A' ' 11' ' ' TYR . 6.7 mp -123.36 110.65 15.42 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.514 1.134 . . . . 73.02 109.302 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' TYR . . . . . 0.423 ' O ' ' ND2' ' A' ' 12' ' ' ASN . 3.9 m-30 . . . . . 0 C--N 1.324 -0.511 0 O-C-N 124.514 1.134 . . . . 74.31 111.028 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 N--CA 1.453 -0.876 0 N-CA-C 111.016 -0.417 . . . . 73.11 111.016 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 4.3 mp -85.37 160.27 19.81 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.478 1.111 . . . . 73.32 109.305 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . 0.475 ' H ' ' NZ ' ' A' ' 22' ' ' LYS . . . 87.65 -17.95 41.62 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.542 1.151 . . . . 71.44 111.006 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -136.79 155.56 49.66 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.513 0.772 . . . . 71.15 109.995 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . 0.454 ' CD1' HD11 ' A' ' 73' ' ' LEU . 20.7 mt -138.36 150.07 24.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.54 1.15 . . . . 74.32 109.25 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 3.4 tp -103.29 140.46 37.37 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.502 1.126 . . . . 74.53 109.288 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . 0.514 ' CD1' ' CG1' ' A' ' 20' ' ' VAL . 2.4 m-30 -118.41 124.07 46.79 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.489 1.118 . . . . 75.32 110.991 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 42.2 mtp180 -94.5 91.72 6.76 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.481 1.113 . . . . 74.41 110.301 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.452 ' N ' ' O ' ' A' ' 16' ' ' PHE . 5.2 mp -76.99 104.09 4.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.509 1.131 . . . . 75.14 109.35 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 19.3 t -104.67 132.72 50.58 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.525 1.141 . . . . 74.33 109.978 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . 0.542 ' CG ' ' N ' ' A' ' 12' ' ' ASN . 59.4 t80 -142.37 173.57 11.41 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.508 1.13 . . . . 74.23 110.993 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . 0.542 ' N ' ' CG ' ' A' ' 11' ' ' TYR . 22.6 t-20 -39.78 -28.81 0.05 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.442 1.089 . . . . 72.12 109.309 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' SER . . . . . 0.471 ' N ' ' C ' ' A' ' 11' ' ' TYR . 4.6 m -74.96 -95.42 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.568 1.167 . . . . 73.33 110.028 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 62.4 mt-10 -141.93 -171.62 3.39 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.458 1.099 . . . . 73.11 110.269 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 1.2 mt -104.12 123.23 57.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.506 1.129 . . . . 72.31 109.335 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . 0.452 ' O ' ' N ' ' A' ' 9' ' ' ILE . 58.6 m-85 -120.88 148.92 43.38 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.518 1.136 . . . . 74.41 111.017 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 35.4 p -96.24 153.08 18.0 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.498 1.124 . . . . 73.55 110.392 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.418 HD22 ' NZ ' ' A' ' 36' ' ' LYS . 2.9 tm? -152.01 106.75 3.23 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.524 1.14 . . . . 72.23 109.268 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.5 ' CD1' ' C ' ' A' ' 19' ' ' LEU . 0.4 OUTLIER -67.64 97.98 0.66 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.512 1.133 . . . . 62.43 109.33 179.947 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.519 ' HA ' ' CZ3' ' A' ' 24' ' ' TRP . 2.6 p -102.62 109.34 26.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.45 1.094 . . . . 71.45 109.318 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . 0.431 ' HB2' ' CD1' ' A' ' 24' ' ' TRP . 9.9 mm-40 -54.55 167.83 0.31 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.541 1.151 . . . . 71.13 110.273 -179.95 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . 0.475 ' NZ ' ' H ' ' A' ' 3' ' ' GLY . 78.6 mttt -88.79 12.49 14.9 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.475 1.109 . . . . 55.22 109.313 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . 0.413 ' CG1' ' HB3' ' A' ' 21' ' ' GLU . 0.4 OUTLIER -110.34 -26.2 3.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.509 1.131 . . . . 74.31 109.334 179.994 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' TRP . . . . . 0.519 ' CZ3' ' HA ' ' A' ' 20' ' ' VAL . 28.2 m0 -60.78 91.84 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 107.952 -1.129 . . . . 74.22 107.952 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . 0.414 ' OD1' ' N ' ' A' ' 25' ' ' ASN . 5.4 p-10 -51.9 178.84 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.497 1.123 . . . . 71.41 109.31 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . 0.592 ' CZ ' ' O ' ' A' ' 61' ' ' GLY . 0.7 OUTLIER -52.52 -34.68 50.89 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.529 1.143 . . . . 75.11 111.023 -179.998 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 11.3 t0 -69.64 -64.19 0.93 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.498 1.124 . . . . 72.03 109.336 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 60.7 m-20 -49.12 -31.72 8.62 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.503 1.127 . . . . 74.25 109.336 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.459 HD11 ' CD1' ' A' ' 33' ' ' ILE . 2.1 tp -62.72 -60.76 3.05 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.536 1.148 . . . . 74.31 109.29 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 25.3 mm -54.87 -32.24 26.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.495 1.122 . . . . 75.15 109.314 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 19.4 mmm -79.54 -22.31 44.03 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.439 1.087 . . . . 73.44 110.961 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -68.24 -55.44 12.19 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.449 1.093 . . . . 50.42 109.253 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.459 ' CD1' HD11 ' A' ' 29' ' ' LEU . 3.8 mp -67.05 -43.18 89.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.473 1.108 . . . . 73.21 109.287 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 1.4 m-80 -57.09 -18.57 15.09 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.498 1.124 . . . . 75.12 109.325 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 5.0 t -80.24 -43.04 22.1 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.481 1.113 . . . . 72.12 109.966 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . 0.418 ' NZ ' HD22 ' A' ' 18' ' ' LEU . 5.8 mptt -69.52 -44.91 70.06 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.515 1.135 . . . . 71.25 109.278 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . 0.467 ' CD1' HG13 ' A' ' 45' ' ' ILE . 0.6 OUTLIER -78.05 -0.57 3.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.522 1.139 . . . . 75.35 109.337 179.981 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' SER . . . . . 0.429 ' C ' ' N ' ' A' ' 40' ' ' THR . 19.9 t -60.9 -14.7 23.96 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.486 1.116 . . . . 74.13 109.951 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 1.4 t30 -40.43 -30.13 0.1 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.467 1.104 . . . . 75.41 109.307 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' THR . . . . . 0.486 ' OG1' ' CG1' ' A' ' 42' ' ' ILE . 3.5 t -107.02 -46.03 4.01 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.502 1.126 . . . . 61.41 110.391 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' HIS . . . . . 0.485 ' CG ' ' O ' ' A' ' 41' ' ' HIS . 10.9 t-80 52.5 34.53 15.61 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.556 1.16 . . . . 71.35 109.609 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . 0.486 ' CG1' ' OG1' ' A' ' 40' ' ' THR . 1.5 pp -116.64 -39.07 2.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.468 1.105 . . . . 74.41 109.332 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 69.8 m -149.54 83.66 6.34 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.466 1.104 . . . . 75.41 110.03 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 -162.23 0.14 Allowed 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.522 1.801 . . . . 75.24 111.04 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . 0.467 HG13 ' CD1' ' A' ' 37' ' ' ILE . 1.3 pp -135.21 136.58 51.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.495 1.122 . . . . 71.34 109.262 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 57.0 p -104.86 -20.27 13.63 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.45 1.094 . . . . 74.34 110.357 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 8.1 mtmm -112.85 124.73 53.27 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.472 1.107 . . . . 72.04 109.31 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . 0.414 ' O ' ' N ' ' A' ' 60' ' ' LEU . 15.0 pt -123.32 130.59 74.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.484 1.115 . . . . 75.13 109.295 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 16.5 ttmt -97.17 103.72 15.68 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.491 1.12 . . . . 74.24 109.332 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' TYR . . . . . 0.504 ' CE1' HG23 ' A' ' 58' ' ' VAL . 9.4 p90 -97.39 147.71 23.92 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.492 1.12 . . . . 75.54 110.988 -179.954 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 40.7 tt0 -76.2 158.48 31.62 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.443 1.09 . . . . 71.12 110.249 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 8.0 t0 -122.71 -174.04 2.83 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.473 1.108 . . . . 65.11 109.284 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . 0.484 ' CB ' ' OD1' ' A' ' 76' ' ' ASN . 1.8 pp20? -69.87 -37.95 76.24 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.506 1.129 . . . . 75.35 110.294 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 33.3 t70 -58.64 -17.8 25.24 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.475 1.11 . . . . 74.54 109.297 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 89.59 5.07 72.35 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.491 1.119 . . . . 72.33 110.997 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 4.4 t70 -101.31 148.03 25.62 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.511 0.771 . . . . 75.22 109.315 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . 0.433 ' CD1' ' O ' ' A' ' 57' ' ' PHE . 10.2 p90 -76.22 144.73 40.23 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.499 1.124 . . . . 75.55 110.995 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . 0.504 HG23 ' CE1' ' A' ' 50' ' ' TYR . 0.1 OUTLIER -141.36 146.94 22.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.471 1.107 . . . . 65.51 109.342 179.957 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 9.2 p -72.87 154.32 7.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.53 1.144 . . . . 73.04 109.28 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.447 ' HB2' ' CD1' ' A' ' 50' ' ' TYR . 2.5 tp -143.25 118.48 10.17 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.499 1.125 . . . . 64.54 109.326 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . 0.592 ' O ' ' CZ ' ' A' ' 26' ' ' PHE . . . -158.05 27.59 0.45 Allowed Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.535 1.147 . . . . 71.25 110.992 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -159.63 152.28 21.43 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.558 0.799 . . . . 74.04 110.027 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 22.5 t70 -66.26 -21.97 66.3 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.488 1.118 . . . . 72.43 109.326 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . 0.47 ' O ' ' CG2' ' A' ' 68' ' ' VAL . 3.2 tp10 -74.75 -14.83 60.76 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.545 1.153 . . . . 64.12 110.34 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 9.4 t0 -109.72 -17.22 13.74 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.508 1.13 . . . . 74.33 109.294 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' TRP . . . . . 0.596 ' O ' ' CE3' ' A' ' 66' ' ' TRP . 3.5 t-105 -92.53 -23.7 19.0 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.541 1.15 . . . . 75.51 107.996 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 7.7 t30 -93.91 -35.29 12.74 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.49 1.119 . . . . 72.31 109.268 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . 0.47 ' CG2' ' O ' ' A' ' 64' ' ' GLU . 29.2 t -72.89 -20.91 19.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.512 1.133 . . . . 74.53 109.29 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . 0.433 ' O ' ' CB ' ' A' ' 72' ' ' MET . . . -83.3 -47.43 11.51 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.47 1.107 . . . . 61.51 109.291 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . 0.558 ' HG3' ' CZ3' ' A' ' 66' ' ' TRP . 37.1 mtmt -48.9 -56.46 8.75 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.504 1.127 . . . . 73.02 109.332 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 11.1 mt-10 -45.51 -26.78 0.63 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.487 1.117 . . . . 62.51 110.303 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' MET . . . . . 0.433 ' CB ' ' O ' ' A' ' 69' ' ' ALA . 17.0 tpp -72.16 -39.43 68.71 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.465 1.103 . . . . 72.21 111.018 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . 0.454 HD11 ' CD1' ' A' ' 5' ' ' ILE . 6.8 mt -45.47 -50.67 12.49 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.557 1.161 . . . . 74.05 109.304 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -54.75 -39.99 68.88 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.518 1.136 . . . . 62.31 109.282 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 65.9 mt-10 -77.17 -18.91 57.45 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.527 1.142 . . . . 75.11 110.299 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' ASN . . . . . 0.497 ' CB ' ' OE1' ' A' ' 78' ' ' GLU . 63.0 m-20 -91.61 -13.33 32.11 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.475 1.109 . . . . 75.2 109.261 -179.949 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . 0.41 ' N ' HD21 ' A' ' 77' ' ' ASN . 1.9 m-80 60.51 32.67 20.54 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.526 1.141 . . . . 75.15 109.275 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . 0.497 ' OE1' ' CB ' ' A' ' 76' ' ' ASN . 10.2 pt-20 -114.42 162.75 16.26 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.498 1.124 . . . . 71.51 110.316 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -121.78 24.55 9.64 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.497 1.123 . . . . 75.42 109.344 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 11.4 p90 -153.5 -177.33 6.28 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.482 1.114 . . . . 73.41 111.003 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.481 ' CD2' ' N ' ' A' ' 82' ' ' ASN . 10.1 tt -142.02 167.87 21.1 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.492 1.12 . . . . 73.24 109.279 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' ASN . . . . . 0.481 ' N ' ' CD2' ' A' ' 81' ' ' LEU . 0.9 OUTLIER -123.24 112.89 18.2 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.537 1.148 . . . . 73.13 109.304 179.978 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . 0.462 HG13 ' CD2' ' A' ' 7' ' ' PHE . 14.5 mm -99.77 158.35 3.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.462 1.101 . . . . 74.25 109.293 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 3.2 tpp85 -141.72 148.04 38.39 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.471 1.107 . . . . 74.45 110.336 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . 0.461 ' CD2' HG12 ' A' ' 45' ' ' ILE . 33.2 mt -136.85 125.35 23.56 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.49 1.119 . . . . 75.44 109.282 -179.942 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 3.3 m-85 . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.558 1.161 . . . . 74.22 111.001 179.99 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 N--CA 1.453 -0.878 0 N-CA-C 111.013 -0.418 . . . . 75.13 111.013 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 13.9 mt -108.89 -175.02 2.66 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.466 1.104 . . . . 75.55 109.308 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 59.8 73.97 0.42 Allowed Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.459 1.1 . . . . 53.54 110.946 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' SER . . . . . 0.437 ' CB ' HD12 ' A' ' 19' ' ' LEU . 1.0 OUTLIER -148.15 163.19 37.72 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.539 0.787 . . . . 72.44 109.977 179.976 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . 0.469 ' CD1' ' HE2' ' A' ' 22' ' ' LYS . 16.1 mt -121.55 147.35 25.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.5 1.125 . . . . 74.3 109.294 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 3.8 tp -90.52 139.99 30.17 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.488 1.118 . . . . 73.45 109.284 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . 0.497 ' CD1' HG13 ' A' ' 20' ' ' VAL . 1.8 m-85 -129.39 111.02 12.39 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.533 1.146 . . . . 74.52 110.964 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . 0.471 ' CD ' ' CG2' ' A' ' 17' ' ' THR . 46.3 mmm-85 -88.19 119.09 28.25 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.512 1.133 . . . . 74.31 110.316 179.944 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.467 ' CG2' HD22 ' A' ' 85' ' ' LEU . 4.3 mp -95.93 80.64 1.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.45 1.094 . . . . 73.44 109.298 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' SER . . . . . 0.47 ' OG ' ' CG2' ' A' ' 15' ' ' ILE . 19.9 m -90.84 125.05 35.62 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.495 1.122 . . . . 73.02 109.971 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . 0.514 ' CG ' ' N ' ' A' ' 12' ' ' ASN . 79.4 t80 -131.16 175.46 9.09 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.537 1.148 . . . . 75.04 110.981 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . 0.514 ' N ' ' CG ' ' A' ' 11' ' ' TYR . 37.6 m-20 -38.81 -29.54 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.498 1.124 . . . . 74.2 109.284 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' SER . . . . . 0.466 ' N ' ' C ' ' A' ' 11' ' ' TYR . 9.6 t -70.47 -92.89 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.512 1.133 . . . . 72.2 109.99 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 12.1 mt-10 -140.85 -154.49 0.52 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.504 1.128 . . . . 75.02 110.333 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.572 ' N ' ' CD1' ' A' ' 15' ' ' ILE . 1.7 mp -115.04 138.1 46.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.497 1.123 . . . . 73.51 109.339 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 7.8 t80 -128.68 177.71 6.85 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.482 1.114 . . . . 73.52 110.993 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' THR . . . . . 0.471 ' CG2' ' CD ' ' A' ' 8' ' ' ARG . 19.7 p -131.63 146.16 52.06 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.45 1.094 . . . . 64.43 110.375 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 7.1 tt -150.26 124.58 9.52 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.539 1.149 . . . . 75.23 109.295 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.437 HD12 ' CB ' ' A' ' 4' ' ' SER . 0.2 OUTLIER -82.94 114.74 21.43 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.502 1.126 . . . . 73.04 109.313 -179.976 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.497 HG13 ' CD1' ' A' ' 7' ' ' PHE . 8.3 p -122.03 122.58 67.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.513 1.133 . . . . 71.51 109.32 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . 0.565 ' HB2' ' CD1' ' A' ' 24' ' ' TRP . 23.5 mt-10 -63.41 168.99 4.03 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.463 1.102 . . . . 75.45 110.269 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . 0.469 ' HE2' ' CD1' ' A' ' 5' ' ' ILE . 1.0 OUTLIER -87.94 10.2 19.64 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.503 1.127 . . . . 74.44 109.288 -179.998 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -111.19 -18.49 7.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.501 1.125 . . . . 75.33 109.307 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' TRP . . . . . 0.565 ' CD1' ' HB2' ' A' ' 21' ' ' GLU . 22.5 m0 -72.34 86.63 1.12 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.502 1.127 . . . . 75.22 108.016 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . 0.521 ' HA ' ' CE2' ' A' ' 66' ' ' TRP . 8.3 p-10 -52.71 175.89 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.522 1.139 . . . . 74.32 109.295 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 8.3 p90 -47.35 -30.75 3.41 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.453 1.096 . . . . 70.42 111.026 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 19.2 t70 -65.49 -69.29 0.3 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.516 1.135 . . . . 62.42 109.348 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . 0.45 ' O ' ' N ' ' A' ' 32' ' ' ALA . 24.5 m-20 -51.22 -30.28 16.88 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.508 1.13 . . . . 73.32 109.299 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.491 HD12 ' CE2' ' A' ' 7' ' ' PHE . 1.5 tp -61.19 -57.55 11.99 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.494 1.121 . . . . 74.33 109.283 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 17.8 mm -57.81 -29.69 35.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.467 1.105 . . . . 75.32 109.29 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 7.1 mmt -82.89 -21.98 34.1 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.505 1.128 . . . . 75.42 111.013 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . 0.45 ' N ' ' O ' ' A' ' 28' ' ' ASP . . . -68.99 -49.99 52.9 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.51 1.131 . . . . 62.4 109.343 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.444 ' CG1' HG12 ' A' ' 9' ' ' ILE . 3.1 mp -70.23 -40.43 78.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.475 1.109 . . . . 72.32 109.308 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 1.6 m-80 -64.56 -15.45 61.03 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.478 1.111 . . . . 74.11 109.305 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 1.5 t -85.52 -45.87 11.38 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.534 1.147 . . . . 75.2 109.994 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -67.17 -51.53 52.61 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.513 1.133 . . . . 72.41 109.334 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 1.8 pt -63.19 -16.01 16.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.482 1.114 . . . . 73.32 109.269 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' SER . . . . . 0.4 ' O ' ' C ' ' A' ' 39' ' ' ASN . 2.3 t -50.77 -25.27 4.2 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.536 1.147 . . . . 63.01 109.976 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . 0.4 ' C ' ' O ' ' A' ' 38' ' ' SER . 7.4 t30 -40.55 -32.96 0.23 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.497 1.123 . . . . 64.3 109.265 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' THR . . . . . 0.476 ' O ' ' CG ' ' A' ' 41' ' ' HIS . 11.4 p -91.18 -42.98 10.13 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.502 1.126 . . . . 74.12 110.365 -179.942 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' HIS . . . . . 0.476 ' CG ' ' O ' ' A' ' 40' ' ' THR . 28.3 p80 47.35 50.67 14.34 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.47 1.106 . . . . 75.44 109.596 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 6.6 pt -127.05 -46.43 1.26 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.533 1.145 . . . . 72.15 109.288 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 1.7 t -161.85 93.84 1.33 Allowed Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.482 1.114 . . . . 74.51 110.013 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -162.23 0.14 Allowed 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.512 1.796 . . . . 73.53 111.04 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . 0.458 HG12 ' CD2' ' A' ' 85' ' ' LEU . 1.1 pp -129.93 165.03 31.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 74.44 109.307 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 73.9 p -130.83 5.96 4.64 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.49 1.119 . . . . 71.43 110.444 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 31.0 mtpt -136.38 141.11 43.66 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.54 1.15 . . . . 74.54 109.256 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . 0.43 ' CD1' HD13 ' A' ' 29' ' ' LEU . 19.0 pt -138.67 126.55 28.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.511 1.132 . . . . 74.05 109.271 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 1.3 ttmp? -98.94 106.72 19.01 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.482 1.114 . . . . 74.5 109.264 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' TYR . . . . . 0.51 ' CZ ' ' HB1' ' A' ' 69' ' ' ALA . 8.2 p90 -99.46 149.74 22.9 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.542 1.151 . . . . 70.41 111.011 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . 0.456 ' O ' ' CD2' ' A' ' 50' ' ' TYR . 33.6 tt0 -62.74 144.49 56.36 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.544 1.153 . . . . 72.01 110.282 -179.933 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . 0.409 ' HB2' ' CG2' ' A' ' 58' ' ' VAL . 12.5 t0 -105.15 177.13 4.94 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.478 1.111 . . . . 72.22 109.274 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 2.2 pm0 -63.21 -27.12 69.14 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.424 1.078 . . . . 71.43 110.29 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 4.0 t70 -89.34 14.73 10.46 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.532 1.145 . . . . 70.11 109.316 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 59.98 18.64 48.23 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.448 1.093 . . . . 70.54 111.011 -179.934 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -102.02 129.04 48.22 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.504 0.767 . . . . 74.42 109.293 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . 0.455 ' CD1' ' O ' ' A' ' 57' ' ' PHE . 12.7 p90 -57.61 120.45 8.36 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.522 1.139 . . . . 65.34 110.976 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . 0.5 HG23 ' CE1' ' A' ' 50' ' ' TYR . 0.2 OUTLIER -122.19 145.82 28.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.536 1.148 . . . . 75.43 109.3 179.957 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 11.5 t -72.74 154.71 7.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.537 1.148 . . . . 74.22 109.28 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.498 ' CD1' ' C ' ' A' ' 60' ' ' LEU . 0.3 OUTLIER -150.47 120.51 7.19 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.471 1.107 . . . . 74.51 109.309 179.993 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -159.75 26.72 0.34 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.522 1.139 . . . . 64.52 110.998 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 5.3 m -151.24 171.15 17.87 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.453 0.737 . . . . 74.41 110.001 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 8.8 t70 -70.84 -25.67 62.93 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.497 1.123 . . . . 75.41 109.329 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . 0.495 ' O ' ' CG2' ' A' ' 68' ' ' VAL . 16.4 pt-20 -70.72 -36.72 73.35 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.505 1.128 . . . . 70.04 110.321 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . 0.451 ' O ' ' CB ' ' A' ' 69' ' ' ALA . 4.1 m-20 -86.81 -9.53 55.6 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.456 1.098 . . . . 74.01 109.323 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' TRP . . . . . 0.576 ' CZ3' ' OD1' ' A' ' 67' ' ' ASN . 8.9 t90 -96.84 -22.58 16.83 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.499 1.125 . . . . 75.43 108.008 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . 0.576 ' OD1' ' CZ3' ' A' ' 66' ' ' TRP . 26.3 m-20 -98.32 -44.22 6.63 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.46 1.1 . . . . 73.41 109.308 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . 0.495 ' CG2' ' O ' ' A' ' 64' ' ' GLU . 51.8 t -72.45 -6.07 7.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.499 1.124 . . . . 55.12 109.328 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . 0.51 ' HB1' ' CZ ' ' A' ' 50' ' ' TYR . . . -96.41 -24.71 16.01 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.491 1.12 . . . . 52.24 109.241 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . 0.561 ' HE3' ' CZ2' ' A' ' 66' ' ' TRP . 32.4 mttm -75.32 -36.21 61.11 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.496 1.123 . . . . 73.31 109.305 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -56.33 -31.66 63.94 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.506 1.129 . . . . 74.22 110.3 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' MET . . . . . 0.448 ' O ' ' N ' ' A' ' 76' ' ' ASN . 2.5 ttt -64.77 -46.98 79.85 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.555 1.159 . . . . 73.34 110.981 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . 0.42 HD22 ' CG ' ' A' ' 78' ' ' GLU . 6.3 mt -49.29 -45.13 44.75 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.534 1.146 . . . . 74.43 109.256 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -65.71 -34.29 77.85 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.456 1.097 . . . . 74.11 109.316 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 -78.63 -18.82 53.91 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.527 1.142 . . . . 73.1 110.307 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' ASN . . . . . 0.501 ' N ' HD21 ' A' ' 76' ' ' ASN . 1.4 m-80 -102.48 15.22 29.86 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.563 1.165 . . . . 73.34 109.319 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 49.7 m-80 40.96 29.61 0.08 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.503 1.127 . . . . 74.13 109.285 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . 0.589 ' OE1' ' CE2' ' A' ' 80' ' ' PHE . 13.5 pt-20 -117.79 161.48 19.65 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.529 1.143 . . . . 73.01 110.313 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 7.8 mtmp? -124.14 25.35 7.87 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.461 1.101 . . . . 73.33 109.313 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' PHE . . . . . 0.589 ' CE2' ' OE1' ' A' ' 78' ' ' GLU . 8.2 p90 -133.17 166.72 21.8 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.531 1.144 . . . . 73.43 110.98 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.469 HD11 ' CZ ' ' A' ' 7' ' ' PHE . 8.4 tt -134.02 172.26 13.07 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.535 1.147 . . . . 74.34 109.276 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' ASN . . . . . 0.462 ' N ' ' CD2' ' A' ' 81' ' ' LEU . 0.9 OUTLIER -144.49 111.39 5.8 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.511 1.132 . . . . 73.4 109.305 179.978 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . 0.454 ' CD1' HD21 ' A' ' 81' ' ' LEU . 31.5 mm -93.46 157.54 2.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.48 1.112 . . . . 74.13 109.239 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 7.4 tpp180 -140.06 110.02 6.46 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.561 1.163 . . . . 73.24 110.309 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . 0.467 HD22 ' CG2' ' A' ' 9' ' ' ILE . 4.2 mp -89.66 137.37 32.39 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.541 1.15 . . . . 72.03 109.316 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' TYR . . . . . 0.403 ' C ' ' O ' ' A' ' 85' ' ' LEU . 29.0 m-85 . . . . . 0 C--N 1.325 -0.495 0 O-C-N 124.441 1.088 . . . . 73.53 110.966 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo . . . . . 0 N--CA 1.453 -0.873 0 N-CA-C 111.035 -0.41 . . . . 71.04 111.035 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 3.6 mp -96.8 -20.66 18.04 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.467 1.105 . . . . 75.01 109.3 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -82.42 69.99 3.24 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.547 1.155 . . . . 60.21 110.989 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 2.5 m -147.27 170.97 16.15 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.517 0.775 . . . . 72.31 109.992 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . 0.444 ' CD1' ' HE2' ' A' ' 22' ' ' LYS . 17.2 mt -125.61 149.53 30.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.525 1.14 . . . . 70.04 109.319 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 7.9 tt -104.3 148.89 25.86 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.436 1.085 . . . . 74.32 109.341 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . 0.579 ' CE2' ' CD1' ' A' ' 29' ' ' LEU . 2.0 m-30 -119.62 95.59 4.84 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.537 1.148 . . . . 75.0 110.997 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 62.4 ttp85 -75.72 64.97 1.81 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.487 1.117 . . . . 74.54 110.296 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 2.7 mt -48.36 163.87 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.513 1.133 . . . . 74.22 109.32 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' SER . . . . . 0.498 ' OG ' ' CD1' ' A' ' 15' ' ' ILE . 5.6 t -168.37 131.65 1.51 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.497 1.123 . . . . 62.52 109.963 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . 0.54 ' CG ' ' N ' ' A' ' 12' ' ' ASN . 57.4 t80 -145.21 173.42 11.96 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.488 1.118 . . . . 70.43 111.009 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . 0.54 ' N ' ' CG ' ' A' ' 11' ' ' TYR . 62.6 t30 -40.16 -28.19 0.05 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.507 1.13 . . . . 72.23 109.282 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' SER . . . . . 0.46 ' N ' ' O ' ' A' ' 11' ' ' TYR . 7.1 t -70.0 -90.33 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.441 1.088 . . . . 50.31 110.016 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 29.9 mt-10 -149.03 -173.28 4.33 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.484 1.115 . . . . 74.33 110.306 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.498 ' CD1' ' OG ' ' A' ' 10' ' ' SER . 11.6 mm -95.42 131.75 41.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.537 1.148 . . . . 73.04 109.288 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 97.2 m-85 -126.27 165.92 18.07 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.507 1.13 . . . . 71.54 110.982 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 4.1 p -134.2 133.73 41.26 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.462 1.102 . . . . 74.44 110.376 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 2.1 tm? -133.89 113.86 12.68 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.512 1.133 . . . . 72.25 109.314 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.486 ' CD1' ' C ' ' A' ' 19' ' ' LEU . 0.2 OUTLIER -75.17 101.83 4.74 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.532 1.145 . . . . 74.11 109.26 -179.989 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.55 HG23 ' CE3' ' A' ' 24' ' ' TRP . 4.6 p -101.0 153.64 4.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.542 1.151 . . . . 63.43 109.281 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . 0.559 ' HB2' ' CD1' ' A' ' 24' ' ' TRP . 18.0 mm-40 -90.75 167.79 12.23 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.483 1.114 . . . . 72.45 110.314 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . 0.444 ' HE2' ' CD1' ' A' ' 5' ' ' ILE . 0.2 OUTLIER -89.69 15.67 9.2 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.471 1.107 . . . . 75.12 109.284 -179.977 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -116.1 -38.78 2.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.53 1.144 . . . . 65.12 109.351 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' TRP . . . . . 0.559 ' CD1' ' HB2' ' A' ' 21' ' ' GLU . 7.7 m0 -56.32 96.77 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.559 1.162 . . . . 74.3 108.009 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . 0.501 ' HA ' ' CE2' ' A' ' 66' ' ' TRP . 17.3 p-10 -55.89 174.29 0.12 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.442 1.089 . . . . 73.24 109.299 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 31.8 p90 -53.46 -24.36 12.69 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.531 1.145 . . . . 74.24 111.019 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -72.57 -70.27 0.36 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.439 1.087 . . . . 65.4 109.304 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 33.8 m-20 -57.34 -20.8 31.2 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.484 1.115 . . . . 72.44 109.304 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.579 ' CD1' ' CE2' ' A' ' 7' ' ' PHE . 4.5 tp -71.18 -59.51 2.73 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.496 1.123 . . . . 74.14 109.269 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 17.7 mm -49.15 -44.21 16.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.551 1.157 . . . . 73.44 109.305 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 5.3 mmt -68.46 -23.76 64.63 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.512 1.133 . . . . 74.34 110.957 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -65.72 -56.5 11.71 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.479 1.112 . . . . 75.25 109.332 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 5.2 mp -65.21 -45.22 94.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.519 1.137 . . . . 74.25 109.256 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 1.2 m-80 -53.5 -21.69 6.75 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.495 1.122 . . . . 71.32 109.315 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 8.4 t -75.36 -40.4 58.18 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.52 1.137 . . . . 75.31 109.966 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 1.1 mptp? -70.06 -47.59 61.33 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.468 1.105 . . . . 73.43 109.277 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . 0.452 ' CD1' ' CD1' ' A' ' 45' ' ' ILE . 0.6 OUTLIER -78.09 -6.08 8.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.449 1.093 . . . . 75.21 109.321 179.978 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' SER . . . . . 0.431 ' C ' ' N ' ' A' ' 40' ' ' THR . 34.4 t -46.54 -25.16 0.64 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.553 1.158 . . . . 71.52 109.977 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . 0.4 ' N ' ' C ' ' A' ' 37' ' ' ILE . 5.4 t30 -40.47 -29.92 0.1 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.482 1.114 . . . . 71.25 109.332 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' THR . . . . . 0.431 ' N ' ' C ' ' A' ' 38' ' ' SER . 0.0 OUTLIER -116.81 97.48 5.99 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.499 1.124 . . . . 74.54 110.369 179.984 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 16.5 t-80 -91.54 38.66 0.98 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.461 1.101 . . . . 75.3 109.626 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 5.7 pt -103.17 -32.6 3.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.51 1.131 . . . . 72.34 109.312 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 1.7 t 177.07 93.91 0.12 Allowed Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.524 1.14 . . . . 61.24 110.009 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 -162.26 0.15 Allowed 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.482 1.78 . . . . 75.31 111.037 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . 0.458 ' CD1' ' O ' ' A' ' 45' ' ' ILE . 1.5 pp -128.68 112.36 25.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.532 1.145 . . . . 70.43 109.296 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 1.6 t -81.6 -10.71 59.36 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.488 1.117 . . . . 54.31 110.394 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 11.1 pttt -127.71 134.72 49.57 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.478 1.111 . . . . 74.33 109.305 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . 0.455 ' HB ' ' CG2' ' A' ' 83' ' ' ILE . 12.1 pt -121.08 176.1 4.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.533 1.145 . . . . 74.12 109.219 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . 0.418 ' HD3' ' CB ' ' A' ' 57' ' ' PHE . 12.9 tttt -134.48 104.82 6.26 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.516 1.135 . . . . 64.21 109.291 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' TYR . . . . . 0.557 ' CE2' ' HB3' ' A' ' 69' ' ' ALA . 8.3 p90 -99.53 146.88 25.91 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.494 1.121 . . . . 73.53 111.013 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 46.5 tt0 -67.9 136.74 54.49 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.479 1.112 . . . . 71.33 110.268 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . 0.417 ' HB2' ' CG2' ' A' ' 58' ' ' VAL . 11.0 t0 -97.81 -172.12 2.31 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.484 1.115 . . . . 63.13 109.303 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 1.2 pp20? -69.93 -35.85 74.86 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.518 1.137 . . . . 74.45 110.279 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 23.0 t0 -62.12 -15.39 45.26 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.465 1.103 . . . . 72.33 109.336 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 91.01 0.04 75.16 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.466 1.104 . . . . 72.34 111.003 -180.0 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 23.7 t0 -89.98 178.77 6.12 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.457 0.74 . . . . 65.34 109.3 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . 0.418 ' CB ' ' HD3' ' A' ' 49' ' ' LYS . 3.9 m-85 -100.69 125.2 47.1 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.499 1.124 . . . . 74.13 111.01 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . 0.491 HG22 ' CE1' ' A' ' 50' ' ' TYR . 0.2 OUTLIER -122.8 145.08 30.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.489 1.118 . . . . 74.21 109.338 179.981 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 2.8 p -74.21 141.27 16.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.477 1.111 . . . . 73.04 109.269 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.508 ' HB2' ' CD1' ' A' ' 50' ' ' TYR . 0.6 OUTLIER -130.68 109.72 10.84 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.56 1.162 . . . . 71.34 109.289 -179.999 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -148.37 23.02 1.38 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.468 1.105 . . . . 64.22 111.039 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 1.4 p -149.03 173.66 13.14 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.479 0.752 . . . . 72.12 109.965 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . 0.442 ' O ' ' N ' ' A' ' 67' ' ' ASN . 0.6 OUTLIER -71.43 -28.96 64.34 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.484 1.115 . . . . 70.44 109.306 179.995 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . 0.456 ' O ' ' CG2' ' A' ' 68' ' ' VAL . 4.1 tt0 -67.76 -38.73 83.85 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.565 1.166 . . . . 72.13 110.293 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 -85.83 -15.02 43.25 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.569 1.168 . . . . 75.11 109.318 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' TRP . . . . . 0.595 ' CZ3' ' OD1' ' A' ' 67' ' ' ASN . 5.9 t90 -93.9 -22.93 18.31 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.557 1.161 . . . . 75.4 108.016 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . 0.595 ' OD1' ' CZ3' ' A' ' 66' ' ' TRP . 52.6 m-20 -93.99 -50.06 5.49 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.471 1.107 . . . . 73.4 109.322 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . 0.456 ' CG2' ' O ' ' A' ' 64' ' ' GLU . 91.0 t -61.62 -22.36 27.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.467 1.105 . . . . 55.21 109.281 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . 0.557 ' HB3' ' CE2' ' A' ' 50' ' ' TYR . . . -75.09 -29.97 60.78 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.47 1.107 . . . . 75.33 109.273 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 6.8 mtmp? -72.7 -56.82 4.72 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.49 1.119 . . . . 75.34 109.324 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -52.54 -20.54 3.04 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.504 1.127 . . . . 74.43 110.33 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' MET . . . . . 0.411 ' HG2' ' ND2' ' A' ' 76' ' ' ASN . 13.2 ttp -75.3 -33.27 61.18 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.48 1.112 . . . . 72.31 110.983 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . 0.466 HD21 ' CD1' ' A' ' 81' ' ' LEU . 0.3 OUTLIER -55.8 -60.43 3.47 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.524 1.14 . . . . 72.42 109.296 179.996 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -53.56 -20.93 5.62 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.556 1.16 . . . . 73.23 109.306 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 43.0 mt-10 -88.21 -26.69 22.25 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.51 1.131 . . . . 75.33 110.329 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' ASN . . . . . 0.56 ' N ' HD21 ' A' ' 76' ' ' ASN . 1.0 OUTLIER -93.54 7.1 45.94 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.509 1.13 . . . . 71.53 109.308 -179.981 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 36.5 m-80 40.42 34.18 0.22 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.502 1.126 . . . . 74.14 109.293 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 9.6 pt-20 -108.86 169.66 8.53 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.47 1.106 . . . . 72.22 110.346 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 36.2 mmtt -122.81 17.8 10.22 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.505 1.128 . . . . 75.13 109.316 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 13.6 p90 -155.78 167.14 31.35 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.501 1.126 . . . . 61.32 110.988 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.466 ' CD1' HD21 ' A' ' 73' ' ' LEU . 3.6 tt -127.76 168.73 14.71 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.487 1.117 . . . . 73.34 109.318 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 2.2 t30 -131.73 140.46 49.26 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.511 1.132 . . . . 74.44 109.295 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . 0.573 HG13 ' CD2' ' A' ' 7' ' ' PHE . 19.6 mm -129.84 145.25 35.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.495 1.122 . . . . 74.51 109.325 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 53.1 ttt180 -121.98 154.79 36.74 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.496 1.122 . . . . 75.5 110.29 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . 0.425 ' N ' ' O ' ' A' ' 10' ' ' SER . 3.0 mm? -136.78 136.48 38.93 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.47 1.106 . . . . 74.25 109.318 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 2.0 t80 . . . . . 0 C--N 1.324 -0.503 0 O-C-N 124.469 1.105 . . . . 73.14 111.007 179.996 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' PRO . . . . . 0.443 ' C ' ' N ' ' A' ' 3' ' ' GLY . 18.2 Cg_endo . . . . . 0 N--CA 1.453 -0.91 0 N-CA-C 111.003 -0.422 . . . . 75.24 111.003 . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 1.3 mt 41.82 28.94 0.1 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.507 1.129 . . . . 73.13 109.28 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . 0.443 ' N ' ' C ' ' A' ' 1' ' ' PRO . . . -119.09 59.32 0.52 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.462 1.102 . . . . 71.4 111.014 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' SER . . . . . 0.411 ' CB ' HD13 ' A' ' 19' ' ' LEU . 0.8 OUTLIER -146.15 -178.83 6.34 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.466 0.745 . . . . 75.15 110.022 -179.969 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 15.1 mt -139.38 146.25 25.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.497 1.123 . . . . 73.12 109.246 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.438 ' CD1' ' N ' ' A' ' 7' ' ' PHE . 3.2 tm? -91.58 147.89 22.68 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.531 1.144 . . . . 72.15 109.284 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . 0.538 ' CD1' ' HB3' ' A' ' 81' ' ' LEU . 1.6 m-85 -127.3 118.8 24.9 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.529 1.143 . . . . 74.32 111.012 179.944 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . 0.541 ' NH1' ' CG2' ' A' ' 17' ' ' THR . 18.0 mmt180 -88.6 119.44 29.07 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.476 1.11 . . . . 74.24 110.333 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.453 HD11 ' CG1' ' A' ' 33' ' ' ILE . 4.1 mm -100.08 93.31 2.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.533 1.145 . . . . 72.3 109.268 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' SER . . . . . 0.461 ' HB3' ' CD1' ' A' ' 15' ' ' ILE . 1.6 p -89.6 115.06 26.71 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.499 1.125 . . . . 74.2 110.036 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . 0.482 ' CG ' ' N ' ' A' ' 12' ' ' ASN . 80.6 t80 -131.47 175.49 9.11 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.5 1.125 . . . . 75.51 110.979 -179.952 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . 0.482 ' N ' ' CG ' ' A' ' 11' ' ' TYR . 46.4 t30 -38.97 -29.67 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.523 1.139 . . . . 74.14 109.283 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' SER . . . . . 0.463 ' N ' ' O ' ' A' ' 11' ' ' TYR . 12.4 t -75.79 -80.48 0.09 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.44 1.088 . . . . 74.32 110.016 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -166.39 -158.78 0.34 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.497 1.123 . . . . 64.53 110.291 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.461 ' CD1' ' HB3' ' A' ' 10' ' ' SER . 2.2 mm -91.77 133.46 33.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.522 1.139 . . . . 74.32 109.326 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . 0.432 ' CB ' ' HB ' ' A' ' 9' ' ' ILE . 0.1 OUTLIER -109.7 -174.25 2.45 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.476 1.11 . . . . 73.25 111.026 -180.0 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' THR . . . . . 0.541 ' CG2' ' NH1' ' A' ' 8' ' ' ARG . 2.2 p -139.7 126.53 20.75 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.499 1.125 . . . . 65.14 110.377 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -137.86 114.94 10.85 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.53 1.144 . . . . 74.22 109.325 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.411 HD13 ' CB ' ' A' ' 4' ' ' SER . 0.2 OUTLIER -78.41 112.46 15.46 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.536 1.148 . . . . 72.53 109.273 -179.986 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 10.2 p -119.57 130.2 74.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.512 1.132 . . . . 74.54 109.272 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . 0.569 ' HB2' ' CD1' ' A' ' 24' ' ' TRP . 11.6 mt-10 -69.66 167.31 17.25 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.532 1.145 . . . . 71.24 110.296 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . 0.415 ' O ' ' NZ ' ' A' ' 70' ' ' LYS . 8.7 mtpt -87.88 12.07 14.06 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.53 1.144 . . . . 74.02 109.327 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . 0.41 ' CG1' ' HB3' ' A' ' 21' ' ' GLU . 0.2 OUTLIER -112.24 -32.92 2.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.457 1.098 . . . . 71.5 109.247 -179.976 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' TRP . . . . . 0.569 ' CD1' ' HB2' ' A' ' 21' ' ' GLU . 21.5 m0 -55.9 102.73 0.08 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.485 1.116 . . . . 75.14 108.012 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . 0.518 ' HA ' ' CE2' ' A' ' 66' ' ' TRP . 6.0 p-10 -65.25 179.68 0.71 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.528 1.142 . . . . 73.33 109.291 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . 0.627 ' CD1' ' N ' ' A' ' 27' ' ' ASP . 18.3 p90 -47.76 -43.95 27.8 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.47 1.106 . . . . 75.54 110.961 -179.959 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . 0.627 ' N ' ' CD1' ' A' ' 26' ' ' PHE . 26.9 t70 -61.29 -58.89 6.43 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.517 1.135 . . . . 74.53 109.311 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 19.8 t0 -59.45 -20.62 56.58 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.486 1.116 . . . . 73.54 109.282 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.464 HD23 ' CD2' ' A' ' 60' ' ' LEU . 1.7 tp -73.01 -59.41 2.72 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.481 1.113 . . . . 73.14 109.308 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 18.8 mm -49.55 -46.71 20.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.516 1.135 . . . . 74.04 109.282 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 3.4 mmt -62.5 -25.16 67.87 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.49 1.119 . . . . 64.14 111.018 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -63.12 -61.5 2.33 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.535 1.147 . . . . 73.23 109.284 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.453 ' CG1' HD11 ' A' ' 9' ' ' ILE . 4.4 mp -59.29 -45.2 93.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.479 1.112 . . . . 72.2 109.296 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 1.2 m-80 -52.33 -21.76 3.87 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.484 1.115 . . . . 63.52 109.299 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 5.0 t -77.81 -42.06 35.06 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.489 1.118 . . . . 70.02 110.009 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . 0.416 ' HD2' ' N ' ' A' ' 36' ' ' LYS . 2.2 mptp? -68.63 -36.47 78.67 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.543 1.152 . . . . 75.52 109.267 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . 0.458 ' CD1' HG13 ' A' ' 45' ' ' ILE . 0.6 OUTLIER -89.27 -1.54 9.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.492 1.12 . . . . 74.45 109.282 -179.99 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 38.8 t -56.2 -18.13 9.36 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.492 1.12 . . . . 71.04 109.984 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 28.2 t30 -41.39 -71.72 0.08 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.563 1.164 . . . . 72.31 109.313 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' THR . . . . . 0.428 ' OG1' ' CG1' ' A' ' 42' ' ' ILE . 2.9 t -57.62 -55.83 29.76 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.501 1.126 . . . . 74.1 110.454 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' HIS . . . . . 0.539 ' CG ' ' O ' ' A' ' 41' ' ' HIS . 48.8 t60 63.31 37.93 10.64 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.527 1.142 . . . . 73.25 109.62 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . 0.458 HD11 ' CB ' ' A' ' 43' ' ' SER . 1.8 pp -119.46 -42.1 2.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.54 1.15 . . . . 73.45 109.271 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' SER . . . . . 0.458 ' CB ' HD11 ' A' ' 42' ' ' ILE . 4.5 t -150.85 95.2 3.46 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.532 1.145 . . . . 74.35 109.988 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -162.28 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.492 1.785 . . . . 74.53 110.99 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . 0.473 HG12 ' CD2' ' A' ' 85' ' ' LEU . 1.3 pp -144.83 110.8 1.21 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.525 1.141 . . . . 74.03 109.263 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 11.0 p -86.21 -14.23 44.54 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.507 1.13 . . . . 73.21 110.424 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 1.3 mmmm -113.4 122.15 46.49 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.471 1.107 . . . . 73.42 109.339 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 3.7 pt -125.43 169.09 17.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.519 1.137 . . . . 74.22 109.276 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 26.9 mttp -128.13 107.42 9.79 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.508 1.13 . . . . 74.2 109.307 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' TYR . . . . . 0.542 ' CE2' ' HB2' ' A' ' 69' ' ' ALA . 10.6 p90 -97.46 148.86 22.78 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.512 1.133 . . . . 72.52 111.031 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 50.5 tt0 -77.13 147.57 36.5 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.533 1.145 . . . . 73.41 110.297 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -110.82 -172.84 2.11 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.498 1.124 . . . . 71.11 109.28 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . 0.485 ' CB ' ' OD1' ' A' ' 76' ' ' ASN . 2.0 pp20? -66.6 -31.73 72.6 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.496 1.122 . . . . 73.22 110.272 -179.952 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 5.5 t0 -89.18 14.41 10.94 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.534 1.146 . . . . 74.43 109.332 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 56.52 16.83 17.34 Favored Glycine 0 CA--C 1.531 1.066 0 O-C-N 124.514 1.134 . . . . 75.55 110.976 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 24.4 m-20 -88.87 105.99 18.1 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.511 0.771 . . . . 64.01 109.273 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . 0.432 ' CD1' ' O ' ' A' ' 57' ' ' PHE . 17.2 p90 -50.05 119.19 3.41 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.513 1.133 . . . . 71.32 111.051 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . 0.487 HG23 ' CE1' ' A' ' 50' ' ' TYR . 0.1 OUTLIER -122.75 149.18 26.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.482 1.114 . . . . 74.23 109.31 -179.963 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 7.2 p -74.77 146.85 9.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.53 1.144 . . . . 72.15 109.318 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.5 ' HB2' ' CD1' ' A' ' 50' ' ' TYR . 0.3 OUTLIER -136.35 125.21 24.09 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.475 1.11 . . . . 74.12 109.272 -179.983 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . 0.482 ' N ' ' CD1' ' A' ' 60' ' ' LEU . . . -165.22 29.17 0.21 Allowed Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.51 1.131 . . . . 62.3 111.025 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 75.6 m -158.4 -179.47 8.12 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.513 0.772 . . . . 75.32 110.003 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . 0.572 ' OD1' ' CE3' ' A' ' 66' ' ' TRP . 8.1 t70 -77.45 -29.62 52.92 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.471 1.107 . . . . 64.52 109.292 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . 0.497 ' O ' ' CG2' ' A' ' 68' ' ' VAL . 8.7 pt-20 -67.33 -38.66 85.25 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.546 1.154 . . . . 74.34 110.314 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . 0.42 ' CB ' HD13 ' A' ' 60' ' ' LEU . 10.2 m-20 -84.85 -14.48 47.81 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.512 1.133 . . . . 74.2 109.309 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' TRP . . . . . 0.594 ' CZ3' ' OD1' ' A' ' 67' ' ' ASN . 5.3 t90 -94.26 -23.44 17.86 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.518 1.136 . . . . 64.13 107.995 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . 0.594 ' OD1' ' CZ3' ' A' ' 66' ' ' TRP . 34.7 m-20 -93.2 -51.7 4.89 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.497 1.123 . . . . 71.33 109.262 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . 0.497 ' CG2' ' O ' ' A' ' 64' ' ' GLU . 61.3 t -61.98 -15.09 13.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.131 . . . . 63.41 109.326 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . 0.542 ' HB2' ' CE2' ' A' ' 50' ' ' TYR . . . -89.32 -42.52 11.53 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.485 1.116 . . . . 73.42 109.271 -179.959 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . 0.415 ' NZ ' ' O ' ' A' ' 22' ' ' LYS . 9.3 mtmt -69.85 -59.44 2.93 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.48 1.113 . . . . 74.41 109.284 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 37.4 mt-10 -46.54 -25.88 0.77 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.519 1.137 . . . . 74.14 110.366 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' MET . . . . . 0.447 ' CG ' ' HB3' ' A' ' 53' ' ' GLU . 11.7 tpp -73.79 -41.6 62.15 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.501 1.126 . . . . 71.34 110.988 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . 0.458 HD21 ' CD2' ' A' ' 81' ' ' LEU . 5.9 mt -47.27 -45.16 23.7 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.524 1.14 . . . . 74.34 109.309 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -57.24 -35.12 69.32 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.473 1.108 . . . . 73.12 109.309 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . 0.429 ' N ' ' O ' ' A' ' 72' ' ' MET . 6.0 mm-40 -81.82 -26.04 34.67 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.484 1.115 . . . . 71.33 110.292 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' ASN . . . . . 0.485 ' OD1' ' CB ' ' A' ' 53' ' ' GLU . 81.6 m-20 -83.55 -11.95 56.75 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.481 1.113 . . . . 74.12 109.346 179.949 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 2.8 m-80 60.55 34.65 20.27 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.47 1.106 . . . . 72.0 109.291 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . 0.454 ' HB2' ' CD1' ' A' ' 80' ' ' PHE . 8.9 pt-20 -123.46 147.4 47.21 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.496 1.122 . . . . 75.33 110.293 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 6.0 mmpt? -111.72 35.36 3.7 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.473 1.108 . . . . 73.23 109.305 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' PHE . . . . . 0.454 ' CD1' ' HB2' ' A' ' 78' ' ' GLU . 9.1 p90 -147.37 176.81 9.72 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.519 1.137 . . . . 75.25 111.03 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.538 ' HB3' ' CD1' ' A' ' 7' ' ' PHE . 0.5 OUTLIER -142.37 159.62 41.87 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.489 1.118 . . . . 64.34 109.287 -179.973 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' ASN . . . . . 0.439 ' C ' ' ND2' ' A' ' 82' ' ' ASN . 1.0 OUTLIER -133.44 109.58 9.4 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.462 1.102 . . . . 74.02 109.297 179.98 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . 0.533 HG13 ' CD2' ' A' ' 7' ' ' PHE . 27.6 mm -104.71 156.06 6.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.52 1.138 . . . . 74.11 109.322 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 14.2 ttp85 -122.32 150.25 42.64 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.496 1.122 . . . . 75.33 110.316 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . 0.473 ' CD2' HG12 ' A' ' 45' ' ' ILE . 7.6 tp -140.52 123.84 16.81 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.529 1.143 . . . . 75.12 109.264 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 19.6 p90 . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.435 1.084 . . . . 65.44 111.034 179.942 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 N--CA 1.452 -0.915 0 N-CA-C 111.04 -0.408 . . . . 63.41 111.04 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -93.24 151.09 20.03 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.484 1.115 . . . . 75.1 109.297 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . 0.429 ' CA ' ' HD2' ' A' ' 22' ' ' LYS . . . 100.6 70.39 0.91 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.497 1.123 . . . . 61.52 110.961 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -133.77 153.78 51.47 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.456 0.739 . . . . 72.13 110.0 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . 0.515 ' CD1' ' NZ ' ' A' ' 22' ' ' LYS . 10.6 mt -129.55 148.75 33.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.538 1.149 . . . . 75.34 109.296 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.413 ' C ' ' CD1' ' A' ' 6' ' ' LEU . 0.8 OUTLIER -102.18 147.28 26.82 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.48 1.113 . . . . 74.35 109.3 179.967 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . 0.568 ' CD1' ' CG1' ' A' ' 20' ' ' VAL . 2.3 m-85 -127.6 122.83 34.18 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.5 1.125 . . . . 73.2 111.027 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . 0.402 ' O ' ' O ' ' A' ' 83' ' ' ILE . 11.3 mtm180 -103.52 90.05 3.55 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.478 1.111 . . . . 70.35 110.252 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 4.3 mp -66.17 147.96 12.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.505 1.128 . . . . 72.25 109.305 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' SER . . . . . 0.495 ' OG ' ' CG2' ' A' ' 15' ' ' ILE . 11.3 m -151.17 111.52 4.16 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.465 1.103 . . . . 73.01 110.001 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . 0.555 ' CG ' ' N ' ' A' ' 12' ' ' ASN . 58.1 t80 -133.51 173.97 10.92 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.452 1.095 . . . . 73.44 111.027 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . 0.555 ' N ' ' CG ' ' A' ' 11' ' ' TYR . 32.0 t30 -38.91 -29.32 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.519 1.137 . . . . 62.14 109.304 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' SER . . . . . 0.5 ' O ' ' CG ' ' A' ' 14' ' ' GLU . 11.7 t -68.16 -83.33 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.491 1.119 . . . . 74.34 109.937 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . 0.5 ' CG ' ' O ' ' A' ' 13' ' ' SER . 24.3 mt-10 -161.54 -173.56 3.83 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.532 1.145 . . . . 70.12 110.3 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.55 ' N ' ' CD1' ' A' ' 15' ' ' ILE . 1.5 mp -103.66 118.37 50.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.503 1.127 . . . . 75.02 109.327 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 22.0 m-85 -120.46 178.62 4.6 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.543 1.152 . . . . 72.04 111.011 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 26.4 p -125.46 153.59 43.29 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.502 1.126 . . . . 65.43 110.4 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.433 ' CD1' ' HD3' ' A' ' 36' ' ' LYS . 4.5 tt -155.76 127.44 7.36 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.495 1.122 . . . . 72.3 109.307 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.49 ' CD1' ' C ' ' A' ' 19' ' ' LEU . 0.2 OUTLIER -86.01 115.93 23.91 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.487 1.117 . . . . 74.41 109.287 179.989 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.568 ' CG1' ' CD1' ' A' ' 7' ' ' PHE . 2.9 p -116.72 115.58 49.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.491 1.12 . . . . 72.52 109.285 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . 0.486 ' HB2' ' CD1' ' A' ' 24' ' ' TRP . 10.6 mm-40 -58.72 169.53 0.95 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.488 1.118 . . . . 74.4 110.307 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . 0.515 ' NZ ' ' CD1' ' A' ' 5' ' ' ILE . 40.8 mttm -87.58 11.33 15.25 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.498 1.124 . . . . 75.54 109.287 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -112.15 -15.26 10.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.496 1.122 . . . . 74.12 109.332 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' TRP . . . . . 0.486 ' CD1' ' HB2' ' A' ' 21' ' ' GLU . 21.3 m0 -75.94 87.21 2.89 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.514 1.134 . . . . 72.32 108.024 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . 0.413 ' OD1' ' N ' ' A' ' 25' ' ' ASN . 6.9 p-10 -52.3 -179.82 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.505 1.128 . . . . 74.41 109.356 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . 0.524 ' CD1' ' N ' ' A' ' 27' ' ' ASP . 33.0 p90 -48.07 -39.65 20.8 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.48 1.112 . . . . 72.34 110.984 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . 0.524 ' N ' ' CD1' ' A' ' 26' ' ' PHE . 15.6 t70 -63.39 -63.68 1.12 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.485 1.116 . . . . 72.22 109.317 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . 0.467 ' HB2' ' CA ' ' A' ' 24' ' ' TRP . 8.0 m-20 -53.86 -24.37 15.63 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.53 1.144 . . . . 73.33 109.316 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.547 HD11 ' CE2' ' A' ' 7' ' ' PHE . 2.2 tp -69.06 -51.32 40.05 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.511 1.132 . . . . 71.33 109.242 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 28.0 mm -64.67 -40.17 88.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.542 1.151 . . . . 75.14 109.303 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 11.2 mmt -66.4 -24.86 66.54 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.537 1.148 . . . . 74.43 110.979 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -69.58 -64.06 0.95 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.453 1.095 . . . . 75.14 109.266 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 3.8 mp -58.51 -34.9 52.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.531 1.145 . . . . 75.33 109.293 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . 0.4 ' ND2' HD11 ' A' ' 45' ' ' ILE . 0.9 OUTLIER -60.28 -20.26 58.34 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.524 1.14 . . . . 74.24 109.291 179.993 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 11.7 t -82.49 -47.04 12.65 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.462 1.102 . . . . 61.22 109.967 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . 0.433 ' HD3' ' CD1' ' A' ' 18' ' ' LEU . 0.6 OUTLIER -63.54 -36.88 85.24 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.53 1.144 . . . . 72.2 109.26 -179.947 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . 0.437 ' C ' ' N ' ' A' ' 39' ' ' ASN . 1.4 pt -84.57 -13.18 11.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.547 1.154 . . . . 75.24 109.309 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 17.8 t -39.3 -30.01 0.05 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.482 1.114 . . . . 74.3 109.997 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . 0.437 ' N ' ' C ' ' A' ' 37' ' ' ILE . 1.3 t30 -41.88 -50.47 4.45 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.502 1.126 . . . . 62.31 109.301 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 16.8 p -73.91 131.81 41.84 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.499 1.125 . . . . 73.13 110.39 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -105.99 18.91 21.36 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.543 1.152 . . . . 71.42 109.589 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . 0.494 ' O ' ' CB ' ' A' ' 43' ' ' SER . 6.0 pt -84.88 -41.5 15.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.483 1.115 . . . . 74.01 109.309 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' SER . . . . . 0.494 ' CB ' ' O ' ' A' ' 42' ' ' ILE . 2.2 p 159.84 141.25 0.01 OUTLIER Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.549 1.156 . . . . 73.14 109.97 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -162.18 0.14 Allowed 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.507 1.793 . . . . 75.3 110.992 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . 0.434 HG13 ' CD1' ' A' ' 37' ' ' ILE . 1.4 pp -139.8 134.37 37.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.439 1.087 . . . . 72.33 109.289 -179.956 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 9.9 t -94.47 -41.98 9.09 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.5 1.125 . . . . 73.14 110.421 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 3.6 ptpp? -89.12 135.48 33.54 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.503 1.127 . . . . 71.14 109.287 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . 0.434 ' O ' ' N ' ' A' ' 60' ' ' LEU . 17.6 pt -133.46 131.72 57.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.488 1.117 . . . . 72.44 109.324 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 4.8 mmtp -88.98 110.21 20.93 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.44 1.087 . . . . 74.25 109.276 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' TYR . . . . . 0.607 ' CE2' ' CB ' ' A' ' 69' ' ' ALA . 6.5 p90 -108.3 143.34 37.31 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.476 1.11 . . . . 75.43 111.024 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 24.7 tt0 -76.13 148.28 37.95 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.494 1.121 . . . . 72.31 110.32 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 30.3 p30 -120.12 -173.35 2.54 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.507 1.129 . . . . 74.44 109.296 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 16.2 pt-20 -58.53 -49.11 78.58 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.474 1.109 . . . . 75.23 110.285 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 25.1 t0 -49.77 -23.63 1.93 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.469 1.105 . . . . 75.31 109.349 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 91.46 13.09 58.9 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.457 1.098 . . . . 72.41 110.977 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 81.1 m-20 -103.24 160.74 14.41 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.51 0.77 . . . . 73.41 109.261 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 2.5 m-85 -96.29 117.21 30.35 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.502 1.126 . . . . 74.31 110.996 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . 0.543 HG22 ' CE1' ' A' ' 50' ' ' TYR . 0.4 OUTLIER -117.56 142.88 29.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.509 1.131 . . . . 73.35 109.324 -179.984 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 26.6 t -57.56 152.14 3.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 O-C-N 124.528 1.142 . . . . 75.5 109.303 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.545 ' HB2' ' CD1' ' A' ' 50' ' ' TYR . 0.6 OUTLIER -149.23 118.8 6.95 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.502 1.126 . . . . 74.3 109.309 179.986 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -156.86 27.99 0.53 Allowed Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.53 1.144 . . . . 62.41 110.976 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 52.4 m -147.68 168.78 21.19 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.537 0.787 . . . . 74.35 110.017 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -74.26 -30.03 61.94 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.501 1.126 . . . . 73.43 109.309 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . 0.481 ' O ' ' CG2' ' A' ' 68' ' ' VAL . 7.1 tt0 -77.02 -16.26 59.35 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.504 1.127 . . . . 74.4 110.327 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 34.6 m-20 -102.27 -18.35 15.5 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.469 1.106 . . . . 73.31 109.263 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' TRP . . . . . 0.598 ' O ' ' CE3' ' A' ' 66' ' ' TRP . 3.5 t-105 -96.07 -23.79 16.63 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.514 1.134 . . . . 75.13 107.994 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 6.2 t30 -88.54 -47.7 8.12 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.511 1.132 . . . . 71.23 109.297 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . 0.481 ' CG2' ' O ' ' A' ' 64' ' ' GLU . 55.6 t -60.94 -28.3 43.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.476 1.11 . . . . 74.51 109.282 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . 0.607 ' CB ' ' CE2' ' A' ' 50' ' ' TYR . . . -77.62 -32.93 53.77 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.47 1.106 . . . . 72.43 109.279 -179.946 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . 0.557 ' HD3' ' CH2' ' A' ' 66' ' ' TRP . 3.4 mtmp? -70.9 -57.56 4.47 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.512 1.132 . . . . 74.22 109.314 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -48.99 -23.15 1.03 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.522 1.139 . . . . 73.45 110.263 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' MET . . . . . 0.426 ' O ' ' N ' ' A' ' 75' ' ' GLU . 6.0 ttm -76.62 -38.63 54.38 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.547 1.154 . . . . 64.22 110.991 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . 0.46 HD22 ' CG ' ' A' ' 78' ' ' GLU . 14.0 mt -47.24 -52.59 15.6 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.542 1.152 . . . . 74.42 109.314 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -54.2 -29.71 47.1 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.506 1.129 . . . . 70.11 109.318 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . 0.426 ' N ' ' O ' ' A' ' 72' ' ' MET . 59.3 mt-10 -83.52 -27.98 28.98 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.454 1.096 . . . . 74.52 110.27 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' ASN . . . . . 0.403 ' CB ' ' CD ' ' A' ' 78' ' ' GLU . 75.3 m-20 -89.1 13.56 12.8 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.526 1.141 . . . . 72.33 109.295 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . 0.403 ' C ' ' O ' ' A' ' 76' ' ' ASN . 39.8 m-80 40.44 32.89 0.15 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.518 1.136 . . . . 75.11 109.305 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . 0.479 ' HB2' ' CE2' ' A' ' 80' ' ' PHE . 6.2 pt-20 -128.19 121.28 29.06 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.484 1.115 . . . . 72.33 110.287 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 1.4 tppp? -87.53 5.08 40.97 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.544 1.153 . . . . 72.22 109.265 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' PHE . . . . . 0.479 ' CE2' ' HB2' ' A' ' 78' ' ' GLU . 10.6 p90 -114.27 155.43 26.18 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.509 1.131 . . . . 74.21 111.013 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.468 ' CD2' HD13 ' A' ' 83' ' ' ILE . 2.7 tt -127.61 165.82 19.24 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.499 1.125 . . . . 75.02 109.307 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' ASN . . . . . 0.402 ' ND2' ' C ' ' A' ' 82' ' ' ASN . 1.3 t30 -136.69 136.81 39.37 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.447 1.092 . . . . 75.22 109.273 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . 0.552 HG13 ' CD2' ' A' ' 7' ' ' PHE . 47.6 mm -133.37 145.22 34.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.529 1.143 . . . . 71.14 109.311 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . 0.484 ' CG ' ' O ' ' A' ' 84' ' ' ARG . 0.6 OUTLIER -139.65 123.66 17.73 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.559 1.162 . . . . 73.53 110.309 179.978 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . 0.448 ' N ' ' O ' ' A' ' 10' ' ' SER . 3.5 mm? -98.78 149.81 22.49 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.511 1.132 . . . . 72.43 109.341 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 7.8 t80 . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.496 1.122 . . . . 73.5 111.0 -179.971 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 N--CA 1.453 -0.884 0 N-CA-C 110.969 -0.435 . . . . 72.01 110.969 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 10.7 mt -89.98 -175.1 4.48 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.521 1.138 . . . . 71.31 109.345 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 49.87 42.53 38.1 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.517 1.136 . . . . 54.22 111.002 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -135.91 161.32 35.97 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.505 0.767 . . . . 73.21 110.036 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 32.4 mt -138.59 143.19 32.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.487 1.117 . . . . 71.31 109.292 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.474 ' CD1' ' N ' ' A' ' 7' ' ' PHE . 2.9 tm? -96.66 148.19 23.12 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 73.12 109.286 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . 0.488 ' CD2' HG13 ' A' ' 83' ' ' ILE . 1.5 m-85 -124.73 120.79 32.8 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.533 1.145 . . . . 74.45 111.037 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 9.1 mtt180 -89.08 114.28 25.5 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.49 1.118 . . . . 75.53 110.318 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.469 HD13 ' CG1' ' A' ' 33' ' ' ILE . 4.1 mm -95.25 103.08 14.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.453 1.096 . . . . 75.31 109.295 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' SER . . . . . 0.449 ' HB2' ' CD1' ' A' ' 15' ' ' ILE . 2.3 t -97.17 117.83 32.25 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.533 1.146 . . . . 75.02 110.035 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . 0.457 ' C ' ' N ' ' A' ' 13' ' ' SER . 47.1 t80 -132.18 178.7 6.6 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.492 1.12 . . . . 74.2 111.002 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . 0.449 ' N ' ' CD2' ' A' ' 11' ' ' TYR . 4.3 m120 -39.64 -29.36 0.06 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.538 1.149 . . . . 62.41 109.311 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' SER . . . . . 0.457 ' N ' ' C ' ' A' ' 11' ' ' TYR . 5.2 t -78.84 -92.34 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.486 1.116 . . . . 73.11 109.988 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 24.7 mt-10 -155.55 -174.36 4.93 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.54 1.15 . . . . 70.15 110.272 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.449 ' CD1' ' HB2' ' A' ' 10' ' ' SER . 1.8 mm -73.95 132.57 33.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.498 1.124 . . . . 75.12 109.329 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . 0.443 ' CB ' ' HB ' ' A' ' 9' ' ' ILE . 0.0 OUTLIER -107.36 -171.65 1.92 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.51 1.131 . . . . 74.33 111.01 -179.964 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 2.1 p -139.15 129.78 25.94 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.503 1.127 . . . . 73.34 110.39 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -142.96 109.25 5.3 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.527 1.142 . . . . 73.14 109.312 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -73.54 115.36 12.84 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.488 1.117 . . . . 73.23 109.313 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.43 HG11 ' CD1' ' A' ' 7' ' ' PHE . 15.0 p -123.49 121.3 62.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.516 1.135 . . . . 72.24 109.312 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . 0.567 ' HB2' ' CD1' ' A' ' 24' ' ' TRP . 71.2 mt-10 -62.19 168.62 3.25 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.493 1.121 . . . . 73.42 110.304 179.942 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 10.3 mtpt -89.69 15.48 9.54 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.507 1.129 . . . . 71.44 109.323 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -115.02 -37.16 2.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.468 1.105 . . . . 71.21 109.281 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' TRP . . . . . 0.567 ' CD1' ' HB2' ' A' ' 21' ' ' GLU . 17.3 m0 -51.58 105.87 0.12 Allowed 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 107.99 -1.115 . . . . 73.33 107.99 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 19.4 p-10 -61.78 -179.79 0.21 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.527 1.142 . . . . 74.11 109.311 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . 0.4 ' CG ' ' N ' ' A' ' 27' ' ' ASP . 49.6 p90 -54.58 -38.78 67.12 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.499 1.124 . . . . 75.2 111.002 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . 0.4 ' N ' ' CG ' ' A' ' 26' ' ' PHE . 12.4 t0 -59.73 -64.73 0.84 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.548 1.155 . . . . 71.03 109.311 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 78.1 m-20 -54.1 -27.07 30.61 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.537 1.148 . . . . 72.3 109.321 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.456 ' CD1' HD12 ' A' ' 33' ' ' ILE . 1.3 tp -66.06 -60.96 2.32 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.525 1.141 . . . . 75.24 109.309 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 22.2 mm -51.28 -34.16 14.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.471 1.107 . . . . 62.22 109.318 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 11.1 mmt -80.32 -24.44 39.91 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.51 1.131 . . . . 73.03 111.012 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -67.95 -41.78 81.95 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.476 1.11 . . . . 73.02 109.284 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.469 ' CG1' HD13 ' A' ' 9' ' ' ILE . 2.0 mp -77.64 -41.35 28.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.507 1.129 . . . . 71.43 109.287 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 1.5 m-80 -64.31 -12.94 46.83 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.509 1.131 . . . . 75.55 109.285 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 35.7 t -90.53 -29.82 17.64 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.533 1.146 . . . . 73.42 110.007 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . 0.403 ' N ' ' HD2' ' A' ' 36' ' ' LYS . 9.3 mptt -83.31 -35.88 24.89 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.524 1.14 . . . . 63.14 109.307 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . 0.5 ' CD1' ' CD1' ' A' ' 45' ' ' ILE . 0.9 OUTLIER -86.05 -12.61 11.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.555 1.159 . . . . 75.22 109.286 180.0 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' SER . . . . . 0.44 ' C ' ' N ' ' A' ' 40' ' ' THR . 0.8 OUTLIER -59.05 -16.15 17.31 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.469 1.105 . . . . 72.32 110.004 179.955 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 6.9 p-10 -40.44 -30.09 0.1 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.504 1.127 . . . . 71.45 109.285 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' THR . . . . . 0.44 ' N ' ' C ' ' A' ' 38' ' ' SER . 69.1 p -86.32 -54.17 4.59 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.469 1.105 . . . . 72.55 110.418 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 14.9 t60 66.03 46.4 2.18 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.497 1.123 . . . . 73.42 109.545 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . 0.41 HG13 ' N ' ' A' ' 43' ' ' SER . 24.5 pt -127.42 -45.26 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.457 1.098 . . . . 73.15 109.285 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' SER . . . . . 0.41 ' N ' HG13 ' A' ' 42' ' ' ILE . 7.4 t -168.1 93.95 0.62 Allowed Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.52 1.137 . . . . 73.4 110.023 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -162.14 0.14 Allowed 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.488 1.783 . . . . 73.5 111.011 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . 0.5 ' CD1' ' CD1' ' A' ' 37' ' ' ILE . 1.4 pp -132.09 104.93 8.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.521 1.138 . . . . 73.45 109.306 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 24.9 p -69.05 -14.12 62.84 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.466 1.104 . . . . 75.42 110.38 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 24.0 mtpp -123.25 132.95 54.21 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.492 1.12 . . . . 72.02 109.288 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 20.2 pt -122.85 160.06 25.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.474 1.109 . . . . 74.45 109.3 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 21.8 tttp -122.54 109.64 14.58 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.503 1.127 . . . . 72.51 109.286 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' TYR . . . . . 0.53 ' CE1' HG23 ' A' ' 58' ' ' VAL . 9.7 p90 -100.65 149.0 24.22 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.447 1.092 . . . . 74.22 111.009 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . 0.478 ' O ' ' CD2' ' A' ' 50' ' ' TYR . 44.5 tt0 -66.75 152.74 44.91 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.542 1.151 . . . . 70.34 110.3 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 16.1 t0 -114.05 -174.59 2.5 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.505 1.128 . . . . 72.11 109.323 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . 0.43 ' N ' ' SD ' ' A' ' 72' ' ' MET . 4.6 pt-20 -75.61 -19.6 59.12 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.514 1.134 . . . . 75.23 110.282 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -87.23 10.56 16.6 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.481 1.113 . . . . 75.01 109.27 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 65.04 12.7 55.78 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.541 1.15 . . . . 63.44 111.0 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -103.42 153.05 20.91 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.49 0.759 . . . . 75.13 109.313 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 5.1 m-85 -79.65 135.51 36.58 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.492 1.12 . . . . 74.24 111.049 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . 0.53 HG23 ' CE1' ' A' ' 50' ' ' TYR . 0.2 OUTLIER -134.48 144.27 35.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.522 1.139 . . . . 73.3 109.329 -180.0 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 48.8 t -66.73 163.84 2.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.495 1.122 . . . . 74.52 109.338 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.45 ' HB2' ' CD1' ' A' ' 50' ' ' TYR . 0.3 OUTLIER -156.55 115.17 3.36 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.492 1.12 . . . . 73.23 109.311 -179.951 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -152.57 21.3 0.82 Allowed Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.485 1.115 . . . . 63.11 110.997 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 22.8 m -153.35 -176.41 5.79 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.532 0.784 . . . . 60.14 110.01 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 10.7 t0 -80.27 -26.5 38.91 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.529 1.143 . . . . 75.4 109.279 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . 0.491 ' O ' ' CG2' ' A' ' 68' ' ' VAL . 6.9 pt-20 -70.52 -14.64 62.6 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.536 1.147 . . . . 64.02 110.281 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -112.22 -14.86 13.31 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.498 1.124 . . . . 61.42 109.291 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' TRP . . . . . 0.518 ' CE2' ' HD3' ' A' ' 70' ' ' LYS . 0.1 OUTLIER -94.37 -23.3 17.84 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.503 1.127 . . . . 73.34 107.99 -179.996 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 8.1 t30 -95.99 -34.87 11.61 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.52 1.138 . . . . 74.42 109.279 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . 0.491 ' CG2' ' O ' ' A' ' 64' ' ' GLU . 4.2 t -66.55 -22.68 30.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.556 1.16 . . . . 73.24 109.322 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . 0.491 ' HB2' ' CE2' ' A' ' 50' ' ' TYR . . . -90.3 -44.05 9.96 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.481 1.113 . . . . 72.44 109.311 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . 0.518 ' HD3' ' CE2' ' A' ' 66' ' ' TRP . 14.8 mtpp -60.45 -41.52 94.27 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.482 1.114 . . . . 73.02 109.292 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 47.7 mm-40 -70.45 -22.81 62.66 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.49 1.119 . . . . 74.02 110.3 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' MET . . . . . 0.43 ' SD ' ' N ' ' A' ' 53' ' ' GLU . 9.7 ttp -76.59 -29.09 56.42 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.51 1.131 . . . . 71.11 110.972 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 4.6 mt -62.29 -38.73 90.5 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.494 1.121 . . . . 61.31 109.33 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -65.19 -29.46 70.28 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.516 1.135 . . . . 74.43 109.312 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 64.9 mt-10 -84.82 -26.72 27.27 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.461 1.101 . . . . 71.44 110.314 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' ASN . . . . . 0.503 ' N ' HD21 ' A' ' 76' ' ' ASN . 1.5 m-80 -90.79 -12.13 37.35 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.514 1.134 . . . . 71.3 109.33 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 33.1 m-80 62.01 43.43 9.01 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.56 1.163 . . . . 71.04 109.307 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 13.9 pt-20 -121.23 163.97 17.68 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.503 1.127 . . . . 75.22 110.29 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . 0.637 ' H ' ' NZ ' ' A' ' 79' ' ' LYS . 0.0 OUTLIER -121.02 -1.66 9.81 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.467 1.104 . . . . 75.34 109.301 -179.977 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 32.4 p90 -122.11 173.72 7.39 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.495 1.122 . . . . 72.22 111.045 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.472 ' CD2' HD11 ' A' ' 83' ' ' ILE . 0.7 OUTLIER -134.09 173.76 11.23 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.509 1.131 . . . . 72.13 109.318 179.999 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' ASN . . . . . 0.435 ' ND2' ' O ' ' A' ' 82' ' ' ASN . 1.5 t30 -135.34 105.78 6.41 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.526 1.141 . . . . 75.52 109.305 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . 0.488 HG13 ' CD2' ' A' ' 7' ' ' PHE . 23.7 mm -104.86 146.68 11.76 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.515 1.135 . . . . 74.2 109.289 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 15.8 ttm-85 -118.92 140.11 50.53 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.498 1.124 . . . . 73.41 110.274 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . 0.471 HD13 ' CD1' ' A' ' 45' ' ' ILE . 2.9 mm? -137.28 116.65 12.73 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.536 1.147 . . . . 72.33 109.32 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 7.8 t80 . . . . . 0 C--N 1.325 -0.489 0 O-C-N 124.531 1.144 . . . . 74.12 110.955 -179.962 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' PRO . . . . . 0.501 ' O ' ' CD1' ' A' ' 2' ' ' LEU . 18.3 Cg_endo . . . . . 0 N--CA 1.453 -0.86 0 N-CA-C 111.007 -0.42 . . . . 75.2 111.007 . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . 0.501 ' CD1' ' O ' ' A' ' 1' ' ' PRO . 0.5 OUTLIER 40.03 30.02 0.06 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.542 1.151 . . . . 75.51 109.313 179.954 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . 0.443 ' N ' ' C ' ' A' ' 1' ' ' PRO . . . -116.12 41.0 2.24 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.488 1.117 . . . . 71.3 110.981 -179.957 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -137.94 151.25 47.78 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.505 0.767 . . . . 72.14 109.971 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . 0.439 HG13 ' CE ' ' A' ' 22' ' ' LYS . 71.0 mt -134.13 155.91 40.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.503 1.127 . . . . 73.24 109.282 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -102.63 154.96 18.63 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.481 1.113 . . . . 75.44 109.328 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . 0.537 ' CD2' HG13 ' A' ' 83' ' ' ILE . 0.3 OUTLIER -142.37 107.59 4.98 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.537 1.148 . . . . 73.4 111.028 179.98 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 17.2 mtp180 -88.41 120.92 30.24 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.502 1.126 . . . . 74.25 110.318 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 3.8 mp -101.3 94.34 3.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.556 1.16 . . . . 73.52 109.286 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' SER . . . . . 0.5 ' OG ' ' CG2' ' A' ' 15' ' ' ILE . 19.1 m -98.39 122.09 41.14 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.506 1.129 . . . . 75.54 109.963 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . 0.551 ' CG ' ' N ' ' A' ' 12' ' ' ASN . 59.9 t80 -135.84 174.42 10.64 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.552 1.157 . . . . 73.23 111.002 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . 0.551 ' N ' ' CG ' ' A' ' 11' ' ' TYR . 53.7 t-20 -38.46 -29.81 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.523 1.139 . . . . 60.42 109.297 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' SER . . . . . 0.482 ' N ' ' O ' ' A' ' 11' ' ' TYR . 25.4 m -69.81 -89.76 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.47 1.106 . . . . 64.44 109.983 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 25.4 mt-10 -150.03 -170.06 3.54 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.562 1.164 . . . . 72.44 110.293 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.578 ' N ' ' CD1' ' A' ' 15' ' ' ILE . 1.4 mp -106.79 122.68 61.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.474 1.109 . . . . 72.44 109.319 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 24.6 m-85 -119.41 -176.91 3.24 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.589 1.18 . . . . 75.22 111.03 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 3.1 p -130.29 154.98 47.06 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.509 1.13 . . . . 73.51 110.388 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.438 HD11 ' CB ' ' A' ' 32' ' ' ALA . 2.9 tm? -154.29 105.79 2.72 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.527 1.142 . . . . 73.54 109.265 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.496 ' CD1' ' C ' ' A' ' 19' ' ' LEU . 0.2 OUTLIER -71.89 105.96 4.03 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.473 1.108 . . . . 73.52 109.352 179.951 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.467 HG11 ' CD1' ' A' ' 7' ' ' PHE . 13.3 p -107.5 124.04 63.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.531 1.144 . . . . 74.15 109.271 -179.95 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . 0.558 ' HB2' ' CD1' ' A' ' 24' ' ' TRP . 21.4 mt-10 -61.86 168.92 2.81 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.47 1.106 . . . . 72.24 110.299 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . 0.439 ' CE ' HG13 ' A' ' 5' ' ' ILE . 70.4 mttt -87.79 11.94 14.19 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.468 1.105 . . . . 73.34 109.289 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . 0.43 ' O ' ' N ' ' A' ' 25' ' ' ASN . 0.2 OUTLIER -111.85 -32.25 2.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.473 1.108 . . . . 64.12 109.345 179.996 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' TRP . . . . . 0.558 ' CD1' ' HB2' ' A' ' 21' ' ' GLU . 16.2 m0 -58.87 89.17 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.522 1.139 . . . . 75.34 108.016 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . 0.519 ' HA ' ' CE2' ' A' ' 66' ' ' TRP . 10.7 p-10 -52.86 177.47 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.485 1.115 . . . . 70.25 109.347 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . 0.469 ' CG ' ' N ' ' A' ' 27' ' ' ASP . 10.5 p90 -46.83 -38.13 9.78 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.502 1.126 . . . . 74.24 110.954 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . 0.469 ' N ' ' CG ' ' A' ' 26' ' ' PHE . 2.6 t0 -61.21 -71.69 0.14 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.509 1.131 . . . . 70.45 109.274 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -47.39 -29.61 2.74 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.477 1.111 . . . . 72.34 109.293 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.498 ' CD1' ' CE2' ' A' ' 7' ' ' PHE . 1.7 tp -61.11 -55.26 34.51 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.459 1.1 . . . . 74.12 109.309 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . 0.461 ' CD1' HG13 ' A' ' 48' ' ' ILE . 15.3 mm -57.2 -43.85 82.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.516 1.135 . . . . 73.0 109.277 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 26.0 mtp -66.54 -24.39 66.36 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.48 1.112 . . . . 74.14 111.049 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . 0.438 ' CB ' HD11 ' A' ' 18' ' ' LEU . . . -65.43 -54.25 31.32 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.526 1.141 . . . . 71.11 109.289 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 4.3 mp -67.0 -46.65 84.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.128 . . . . 75.43 109.301 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 1.3 m-80 -53.15 -21.34 4.86 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.486 1.116 . . . . 71.12 109.31 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 2.3 t -73.21 -37.27 66.49 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.442 1.089 . . . . 74.31 110.033 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 2.0 mptp? -74.15 -45.39 49.05 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.501 1.126 . . . . 75.44 109.308 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . 0.595 ' CD1' ' CD1' ' A' ' 45' ' ' ILE . 0.3 OUTLIER -82.06 -3.46 7.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.469 1.106 . . . . 75.24 109.308 179.967 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' SER . . . . . 0.418 ' C ' ' N ' ' A' ' 40' ' ' THR . 41.7 t -46.53 -25.12 0.63 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.506 1.129 . . . . 72.04 110.009 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . 0.401 ' N ' ' C ' ' A' ' 37' ' ' ILE . 31.5 t30 -40.3 -31.94 0.16 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.563 1.165 . . . . 70.41 109.286 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' THR . . . . . 0.418 ' N ' ' C ' ' A' ' 38' ' ' SER . 0.0 OUTLIER -113.77 131.23 56.29 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.114 . . . . 74.32 110.423 -179.984 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 1.2 m-70 -120.77 40.03 3.63 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.499 1.124 . . . . 63.01 109.628 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 6.9 pt -106.58 -35.91 3.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.482 1.114 . . . . 74.4 109.258 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 30.9 t 179.63 92.96 0.18 Allowed Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.51 1.131 . . . . 73.52 110.021 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.93 -162.26 0.14 Allowed 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.489 1.783 . . . . 75.53 111.03 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . 0.595 ' CD1' ' CD1' ' A' ' 37' ' ' ILE . 1.5 pp -130.83 98.43 3.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.488 1.118 . . . . 71.05 109.27 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' THR . . . . . 0.419 ' O ' ' CD1' ' A' ' 30' ' ' ILE . 16.3 p -73.47 -4.98 37.11 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.492 1.12 . . . . 74.21 110.379 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 7.9 mmmm -121.4 129.82 53.24 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.461 1.1 . . . . 74.11 109.344 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . 0.461 HG13 ' CD1' ' A' ' 30' ' ' ILE . 1.9 pp -128.48 139.01 53.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.534 1.146 . . . . 74.32 109.297 -179.953 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 17.9 ttmt -93.22 112.59 24.57 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.522 1.139 . . . . 65.43 109.31 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' TYR . . . . . 0.547 ' CE1' HG22 ' A' ' 58' ' ' VAL . 8.0 p90 -103.08 147.23 27.24 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.536 1.148 . . . . 74.22 111.016 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 51.5 tt0 -76.67 145.83 38.51 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.513 1.133 . . . . 74.13 110.327 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 14.2 t0 -113.53 -171.57 1.91 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.49 1.119 . . . . 74.22 109.304 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . 0.452 ' HB3' ' CG ' ' A' ' 72' ' ' MET . 2.4 pp20? -74.02 -18.32 60.86 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.509 1.131 . . . . 73.24 110.264 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -84.34 6.54 22.66 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.466 1.104 . . . . 64.54 109.302 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 63.04 12.04 41.45 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.492 1.12 . . . . 53.44 110.977 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -100.4 153.71 19.11 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.557 0.798 . . . . 71.34 109.273 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 39.5 m-85 -90.45 120.9 31.95 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 64.34 111.001 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . 0.547 HG22 ' CE1' ' A' ' 50' ' ' TYR . 0.3 OUTLIER -122.06 148.67 25.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.548 1.155 . . . . 74.41 109.284 -179.999 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 13.1 p -72.95 149.07 8.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.464 1.103 . . . . 72.54 109.279 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.53 ' HB2' ' CD1' ' A' ' 50' ' ' TYR . 0.3 OUTLIER -133.39 120.29 20.76 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.479 1.112 . . . . 74.44 109.326 179.997 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . 0.435 ' N ' ' CD1' ' A' ' 60' ' ' LEU . . . -163.31 27.75 0.23 Allowed Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.541 1.151 . . . . 74.24 110.964 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 72.1 m -150.67 167.75 26.41 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.522 0.778 . . . . 74.11 110.001 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . 0.444 ' O ' ' N ' ' A' ' 67' ' ' ASN . 1.2 p-10 -73.38 -29.83 62.87 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.478 1.111 . . . . 74.34 109.267 -179.937 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . 0.499 ' O ' ' CG2' ' A' ' 68' ' ' VAL . 2.6 tt0 -67.31 -38.09 84.41 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.506 1.129 . . . . 64.3 110.324 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 10.2 m-20 -85.7 -11.89 52.56 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.506 1.129 . . . . 75.31 109.344 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' TRP . . . . . 0.592 ' CZ3' ' OD1' ' A' ' 67' ' ' ASN . 5.8 t90 -97.62 -22.62 16.38 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.523 1.139 . . . . 75.13 108.02 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . 0.592 ' OD1' ' CZ3' ' A' ' 66' ' ' TRP . 42.1 m-20 -94.87 -46.87 6.68 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.525 1.14 . . . . 74.32 109.33 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . 0.499 ' CG2' ' O ' ' A' ' 64' ' ' GLU . 86.1 t -62.96 -36.06 74.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.545 1.153 . . . . 71.05 109.271 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . 0.415 ' CB ' ' CE2' ' A' ' 50' ' ' TYR . . . -70.1 -49.96 45.61 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.556 1.16 . . . . 74.52 109.284 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 14.0 mtpp -56.33 -44.17 79.73 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.451 1.094 . . . . 74.33 109.308 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 16.7 mt-10 -66.67 -24.26 66.25 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.527 1.142 . . . . 65.01 110.334 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' MET . . . . . 0.452 ' CG ' ' HB3' ' A' ' 53' ' ' GLU . 4.1 tpt -75.11 -16.12 60.56 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.556 1.16 . . . . 70.42 111.001 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 3.2 mt -65.5 -52.41 52.97 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.458 1.098 . . . . 74.23 109.286 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -57.62 -20.81 35.51 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.5 1.125 . . . . 72.14 109.27 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 13.0 mm-40 -96.28 -26.23 15.48 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.449 1.093 . . . . 74.35 110.328 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' ASN . . . . . 0.433 ' N ' ' O ' ' A' ' 72' ' ' MET . 93.6 m-20 -82.12 -11.53 58.7 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.444 1.09 . . . . 74.12 109.263 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 14.7 m-80 60.39 35.53 20.52 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.473 1.108 . . . . 72.54 109.274 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 9.7 pt-20 -118.08 161.2 20.22 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.491 1.119 . . . . 74.14 110.282 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -119.98 19.0 12.42 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.568 1.167 . . . . 75.23 109.298 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 7.7 p90 -154.49 165.99 34.7 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.477 1.111 . . . . 73.45 110.985 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.459 ' CD1' HD11 ' A' ' 83' ' ' ILE . 1.8 tm? -118.47 160.91 20.88 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.504 1.127 . . . . 75.54 109.284 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' ASN . . . . . 0.435 ' C ' ' ND2' ' A' ' 82' ' ' ASN . 1.0 OUTLIER -129.25 136.06 49.61 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.484 1.115 . . . . 70.32 109.351 179.968 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . 0.537 HG13 ' CD2' ' A' ' 7' ' ' PHE . 46.2 mm -126.88 157.97 37.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.503 1.127 . . . . 73.22 109.265 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 13.1 ttm180 -138.71 128.99 25.72 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.498 1.124 . . . . 75.13 110.313 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . 0.467 HD23 ' CD1' ' A' ' 45' ' ' ILE . 0.1 OUTLIER -113.94 139.99 48.76 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.48 1.112 . . . . 73.22 109.343 179.967 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' TYR . . . . . 0.411 ' N ' HD13 ' A' ' 85' ' ' LEU . 9.1 p90 . . . . . 0 C--N 1.324 -0.5 0 O-C-N 124.5 1.125 . . . . 74.51 111.033 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 N--CA 1.453 -0.884 0 N-CA-C 110.998 -0.424 . . . . 72.24 110.998 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 3.6 pp -130.5 141.46 50.5 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.474 1.109 . . . . 64.44 109.304 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 104.47 17.8 14.5 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.478 1.111 . . . . 70.3 111.001 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -138.97 -178.48 5.35 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.486 0.756 . . . . 65.3 110.029 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . 0.526 ' CG2' ' CE1' ' A' ' 7' ' ' PHE . 45.5 mt -132.69 152.9 37.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.435 1.084 . . . . 71.22 109.282 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.498 ' CD1' ' N ' ' A' ' 7' ' ' PHE . 2.6 tm? -122.87 148.75 45.06 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.484 1.115 . . . . 75.42 109.269 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . 0.672 ' CE2' ' CG1' ' A' ' 20' ' ' VAL . 22.8 m-85 -131.72 131.18 42.83 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.514 1.134 . . . . 74.21 110.998 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 54.9 mtp180 -95.04 71.89 3.37 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.502 1.126 . . . . 75.42 110.273 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 5.1 mp -60.02 124.04 13.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.485 1.116 . . . . 74.51 109.295 179.938 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' SER . . . . . 0.506 ' O ' ' CB ' ' A' ' 85' ' ' LEU . 1.4 p -99.64 134.47 42.48 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.479 1.112 . . . . 74.13 110.003 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 6.5 t80 -160.27 130.97 5.55 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.575 1.172 . . . . 75.43 111.012 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . 0.583 ' O ' ' CB ' ' A' ' 13' ' ' SER . 2.5 m-20 64.44 11.89 6.9 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.521 1.138 . . . . 65.13 109.26 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' SER . . . . . 0.583 ' CB ' ' O ' ' A' ' 12' ' ' ASN . 1.2 t 91.62 12.48 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.562 1.164 . . . . 55.32 109.966 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . 0.481 ' HB2' ' CZ ' ' A' ' 16' ' ' PHE . 37.8 mm-40 -102.71 -179.26 3.91 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.492 1.12 . . . . 73.33 110.313 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.481 ' N ' ' CD1' ' A' ' 15' ' ' ILE . 3.0 mp -141.16 117.24 6.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.523 1.139 . . . . 74.31 109.293 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . 0.481 ' CZ ' ' HB2' ' A' ' 14' ' ' GLU . 3.0 m-85 -117.24 122.68 44.66 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.455 1.097 . . . . 74.41 111.002 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 2.2 p -81.03 129.23 34.44 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.531 1.144 . . . . 72.55 110.375 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.409 HD22 ' CE ' ' A' ' 36' ' ' LYS . 1.5 tm? -124.82 101.79 7.25 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.483 1.114 . . . . 74.14 109.262 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.492 ' CD1' ' C ' ' A' ' 19' ' ' LEU . 0.3 OUTLIER -71.54 105.8 3.76 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.513 1.133 . . . . 72.24 109.286 -179.999 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.672 ' CG1' ' CE2' ' A' ' 7' ' ' PHE . 7.2 p -106.43 147.64 11.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.485 1.116 . . . . 74.11 109.308 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . 0.566 ' HB2' ' CD1' ' A' ' 24' ' ' TRP . 2.2 mm-40 -86.98 164.42 16.52 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.502 1.126 . . . . 74.55 110.33 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 3.3 mtpt -90.99 18.3 6.86 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.522 1.139 . . . . 75.53 109.312 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . 0.491 ' O ' ' CG2' ' A' ' 23' ' ' VAL . 0.7 OUTLIER -126.07 3.36 4.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.458 1.099 . . . . 74.4 109.291 -179.97 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' TRP . . . . . 0.566 ' CD1' ' HB2' ' A' ' 21' ' ' GLU . 31.7 m0 -90.06 131.69 35.79 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.496 1.122 . . . . 74.32 108.025 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 20.3 p-10 -81.35 -175.47 5.49 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.517 1.136 . . . . 74.41 109.27 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . 0.5 ' CG ' ' N ' ' A' ' 27' ' ' ASP . 8.6 p90 -61.79 -39.82 93.07 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.506 1.129 . . . . 74.2 110.988 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . 0.5 ' N ' ' CG ' ' A' ' 26' ' ' PHE . 4.7 t70 -62.35 -46.01 90.63 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 72.34 109.253 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 16.4 m-20 -66.66 -35.96 81.42 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.525 1.141 . . . . 75.45 109.323 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 10.6 tp -59.05 -56.51 21.35 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.567 1.167 . . . . 75.43 109.287 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 25.9 mm -56.06 -49.23 76.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.539 1.149 . . . . 73.15 109.311 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 8.2 mmt -60.73 -24.74 65.93 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.473 1.108 . . . . 65.04 110.991 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -66.97 -49.24 66.04 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.526 1.141 . . . . 64.53 109.268 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 2.9 mp -69.78 -40.6 79.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.485 1.116 . . . . 75.41 109.312 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 1.3 m-80 -62.78 -15.91 55.74 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.131 . . . . 74.13 109.319 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 1.6 t -86.4 -41.8 14.17 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.517 1.136 . . . . 74.53 110.023 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . 0.411 ' N ' ' HD2' ' A' ' 36' ' ' LYS . 3.1 mptt -69.36 -38.36 78.04 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.504 1.127 . . . . 75.34 109.321 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . 0.466 ' CD1' HG13 ' A' ' 45' ' ' ILE . 0.8 OUTLIER -88.99 -5.49 10.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.493 1.12 . . . . 74.55 109.294 179.994 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' SER . . . . . 0.439 ' O ' ' CD2' ' A' ' 41' ' ' HIS . 41.5 t -39.44 -29.99 0.06 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.53 1.144 . . . . 72.34 110.011 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . 0.432 ' N ' ' O ' ' A' ' 37' ' ' ILE . 3.5 t30 -41.91 -50.66 4.48 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.436 1.085 . . . . 65.14 109.305 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 59.7 p -70.9 117.89 12.97 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.475 1.109 . . . . 74.52 110.435 179.943 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' HIS . . . . . 0.439 ' CD2' ' O ' ' A' ' 38' ' ' SER . 28.6 m170 -109.35 37.41 2.61 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.52 1.137 . . . . 75.21 109.649 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 1.3 pp -111.9 -38.31 3.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.516 1.135 . . . . 74.24 109.285 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 5.2 t 171.78 117.03 0.06 OUTLIER Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.513 1.133 . . . . 71.24 109.977 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -162.18 0.14 Allowed 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.446 1.761 . . . . 75.24 110.977 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . 0.467 HG12 ' CD2' ' A' ' 85' ' ' LEU . 1.4 pp -135.11 125.5 44.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.501 1.126 . . . . 74.25 109.301 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 37.3 p -104.73 41.94 1.27 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.531 1.144 . . . . 74.53 110.417 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 9.1 ptmm? -174.52 110.16 0.14 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.493 1.12 . . . . 71.24 109.319 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 5.9 pt -106.95 130.74 58.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.518 1.136 . . . . 72.42 109.336 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 31.6 mttt -85.04 113.16 21.25 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.492 1.12 . . . . 75.42 109.315 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' TYR . . . . . 0.556 ' CE1' HG23 ' A' ' 58' ' ' VAL . 8.7 p90 -107.29 147.22 30.53 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.539 1.149 . . . . 74.13 110.981 -179.949 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 38.1 tt0 -72.01 152.24 42.59 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.534 1.146 . . . . 73.43 110.322 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 14.6 t0 -107.27 177.32 4.88 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.485 1.116 . . . . 74.44 109.292 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 1.2 pm0 -69.3 -20.01 63.89 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.521 1.138 . . . . 73.33 110.299 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -88.4 11.75 16.05 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.501 1.126 . . . . 73.03 109.315 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 68.25 10.91 60.64 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.461 1.1 . . . . 65.44 110.99 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 14.0 m-20 -88.99 176.88 6.82 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.491 0.76 . . . . 74.13 109.295 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . 0.476 ' CD1' ' N ' ' A' ' 57' ' ' PHE . 1.6 p90 -116.17 124.17 49.63 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.121 . . . . 74.24 111.039 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . 0.556 HG23 ' CE1' ' A' ' 50' ' ' TYR . 0.1 OUTLIER -126.45 158.6 36.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.533 1.145 . . . . 71.01 109.261 179.984 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 14.5 p -84.46 145.37 8.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.47 1.106 . . . . 72.23 109.253 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.465 ' HB2' ' CD1' ' A' ' 50' ' ' TYR . 0.7 OUTLIER -135.62 119.02 16.79 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.467 1.104 . . . . 60.55 109.301 179.994 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . 0.407 ' N ' HD13 ' A' ' 60' ' ' LEU . . . -158.4 25.02 0.38 Allowed Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.469 1.106 . . . . 73.22 110.994 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 1.8 m -153.81 170.05 21.9 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.494 0.761 . . . . 51.35 110.008 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -69.44 -31.28 69.5 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.502 1.126 . . . . 70.15 109.303 -179.95 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . 0.442 ' HA ' ' ND2' ' A' ' 67' ' ' ASN . 10.5 tt0 -72.92 -13.24 61.22 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.511 1.132 . . . . 73.21 110.34 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -110.32 -8.19 14.74 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 71.52 109.326 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' TRP . . . . . 0.593 ' CE2' ' NZ ' ' A' ' 70' ' ' LYS . 7.8 t-105 -102.91 -15.27 16.22 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.496 1.122 . . . . 64.15 107.997 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . 0.499 ' ND2' ' N ' ' A' ' 68' ' ' VAL . 0.1 OUTLIER -101.51 -37.41 8.42 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.456 1.098 . . . . 73.52 109.323 -179.996 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . 0.499 ' N ' ' ND2' ' A' ' 67' ' ' ASN . 20.9 t -78.55 -7.85 10.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.458 1.099 . . . . 72.33 109.31 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . 0.543 ' CB ' ' CE2' ' A' ' 50' ' ' TYR . . . -100.1 -30.93 11.68 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.469 1.105 . . . . 62.22 109.299 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . 0.593 ' NZ ' ' CE2' ' A' ' 66' ' ' TRP . 17.5 mtmm -66.18 -41.72 89.87 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.486 1.116 . . . . 64.42 109.264 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 57.9 mt-10 -49.76 -35.83 23.8 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.511 1.132 . . . . 72.32 110.272 -180.0 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' MET . . . . . 0.402 ' O ' ' ND2' ' A' ' 76' ' ' ASN . 2.1 ttt -61.69 -48.01 82.72 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.482 1.113 . . . . 73.33 111.037 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . 0.42 ' CD2' ' OE2' ' A' ' 78' ' ' GLU . 52.8 mt -54.59 -44.56 73.15 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.508 1.13 . . . . 75.22 109.33 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -61.45 -34.89 76.19 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.469 1.106 . . . . 74.41 109.272 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 60.9 mt-10 -78.45 -25.57 45.94 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.496 1.123 . . . . 75.23 110.29 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' ASN . . . . . 0.541 ' N ' HD21 ' A' ' 76' ' ' ASN . 1.4 m-80 -89.94 -15.17 32.58 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.436 1.085 . . . . 71.44 109.277 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . 0.414 ' N ' ' O ' ' A' ' 73' ' ' LEU . 37.5 m-80 57.13 40.13 28.5 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.511 1.132 . . . . 75.4 109.324 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . 0.442 ' HB2' ' CD1' ' A' ' 80' ' ' PHE . 18.5 pt-20 -118.72 161.08 20.71 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.449 1.093 . . . . 72.1 110.365 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 2.2 ttpm? -111.85 16.51 20.38 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.517 1.135 . . . . 74.35 109.288 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' PHE . . . . . 0.442 ' CD1' ' HB2' ' A' ' 78' ' ' GLU . 12.6 p90 -142.21 150.67 41.3 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.508 1.13 . . . . 75.34 110.985 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 7.4 tt -130.62 159.85 35.97 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.518 1.136 . . . . 64.5 109.301 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 1.4 t30 -99.49 116.68 32.19 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.486 1.117 . . . . 71.35 109.29 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 46.9 mm -117.18 138.36 48.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.499 1.125 . . . . 75.05 109.298 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . 0.421 ' CG ' ' N ' ' A' ' 85' ' ' LEU . 56.9 ttt-85 -111.63 154.96 24.12 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.481 1.113 . . . . 75.54 110.298 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . 0.506 ' CB ' ' O ' ' A' ' 10' ' ' SER . 5.3 tp -153.74 115.74 4.29 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.478 1.111 . . . . 73.23 109.289 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' TYR . . . . . 0.493 ' CG ' ' O ' ' A' ' 86' ' ' TYR . 10.9 p90 . . . . . 0 C--N 1.325 -0.5 0 O-C-N 124.525 1.141 . . . . 74.25 111.022 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 N--CA 1.452 -0.927 0 N-CA-C 111.009 -0.419 . . . . 72.44 111.009 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 5.4 mp -78.88 -23.13 45.07 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.48 1.113 . . . . 74.13 109.304 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -106.14 79.6 0.27 Allowed Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.539 1.149 . . . . 72.03 111.031 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 1.3 p -128.88 171.37 12.36 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.516 0.774 . . . . 43.53 110.012 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . 0.597 ' CD1' ' CD ' ' A' ' 70' ' ' LYS . 28.2 mt -143.05 164.06 16.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.458 1.099 . . . . 74.21 109.307 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.494 ' N ' ' CG2' ' A' ' 5' ' ' ILE . 3.3 tm? -124.84 147.92 48.5 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.482 1.114 . . . . 74.55 109.328 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . 0.56 ' CD2' HG11 ' A' ' 20' ' ' VAL . 11.3 m-85 -147.06 116.5 7.03 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.468 1.105 . . . . 75.22 111.002 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 44.8 mtt180 -89.35 99.75 12.68 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.5 1.125 . . . . 75.43 110.271 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.458 ' CD1' ' HB3' ' A' ' 18' ' ' LEU . 4.6 mp -81.65 112.14 19.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.479 1.112 . . . . 71.32 109.315 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' SER . . . . . 0.42 ' HB3' ' CG2' ' A' ' 15' ' ' ILE . 11.7 p -119.11 125.87 50.29 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.503 1.127 . . . . 74.21 110.015 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . 0.563 ' CG ' ' N ' ' A' ' 12' ' ' ASN . 61.4 t80 -134.36 174.74 10.19 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.493 1.121 . . . . 75.13 111.018 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . 0.563 ' N ' ' CG ' ' A' ' 11' ' ' TYR . 51.1 t30 -38.1 -30.19 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.469 1.106 . . . . 75.1 109.308 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' SER . . . . . 0.483 ' N ' ' O ' ' A' ' 11' ' ' TYR . 3.8 m -69.56 -90.82 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.493 1.121 . . . . 72.43 109.981 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 37.3 mt-10 -146.54 -169.75 3.35 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.521 1.138 . . . . 73.32 110.316 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.569 ' N ' ' CD1' ' A' ' 15' ' ' ILE . 1.4 mp -110.52 122.92 65.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.493 1.121 . . . . 73.33 109.277 -179.947 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 29.2 m-85 -121.12 178.77 4.62 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.507 1.129 . . . . 75.1 111.005 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 4.7 p -129.88 135.02 47.88 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.472 1.107 . . . . 74.42 110.396 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.458 ' HB3' ' CD1' ' A' ' 9' ' ' ILE . 1.5 tm? -131.82 122.26 25.46 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.472 1.108 . . . . 72.31 109.329 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.492 ' CD1' ' C ' ' A' ' 19' ' ' LEU . 0.8 OUTLIER -93.69 113.6 25.72 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.473 1.108 . . . . 75.23 109.272 -179.961 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.56 HG11 ' CD2' ' A' ' 7' ' ' PHE . 8.8 p -109.67 148.17 13.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.498 1.124 . . . . 72.34 109.267 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . 0.571 ' HB2' ' CD1' ' A' ' 24' ' ' TRP . 3.7 mm-40 -79.59 171.58 14.95 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.507 1.13 . . . . 73.45 110.32 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 85.6 mttt -91.83 16.46 10.83 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.575 1.172 . . . . 75.14 109.3 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . 0.499 ' O ' ' CG2' ' A' ' 23' ' ' VAL . 0.2 OUTLIER -123.29 0.64 6.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.477 1.111 . . . . 74.42 109.316 -179.982 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' TRP . . . . . 0.571 ' CD1' ' HB2' ' A' ' 21' ' ' GLU . 18.4 m0 -93.07 92.73 7.94 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.504 1.127 . . . . 74.44 107.977 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . 0.413 ' OD1' ' N ' ' A' ' 25' ' ' ASN . 7.3 p-10 -52.61 177.3 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.503 1.127 . . . . 74.44 109.278 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 13.2 p90 -52.98 -32.32 45.59 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.525 1.141 . . . . 75.44 110.985 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 4.8 t0 -65.19 -66.58 0.53 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.5 1.125 . . . . 75.34 109.269 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . 0.513 ' OD1' ' CE3' ' A' ' 24' ' ' TRP . 17.3 t0 -55.19 -27.05 43.07 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.438 1.086 . . . . 75.22 109.274 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.461 ' O ' ' CD1' ' A' ' 33' ' ' ILE . 0.9 OUTLIER -63.02 -46.01 89.63 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.507 1.129 . . . . 73.03 109.305 179.974 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 14.2 mm -69.44 -50.98 46.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.479 1.112 . . . . 74.32 109.29 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 39.2 mmm -63.17 -16.32 59.71 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.43 1.081 . . . . 63.04 111.003 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -76.04 -50.62 14.27 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.518 1.136 . . . . 74.04 109.234 -179.938 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.461 ' CD1' ' O ' ' A' ' 29' ' ' LEU . 3.5 mp -70.38 -39.97 77.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.545 1.153 . . . . 72.43 109.268 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -50.24 -24.05 2.63 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.554 1.158 . . . . 73.32 109.301 -179.953 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' SER . . . . . 0.424 ' O ' ' CB ' ' A' ' 38' ' ' SER . 4.4 m -83.5 -43.61 15.59 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.121 . . . . 74.4 109.991 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . 0.412 ' N ' ' HD2' ' A' ' 36' ' ' LYS . 3.6 mptt -61.46 -35.56 77.96 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.555 1.159 . . . . 74.13 109.315 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . 0.424 ' CD1' HG12 ' A' ' 45' ' ' ILE . 2.6 pt -82.04 -13.11 12.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.556 1.16 . . . . 61.41 109.349 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' SER . . . . . 0.424 ' CB ' ' O ' ' A' ' 35' ' ' SER . 6.4 t -46.33 -25.25 0.6 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.482 1.114 . . . . 73.32 109.972 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 6.7 t30 -40.36 -33.94 0.29 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.512 1.132 . . . . 73.41 109.276 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 14.8 p -88.6 -54.91 3.94 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.507 1.129 . . . . 72.3 110.402 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 11.6 t-160 60.81 37.24 18.81 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.473 1.108 . . . . 74.44 109.61 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 11.7 pt -130.29 -46.15 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.508 1.13 . . . . 72.24 109.276 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 12.6 t -147.75 95.26 4.26 Favored Pre-proline 0 C--N 1.324 -0.514 0 O-C-N 124.494 1.121 . . . . 71.3 109.99 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 -162.19 0.14 Allowed 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.479 1.779 . . . . 73.2 110.987 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . 0.465 ' CG2' ' HG ' ' A' ' 85' ' ' LEU . 11.5 pt -116.83 151.47 18.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.534 1.146 . . . . 74.22 109.303 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 42.9 p -119.15 5.61 11.27 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.46 1.1 . . . . 74.25 110.366 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . 0.416 ' CE ' HG23 ' A' ' 59' ' ' VAL . 10.3 ptmt -174.46 132.76 0.37 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.447 1.092 . . . . 71.35 109.287 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 2.4 pt -115.36 123.99 71.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.472 1.107 . . . . 73.41 109.344 179.938 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . 0.422 ' HD3' ' N ' ' A' ' 59' ' ' VAL . 0.0 OUTLIER -87.13 117.11 25.65 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.526 1.141 . . . . 74.3 109.273 -179.959 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' TYR . . . . . 0.556 ' CE1' HG21 ' A' ' 58' ' ' VAL . 3.6 p90 -109.17 139.27 44.3 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.42 1.075 . . . . 74.31 111.029 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 49.6 tt0 -72.78 141.45 48.08 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.522 1.139 . . . . 72.32 110.288 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -113.64 -170.97 1.8 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.537 1.148 . . . . 70.34 109.241 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 2.5 pp20? -65.63 -32.34 73.85 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.497 1.123 . . . . 72.13 110.283 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 3.8 t70 -63.62 -14.29 50.28 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.476 1.11 . . . . 74.01 109.311 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 78.58 37.3 27.38 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.473 1.108 . . . . 73.31 110.995 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 5.4 t70 -136.7 149.0 47.65 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.472 0.748 . . . . 75.35 109.316 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 3.5 m-85 -85.23 113.92 21.95 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.548 1.155 . . . . 73.21 111.023 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . 0.556 HG21 ' CE1' ' A' ' 50' ' ' TYR . 0.0 OUTLIER -109.6 129.87 63.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.454 1.096 . . . . 71.21 109.313 -179.978 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . 0.422 ' N ' ' HD3' ' A' ' 49' ' ' LYS . 1.4 p -55.7 132.99 19.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.51 1.131 . . . . 74.21 109.265 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.427 HD11 ' CB ' ' A' ' 65' ' ' ASP . 0.4 OUTLIER -120.51 124.7 46.03 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.484 1.115 . . . . 74.33 109.298 -179.994 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . 0.406 ' N ' ' CD1' ' A' ' 60' ' ' LEU . . . -166.91 29.67 0.18 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.57 1.168 . . . . 70.1 111.031 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 1.6 p -146.44 161.84 39.55 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.495 0.761 . . . . 73.0 109.987 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 50.4 t0 -65.31 -20.11 66.26 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.484 1.115 . . . . 73.41 109.308 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . 0.501 ' O ' ' CG2' ' A' ' 68' ' ' VAL . 11.1 pt-20 -85.5 -40.91 15.83 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.489 1.118 . . . . 73.55 110.306 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . 0.427 ' CB ' HD11 ' A' ' 60' ' ' LEU . 66.0 m-20 -79.87 1.73 26.0 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.503 1.127 . . . . 74.4 109.313 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' TRP . . . . . 0.561 ' CZ2' ' HE2' ' A' ' 70' ' ' LYS . 1.3 t90 -102.68 -40.9 6.41 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 108.005 -1.109 . . . . 75.2 108.005 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . 0.496 ' OD1' ' C ' ' A' ' 67' ' ' ASN . 0.7 OUTLIER -82.16 -40.81 21.26 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.486 1.116 . . . . 73.33 109.277 -179.945 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . 0.501 ' CG2' ' O ' ' A' ' 64' ' ' GLU . 89.5 t -66.13 -14.53 17.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.515 1.134 . . . . 74.41 109.294 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -89.82 -26.8 20.35 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.491 1.12 . . . . 73.12 109.327 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . 0.597 ' CD ' ' CD1' ' A' ' 5' ' ' ILE . 9.2 mtmp? -83.53 -55.5 4.26 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.547 1.155 . . . . 72.54 109.272 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 88.1 mt-10 -48.1 -31.99 6.28 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.53 1.144 . . . . 74.3 110.315 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 16.1 tpp -63.86 -48.26 77.44 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.47 1.106 . . . . 75.4 110.964 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 8.3 mt -44.9 -50.33 10.5 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.501 1.126 . . . . 64.21 109.326 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -55.2 -40.41 70.73 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.466 1.104 . . . . 74.2 109.301 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 19.9 mm-40 -73.15 -22.96 60.41 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.53 1.144 . . . . 75.14 110.253 -179.947 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 87.1 m-20 -92.0 -10.51 39.0 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.445 1.091 . . . . 71.13 109.271 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 3.2 m-80 61.17 32.45 19.53 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.517 1.136 . . . . 63.25 109.3 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 9.4 pt-20 -117.63 146.43 43.67 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.531 1.145 . . . . 72.1 110.311 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 9.8 mmmm -105.51 29.1 6.8 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.522 1.139 . . . . 75.32 109.312 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 13.3 p90 -152.18 173.63 14.74 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.492 1.12 . . . . 74.21 111.028 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.523 ' HB3' ' CD1' ' A' ' 7' ' ' PHE . 3.0 tm? -152.73 140.57 20.07 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.541 1.151 . . . . 74.25 109.283 -179.952 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' ASN . . . . . 0.45 ' C ' ' ND2' ' A' ' 82' ' ' ASN . 0.9 OUTLIER -99.34 141.6 31.91 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.501 1.126 . . . . 73.22 109.313 179.964 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . 0.467 HD13 ' CD1' ' A' ' 81' ' ' LEU . 38.1 mm -128.25 160.28 38.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.487 1.117 . . . . 55.5 109.321 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 40.1 ttt-85 -146.4 153.13 40.13 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.463 1.102 . . . . 72.03 110.302 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . 0.465 ' HG ' ' CG2' ' A' ' 45' ' ' ILE . 2.0 mm? -137.05 139.88 41.65 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.474 1.109 . . . . 74.45 109.315 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' TYR . . . . . 0.408 ' C ' ' O ' ' A' ' 85' ' ' LEU . 3.2 t80 . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.497 1.123 . . . . 74.11 110.96 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo . . . . . 0 N--CA 1.453 -0.88 0 N-CA-C 110.995 -0.425 . . . . 72.12 110.995 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 5.2 mp -111.86 -15.72 13.3 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.474 1.109 . . . . 74.14 109.305 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -93.19 68.51 1.65 Allowed Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.562 1.164 . . . . 72.45 111.038 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -166.64 -171.75 1.95 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.471 0.748 . . . . 73.43 110.008 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 53.5 mt -132.9 147.22 31.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.475 1.11 . . . . 72.04 109.297 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.423 ' CD1' ' N ' ' A' ' 7' ' ' PHE . 3.2 tm? -95.69 148.77 22.21 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.521 1.138 . . . . 73.53 109.319 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . 0.447 ' CD1' ' HB3' ' A' ' 81' ' ' LEU . 1.2 m-85 -122.29 118.23 28.02 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.503 1.127 . . . . 72.13 111.007 179.95 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 6.0 mtp180 -87.91 84.49 6.99 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.523 1.139 . . . . 74.34 110.313 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 2.0 mp -68.9 109.04 1.8 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.554 1.159 . . . . 75.04 109.278 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' SER . . . . . 0.453 ' O ' ' N ' ' A' ' 85' ' ' LEU . 41.1 m -90.94 140.58 29.69 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.514 1.134 . . . . 52.22 110.002 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . 0.511 ' CD2' ' OE2' ' A' ' 14' ' ' GLU . 5.6 t80 -133.07 -171.52 2.7 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.511 1.132 . . . . 74.21 111.022 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 3.5 m-20 -72.06 87.38 1.06 Allowed 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.507 1.13 . . . . 74.54 109.263 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 71.9 7.44 5.85 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.505 1.128 . . . . 71.35 110.021 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . 0.511 ' OE2' ' CD2' ' A' ' 11' ' ' TYR . 1.7 tt0 -120.85 159.2 25.97 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.482 1.114 . . . . 73.4 110.262 -179.958 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.48 ' N ' ' CG ' ' A' ' 14' ' ' GLU . 8.7 mm -138.34 142.0 36.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.528 1.143 . . . . 73.24 109.301 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . 0.557 ' CE1' ' HB3' ' A' ' 36' ' ' LYS . 10.7 t80 -138.27 154.45 49.05 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.517 1.135 . . . . 72.12 110.978 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' THR . . . . . 0.421 ' O ' ' CD1' ' A' ' 16' ' ' PHE . 2.4 p -115.91 150.95 36.27 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.506 1.129 . . . . 74.23 110.396 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.452 ' CD2' HG22 ' A' ' 20' ' ' VAL . 8.2 tt -157.29 133.84 9.89 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.516 1.135 . . . . 73.41 109.291 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.557 ' O ' ' CH2' ' A' ' 24' ' ' TRP . 0.2 OUTLIER -87.21 117.61 26.07 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.457 1.098 . . . . 74.01 109.326 179.969 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.56 ' HA ' ' CZ3' ' A' ' 24' ' ' TRP . 38.5 t -114.51 115.23 48.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.466 1.104 . . . . 73.11 109.315 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . 0.568 ' HB2' ' CD1' ' A' ' 24' ' ' TRP . 21.5 mt-10 -67.81 166.35 15.62 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.45 1.094 . . . . 54.42 110.291 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 5.3 mtpt -89.84 15.59 9.57 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.453 1.096 . . . . 75.55 109.298 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -116.36 -38.58 2.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.524 1.14 . . . . 70.32 109.336 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' TRP . . . . . 0.568 ' CD1' ' HB2' ' A' ' 21' ' ' GLU . 32.8 m0 -45.23 154.72 0.15 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.535 1.147 . . . . 75.5 107.96 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 16.6 p-10 -113.02 -174.2 2.41 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.465 1.103 . . . . 71.51 109.299 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . 0.451 ' CB ' ' C ' ' A' ' 62' ' ' SER . 7.6 p90 -60.42 -29.39 68.95 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.467 1.104 . . . . 72.42 111.016 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 20.9 t0 -72.71 -64.0 1.05 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.491 1.119 . . . . 75.23 109.295 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 81.1 m-20 -53.6 -33.44 54.94 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.463 1.102 . . . . 74.4 109.353 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.448 HD21 ' CD2' ' A' ' 60' ' ' LEU . 2.3 tp -60.04 -62.6 1.75 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.524 1.14 . . . . 75.13 109.315 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 30.9 mm -53.17 -47.02 56.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.522 1.139 . . . . 75.42 109.317 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 37.5 mtp -61.07 -32.9 72.54 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.479 1.112 . . . . 73.22 110.957 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -60.7 -53.14 61.08 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.486 1.117 . . . . 75.22 109.272 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 3.2 mp -65.08 -39.52 85.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 73.23 109.333 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . 0.465 ' N ' HD21 ' A' ' 34' ' ' ASN . 1.1 m-80 -68.1 -15.54 63.64 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.48 1.113 . . . . 74.44 109.258 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 2.6 t -91.47 -37.83 12.93 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.423 1.077 . . . . 73.22 110.028 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . 0.557 ' HB3' ' CE1' ' A' ' 16' ' ' PHE . 1.2 mptt -74.06 -35.13 64.25 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.488 1.118 . . . . 74.44 109.32 179.952 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . 0.45 ' CD1' HG13 ' A' ' 45' ' ' ILE . 2.5 pt -93.84 -3.14 10.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.487 1.117 . . . . 75.5 109.306 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' SER . . . . . 0.421 ' C ' ' N ' ' A' ' 40' ' ' THR . 1.0 OUTLIER -46.42 -25.18 0.61 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.487 1.117 . . . . 72.25 109.977 179.997 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . 0.401 ' ND2' ' C ' ' A' ' 39' ' ' ASN . 1.2 t30 -40.46 -29.99 0.1 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.492 1.12 . . . . 71.14 109.274 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' THR . . . . . 0.421 ' N ' ' C ' ' A' ' 38' ' ' SER . 64.7 p -100.0 93.68 5.88 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.454 1.096 . . . . 72.21 110.458 179.938 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 54.2 m80 -88.9 44.36 1.21 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.496 1.123 . . . . 73.34 109.569 -179.944 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . 0.404 ' CG1' ' N ' ' A' ' 43' ' ' SER . 6.8 pt -117.64 -50.57 4.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.545 1.153 . . . . 74.23 109.311 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' SER . . . . . 0.404 ' N ' ' CG1' ' A' ' 42' ' ' ILE . 4.8 t -174.51 93.58 0.31 Allowed Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.488 1.117 . . . . 44.53 109.994 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.95 -162.26 0.15 Allowed 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.487 1.783 . . . . 63.01 110.993 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . 0.468 HG12 ' CD2' ' A' ' 85' ' ' LEU . 1.4 pp -115.49 124.48 72.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.512 1.132 . . . . 72.22 109.346 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 13.9 p -94.57 2.97 55.66 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.456 1.098 . . . . 75.53 110.34 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -142.45 137.5 30.37 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.469 1.106 . . . . 73.34 109.343 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . 0.443 ' O ' ' N ' ' A' ' 60' ' ' LEU . 44.5 pt -126.96 143.32 40.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.501 1.125 . . . . 74.55 109.318 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 16.8 ttmt -110.66 96.61 6.29 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.499 1.124 . . . . 74.33 109.323 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' TYR . . . . . 0.576 ' CE2' ' CB ' ' A' ' 69' ' ' ALA . 9.1 p90 -83.31 152.74 24.97 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.492 1.12 . . . . 75.22 110.939 -179.927 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 43.6 tt0 -80.41 152.15 28.98 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.491 1.12 . . . . 64.35 110.282 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 15.4 t0 -112.74 -176.78 2.98 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.494 1.121 . . . . 75.12 109.313 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . 0.493 ' CB ' ' OD1' ' A' ' 76' ' ' ASN . 14.4 pt-20 -74.68 -16.25 60.77 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.477 1.111 . . . . 73.53 110.299 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -91.42 16.84 9.41 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.477 1.111 . . . . 74.14 109.325 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 51.76 37.63 43.37 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.525 1.141 . . . . 72.1 111.013 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -128.95 129.12 45.02 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.539 0.788 . . . . 64.51 109.252 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 11.6 m-30 -64.26 139.74 58.8 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.498 1.124 . . . . 73.41 110.991 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . 0.539 HG21 ' CE1' ' A' ' 50' ' ' TYR . 0.2 OUTLIER -139.31 139.39 39.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.545 1.153 . . . . 72.14 109.255 -179.976 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . 0.406 HG11 ' N ' ' A' ' 60' ' ' LEU . 57.2 t -62.67 152.72 7.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 O-C-N 124.456 1.097 . . . . 75.45 109.322 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.458 ' CD1' ' C ' ' A' ' 60' ' ' LEU . 0.3 OUTLIER -140.44 118.57 11.96 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.514 1.133 . . . . 74.31 109.291 179.986 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -157.82 24.63 0.42 Allowed Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.505 1.128 . . . . 64.44 110.974 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' SER . . . . . 0.451 ' C ' ' CB ' ' A' ' 26' ' ' PHE . 75.0 m -155.3 176.93 11.93 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.535 0.785 . . . . 54.25 109.983 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 5.9 t0 -83.39 -20.89 33.36 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.49 1.119 . . . . 72.33 109.349 179.938 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . 0.444 ' O ' ' CG ' ' A' ' 64' ' ' GLU . 11.9 tt0 -80.18 -8.41 59.42 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.462 1.101 . . . . 75.33 110.305 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 26.2 m-20 -110.26 -21.01 12.45 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.513 1.133 . . . . 74.23 109.309 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' TRP . . . . . 0.582 ' O ' ' CE3' ' A' ' 66' ' ' TRP . 3.7 t-105 -93.59 -23.56 18.26 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 107.977 -1.12 . . . . 74.13 107.977 -179.943 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 5.6 t30 -88.76 -49.14 7.02 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.509 1.131 . . . . 73.2 109.285 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . 0.409 ' CG2' ' O ' ' A' ' 64' ' ' GLU . 43.8 t -57.11 -27.58 27.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.502 1.126 . . . . 71.53 109.318 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . 0.576 ' CB ' ' CE2' ' A' ' 50' ' ' TYR . . . -77.37 -34.18 55.1 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.513 1.133 . . . . 74.44 109.306 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 2.4 mtmp? -70.53 -55.39 9.01 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.5 1.125 . . . . 71.41 109.303 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 18.0 pt-20 -51.82 -21.11 2.6 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.479 1.112 . . . . 74.11 110.299 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 2.0 tpt -83.76 -31.45 25.96 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.563 1.164 . . . . 74.31 111.032 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 3.9 mt -57.63 -46.31 84.33 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.533 1.146 . . . . 74.4 109.312 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -60.52 -15.86 31.45 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.459 1.099 . . . . 73.42 109.298 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 20.8 mt-10 -97.23 -28.35 14.12 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.483 1.115 . . . . 70.42 110.323 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' ASN . . . . . 0.493 ' OD1' ' CB ' ' A' ' 53' ' ' GLU . 80.2 m-20 -89.26 13.95 12.19 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.492 1.12 . . . . 70.32 109.292 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 25.1 m-80 40.46 32.08 0.13 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.511 1.132 . . . . 74.01 109.34 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . 0.447 ' OE1' ' CB ' ' A' ' 76' ' ' ASN . 8.8 pt-20 -114.58 145.82 41.51 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.518 1.136 . . . . 71.22 110.281 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 23.1 mmtm -111.47 15.2 21.33 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.507 1.129 . . . . 75.34 109.314 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' PHE . . . . . 0.419 ' CE2' ' HB2' ' A' ' 78' ' ' GLU . 29.0 p90 -127.42 -174.78 3.26 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.503 1.127 . . . . 75.14 110.994 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.447 ' HB3' ' CD1' ' A' ' 7' ' ' PHE . 1.5 tm? -150.12 163.54 37.94 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.553 1.158 . . . . 72.22 109.257 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' ASN . . . . . 0.451 ' C ' ' ND2' ' A' ' 82' ' ' ASN . 1.0 OUTLIER -131.99 121.08 23.35 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.474 1.109 . . . . 73.13 109.281 -179.965 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . 0.442 ' CD1' HD11 ' A' ' 81' ' ' LEU . 18.0 mm -113.34 162.07 11.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.445 1.09 . . . . 73.25 109.333 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 15.0 ttt180 -126.94 137.28 53.1 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.563 1.164 . . . . 75.22 110.272 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . 0.468 ' CD2' HG12 ' A' ' 45' ' ' ILE . 35.8 mt -137.81 96.9 3.31 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.47 1.106 . . . . 63.34 109.256 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 4.7 t80 . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.126 . . . . 75.44 111.009 179.985 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo . . . . . 0 N--CA 1.453 -0.902 0 N-CA-C 111.004 -0.422 . . . . 74.43 111.004 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -99.03 127.04 44.88 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.413 1.07 . . . . 75.31 109.291 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -122.07 37.85 2.77 Favored Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.511 1.132 . . . . 74.21 110.995 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -137.57 173.92 11.15 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.458 0.74 . . . . 73.33 110.014 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 17.7 mt -132.77 140.52 47.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.523 1.14 . . . . 72.24 109.284 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -95.04 148.16 22.64 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.476 1.11 . . . . 73.3 109.341 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . 0.694 ' CD1' ' CG1' ' A' ' 20' ' ' VAL . 4.3 m-85 -133.71 116.85 16.27 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.472 1.108 . . . . 74.02 111.004 -179.956 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . 0.601 ' CG ' ' CG2' ' A' ' 15' ' ' ILE . 2.2 tpp85 -86.14 119.32 26.3 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.513 1.133 . . . . 75.31 110.301 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 4.2 mp -107.38 118.66 55.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.497 1.123 . . . . 64.14 109.287 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 3.5 t -95.03 136.94 34.73 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.547 1.154 . . . . 75.53 109.989 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 2.2 t80 -159.78 129.73 5.46 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.527 1.142 . . . . 73.24 110.994 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . 0.596 ' O ' ' CB ' ' A' ' 13' ' ' SER . 6.8 t30 64.7 12.55 7.69 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.474 1.109 . . . . 73.43 109.256 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' SER . . . . . 0.596 ' CB ' ' O ' ' A' ' 12' ' ' ASN . 1.9 t 92.95 1.81 0.08 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.484 1.115 . . . . 71.11 109.99 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . 0.429 ' CD ' ' N ' ' A' ' 15' ' ' ILE . 1.4 tp10 -98.18 152.18 19.64 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.49 1.119 . . . . 75.32 110.249 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.601 ' CG2' ' CG ' ' A' ' 8' ' ' ARG . 2.4 mm -105.01 132.56 51.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.46 1.1 . . . . 75.53 109.286 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 2.3 t80 -118.76 178.91 4.3 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.504 1.127 . . . . 75.13 110.987 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 2.0 p -136.06 140.14 43.57 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.438 1.086 . . . . 74.43 110.411 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.435 ' CD2' ' HD3' ' A' ' 36' ' ' LYS . 1.5 tm? -148.65 108.24 3.99 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.48 1.112 . . . . 73.4 109.33 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.493 ' CD1' ' C ' ' A' ' 19' ' ' LEU . 0.2 OUTLIER -72.82 109.68 6.59 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.463 1.102 . . . . 74.13 109.287 -179.976 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.694 ' CG1' ' CD1' ' A' ' 7' ' ' PHE . 4.6 p -112.67 120.51 62.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.533 1.145 . . . . 73.32 109.285 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . 0.564 ' HB2' ' CD1' ' A' ' 24' ' ' TRP . 4.3 mm-40 -67.36 170.11 7.85 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.509 1.131 . . . . 75.31 110.275 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 4.7 mtpt -91.16 14.68 13.55 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.55 1.156 . . . . 75.43 109.318 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . 0.471 ' O ' ' CG2' ' A' ' 23' ' ' VAL . 0.3 OUTLIER -121.49 -1.16 7.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.57 1.169 . . . . 73.51 109.265 -179.982 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' TRP . . . . . 0.564 ' CD1' ' HB2' ' A' ' 21' ' ' GLU . 27.7 m0 -81.98 118.26 22.84 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 107.976 -1.12 . . . . 75.33 107.976 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . 0.423 ' OD1' ' N ' ' A' ' 25' ' ' ASN . 10.0 p-10 -70.98 -176.06 1.28 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.52 1.137 . . . . 73.25 109.304 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . 0.513 ' CG ' ' N ' ' A' ' 27' ' ' ASP . 7.5 p90 -64.75 -40.1 94.73 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.555 1.159 . . . . 73.54 111.016 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . 0.513 ' N ' ' CG ' ' A' ' 26' ' ' PHE . 21.5 t0 -60.56 -42.3 96.35 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.505 1.128 . . . . 64.42 109.264 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . 0.449 ' O ' ' N ' ' A' ' 32' ' ' ALA . 70.6 m-20 -73.12 -31.32 64.23 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.503 1.127 . . . . 70.14 109.326 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.45 ' O ' ' CD1' ' A' ' 33' ' ' ILE . 10.9 tp -64.24 -49.17 72.96 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.126 . . . . 75.42 109.327 179.945 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . 0.412 ' CD1' HG12 ' A' ' 48' ' ' ILE . 13.6 mm -64.46 -45.02 96.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.465 1.103 . . . . 74.31 109.318 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 31.1 mmt -71.14 -21.46 62.19 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.514 1.134 . . . . 74.24 110.955 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . 0.449 ' N ' ' O ' ' A' ' 28' ' ' ASP . . . -68.31 -45.02 74.14 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.522 1.139 . . . . 73.01 109.309 -179.949 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.45 ' CD1' ' O ' ' A' ' 29' ' ' LEU . 3.9 mp -79.71 -46.72 22.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.513 1.133 . . . . 74.23 109.301 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . 0.405 ' ND2' HD11 ' A' ' 45' ' ' ILE . 1.4 m-80 -54.52 -22.49 13.14 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.473 1.108 . . . . 65.44 109.288 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 1.5 t -80.25 -42.52 23.04 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.443 1.09 . . . . 75.13 109.976 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . 0.435 ' HD3' ' CD2' ' A' ' 18' ' ' LEU . 1.0 OUTLIER -65.75 -41.97 91.48 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.482 1.114 . . . . 72.0 109.285 -179.999 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 1.9 pt -76.51 -16.12 14.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.469 1.106 . . . . 75.41 109.316 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' SER . . . . . 0.441 ' C ' ' N ' ' A' ' 40' ' ' THR . 3.2 t -54.87 -20.55 9.03 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.473 1.108 . . . . 75.21 109.985 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . 0.417 ' C ' ' ND2' ' A' ' 39' ' ' ASN . 1.2 t30 -40.51 -30.4 0.11 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.532 1.145 . . . . 72.54 109.296 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' THR . . . . . 0.441 ' N ' ' C ' ' A' ' 38' ' ' SER . 70.1 p -87.84 -48.31 7.92 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.545 1.153 . . . . 74.34 110.388 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 27.2 t60 57.79 34.85 24.9 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.487 1.117 . . . . 73.34 109.579 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 1.3 pp -111.23 -30.46 2.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.46 1.1 . . . . 73.1 109.312 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 3.4 t 167.27 94.15 0.03 OUTLIER Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.459 1.099 . . . . 72.3 110.038 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -162.23 0.14 Allowed 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.568 1.825 . . . . 73.13 110.984 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . 0.419 HD13 ' CG2' ' A' ' 48' ' ' ILE . 1.3 pp -115.47 157.95 16.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.473 1.108 . . . . 75.42 109.27 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 4.1 p -114.86 -7.65 12.6 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.461 1.101 . . . . 73.15 110.413 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 7.2 ptmm? -139.66 109.44 6.32 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.505 1.128 . . . . 64.1 109.312 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . 0.419 ' CG2' HD13 ' A' ' 45' ' ' ILE . 5.0 pt -99.15 141.39 16.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.524 1.14 . . . . 75.15 109.331 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . 0.468 ' HD3' ' CG2' ' A' ' 59' ' ' VAL . 1.3 tppp? -103.04 120.93 41.56 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.471 1.107 . . . . 75.25 109.313 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' TYR . . . . . 0.5 ' CE1' HG22 ' A' ' 58' ' ' VAL . 7.9 p90 -112.13 146.72 37.54 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.556 1.16 . . . . 75.11 111.037 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . 0.406 ' NE2' ' HA2' ' A' ' 55' ' ' GLY . 51.0 tt0 -73.4 156.1 38.66 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.454 1.096 . . . . 74.41 110.274 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 12.4 t0 -113.11 -173.21 2.21 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.522 1.139 . . . . 73.31 109.282 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . 0.415 ' HG2' ' CG ' ' A' ' 72' ' ' MET . 2.7 pp20? -77.71 -5.94 52.27 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.544 1.153 . . . . 62.35 110.277 -179.945 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 24.5 t70 -96.61 -1.11 47.52 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.506 1.129 . . . . 73.51 109.258 -179.95 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . 0.406 ' HA2' ' NE2' ' A' ' 51' ' ' GLN . . . 78.27 0.52 77.96 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.493 1.121 . . . . 62.21 111.015 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 6.8 t0 -84.65 -175.41 5.77 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.472 0.748 . . . . 71.55 109.317 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 3.1 p90 -115.05 130.5 56.95 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.496 1.123 . . . . 75.32 111.004 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . 0.5 HG22 ' CE1' ' A' ' 50' ' ' TYR . 0.0 OUTLIER -132.79 131.32 59.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.49 1.119 . . . . 73.22 109.325 -179.981 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . 0.468 ' CG2' ' HD3' ' A' ' 49' ' ' LYS . 76.4 t -59.2 165.03 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.476 1.11 . . . . 74.52 109.309 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.435 ' HB2' ' CD1' ' A' ' 50' ' ' TYR . 3.2 tp -152.91 120.67 6.06 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.545 1.153 . . . . 74.34 109.287 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -161.84 26.99 0.26 Allowed Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.509 1.131 . . . . 53.22 111.002 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 9.3 m -160.63 162.71 32.82 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.495 0.762 . . . . 75.33 109.991 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -71.09 -29.6 65.5 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.504 1.128 . . . . 74.23 109.262 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . 0.492 ' O ' ' CG2' ' A' ' 68' ' ' VAL . 3.2 tt0 -71.07 -8.13 51.29 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.493 1.121 . . . . 75.34 110.245 -179.918 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 10.8 t0 -110.27 -23.76 11.05 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.508 1.13 . . . . 71.21 109.301 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' TRP . . . . . 0.599 ' O ' ' CE3' ' A' ' 66' ' ' TRP . 3.6 t-105 -91.09 -21.29 21.29 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.544 1.152 . . . . 72.12 108.029 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 81.2 m-20 -95.36 -25.59 16.23 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.552 1.157 . . . . 71.45 109.288 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . 0.492 ' CG2' ' O ' ' A' ' 64' ' ' GLU . 3.6 t -79.73 -14.91 13.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.487 1.117 . . . . 74.22 109.27 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . 0.475 ' HB3' ' CE2' ' A' ' 50' ' ' TYR . . . -93.09 -45.05 8.08 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.482 1.114 . . . . 70.1 109.337 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . 0.569 ' HD3' ' CH2' ' A' ' 66' ' ' TRP . 3.1 mtmp? -52.44 -54.87 26.58 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.495 1.122 . . . . 73.24 109.317 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 33.0 mt-10 -45.73 -32.74 2.63 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.541 1.151 . . . . 74.12 110.293 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' MET . . . . . 0.415 ' CG ' ' HG2' ' A' ' 53' ' ' GLU . 20.3 tpp -72.18 -41.27 67.18 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.514 1.134 . . . . 71.21 110.973 -179.947 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . 0.446 ' O ' ' N ' ' A' ' 77' ' ' ASN . 4.8 mt -52.73 -44.08 66.16 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.518 1.136 . . . . 73.4 109.303 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -57.58 -33.46 68.19 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.573 1.17 . . . . 72.22 109.337 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 76.3 mt-10 -82.16 -24.06 35.23 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.479 1.112 . . . . 74.22 110.323 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' ASN . . . . . 0.627 ' N ' HD21 ' A' ' 76' ' ' ASN . 1.0 OUTLIER -89.31 -16.04 32.04 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.547 1.155 . . . . 75.15 109.322 179.948 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . 0.446 ' N ' ' O ' ' A' ' 73' ' ' LEU . 6.2 m-80 60.69 46.12 9.49 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.473 1.108 . . . . 73.33 109.287 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -125.05 154.77 40.82 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.517 1.136 . . . . 74.31 110.301 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 59.4 mmtt -119.97 29.92 7.29 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.517 1.136 . . . . 74.33 109.326 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 7.7 p90 -144.95 170.66 15.72 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.459 1.099 . . . . 72.33 110.977 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.514 HD13 ' CZ ' ' A' ' 7' ' ' PHE . 2.0 tt -150.06 158.73 44.46 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.484 1.115 . . . . 75.01 109.315 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' ASN . . . . . 0.411 ' C ' ' ND2' ' A' ' 82' ' ' ASN . 1.2 t30 -115.03 148.87 38.3 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.547 1.154 . . . . 72.11 109.275 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . 0.442 ' N ' ' O ' ' A' ' 8' ' ' ARG . 15.5 mm -137.44 167.31 23.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.494 1.121 . . . . 65.32 109.279 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . 0.414 ' N ' HG21 ' A' ' 83' ' ' ILE . 15.8 ttt180 -145.04 126.58 15.06 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.518 1.136 . . . . 73.31 110.285 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . 0.433 ' CD1' HG21 ' A' ' 83' ' ' ILE . 10.8 mp -133.31 139.68 47.01 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.511 1.132 . . . . 74.13 109.336 179.934 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 17.5 t80 . . . . . 0 C--N 1.326 -0.45 0 O-C-N 124.478 1.112 . . . . 73.13 111.028 179.998 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 N--CA 1.453 -0.879 0 N-CA-C 110.948 -0.443 . . . . 75.12 110.948 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 6.0 mp -100.44 -24.6 14.45 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.489 1.118 . . . . 75.44 109.318 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -82.56 64.39 4.29 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.51 1.131 . . . . 42.21 111.034 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' SER . . . . . 0.425 ' CB ' ' CD1' ' A' ' 19' ' ' LEU . 26.1 m -171.26 -175.23 1.62 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.535 0.785 . . . . 52.54 109.977 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 29.4 mt -126.19 144.75 35.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.532 1.145 . . . . 73.13 109.246 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.422 HD23 ' N ' ' A' ' 7' ' ' PHE . 0.1 OUTLIER -88.73 142.25 27.83 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.469 1.106 . . . . 74.45 109.279 179.976 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . 0.571 ' CD1' HG11 ' A' ' 20' ' ' VAL . 1.0 OUTLIER -122.61 108.51 13.19 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.473 1.108 . . . . 74.34 111.023 179.995 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . 0.6 ' CZ ' ' CE1' ' A' ' 80' ' ' PHE . 91.9 mtt180 -86.11 112.94 21.76 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.442 1.089 . . . . 72.21 110.303 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.464 HG21 ' CD1' ' A' ' 85' ' ' LEU . 3.9 mp -98.67 101.66 12.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.49 1.119 . . . . 75.52 109.332 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' SER . . . . . 0.487 ' CB ' ' CD1' ' A' ' 15' ' ' ILE . 1.4 p -92.32 117.28 29.74 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.513 1.133 . . . . 64.13 110.053 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 1.1 t80 -101.68 46.54 0.93 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.525 1.141 . . . . 74.24 111.022 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 2.8 m-20 54.95 17.04 1.68 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.524 1.14 . . . . 72.53 109.286 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 13.4 t -142.35 -89.81 0.14 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.523 1.139 . . . . 54.41 109.984 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 30.8 mt-10 -106.75 158.81 16.7 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.551 1.157 . . . . 74.11 110.284 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.487 ' CD1' ' CB ' ' A' ' 10' ' ' SER . 3.2 mm -100.89 130.71 49.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.127 . . . . 73.45 109.303 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 4.4 m-85 -102.46 174.69 5.79 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.509 1.13 . . . . 74.14 111.021 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 2.0 p -132.53 125.57 30.89 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.54 1.15 . . . . 74.02 110.381 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.466 ' CD1' ' HB ' ' A' ' 20' ' ' VAL . 0.8 OUTLIER -134.94 110.24 8.99 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.503 1.127 . . . . 72.44 109.289 -179.98 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.425 ' CD1' ' CB ' ' A' ' 4' ' ' SER . 0.1 OUTLIER -67.3 102.22 1.05 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.461 1.1 . . . . 72.33 109.322 179.984 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.571 HG11 ' CD1' ' A' ' 7' ' ' PHE . 6.3 p -106.22 112.24 38.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.445 1.09 . . . . 64.42 109.296 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . 0.568 ' HB2' ' CD1' ' A' ' 24' ' ' TRP . 5.2 mm-40 -52.94 169.8 0.09 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.525 1.141 . . . . 70.52 110.266 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -89.22 15.42 8.95 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.471 1.107 . . . . 64.33 109.294 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . 0.478 ' O ' ' CG2' ' A' ' 23' ' ' VAL . 0.8 OUTLIER -125.5 2.97 4.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.518 1.137 . . . . 74.44 109.259 -179.951 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' TRP . . . . . 0.568 ' CD1' ' HB2' ' A' ' 21' ' ' GLU . 33.0 m0 -86.33 87.55 7.45 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.529 1.143 . . . . 75.35 108.005 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . 0.441 ' HA ' ' CE2' ' A' ' 66' ' ' TRP . 15.2 p-10 -55.53 -178.92 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.505 1.128 . . . . 75.23 109.279 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 19.3 p90 -53.73 -31.23 47.5 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.467 1.104 . . . . 74.52 111.017 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 15.7 t0 -67.05 -64.51 0.84 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.536 1.147 . . . . 72.51 109.282 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . 0.486 ' O ' ' CB ' ' A' ' 32' ' ' ALA . 0.9 OUTLIER -58.14 -17.84 21.26 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.127 . . . . 73.43 109.321 179.992 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.505 ' CD1' ' CD1' ' A' ' 33' ' ' ILE . 0.1 OUTLIER -75.94 -58.38 3.32 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.541 1.151 . . . . 73.14 109.296 179.943 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . 0.444 ' O ' ' ND2' ' A' ' 34' ' ' ASN . 25.2 mm -58.21 -40.07 76.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.482 1.114 . . . . 75.11 109.304 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 25.5 mmm -75.64 -19.3 59.28 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.504 1.128 . . . . 75.02 111.014 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . 0.486 ' CB ' ' O ' ' A' ' 28' ' ' ASP . . . -73.93 -67.01 0.64 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.548 1.155 . . . . 73.02 109.265 -179.957 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.505 ' CD1' ' CD1' ' A' ' 29' ' ' LEU . 3.8 mp -58.36 -32.54 45.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.514 1.134 . . . . 72.32 109.3 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . 0.444 ' ND2' ' O ' ' A' ' 30' ' ' ILE . 0.7 OUTLIER -55.43 -20.36 12.09 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.501 1.126 . . . . 74.13 109.266 -179.965 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 8.6 t -92.7 -21.99 19.66 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.484 1.115 . . . . 74.04 110.024 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . 0.454 ' HD2' ' CD2' ' A' ' 18' ' ' LEU . 0.0 OUTLIER -77.19 -42.35 37.91 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.487 1.117 . . . . 75.45 109.288 -179.99 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . 0.469 HD13 ' CB ' ' A' ' 44' ' ' PRO . 13.4 pt -80.24 -16.0 12.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.52 1.138 . . . . 72.02 109.246 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' SER . . . . . 0.433 ' C ' ' N ' ' A' ' 40' ' ' THR . 11.0 t -54.58 -19.36 5.81 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.529 1.143 . . . . 71.34 109.985 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . 0.418 ' ND2' HG23 ' A' ' 40' ' ' THR . 14.5 p-10 -41.42 -29.34 0.15 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.485 1.116 . . . . 71.53 109.283 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' THR . . . . . 0.442 ' CB ' HG12 ' A' ' 42' ' ' ILE . 13.0 p -93.28 -57.62 2.55 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.467 1.105 . . . . 75.53 110.379 -179.939 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' HIS . . . . . 0.435 ' N ' ' OG1' ' A' ' 40' ' ' THR . 11.4 t-160 80.73 31.53 0.16 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.481 1.113 . . . . 64.55 109.588 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . 0.442 HG12 ' CB ' ' A' ' 40' ' ' THR . 0.9 OUTLIER -102.58 -75.77 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.529 1.143 . . . . 75.23 109.3 180.0 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 46.6 p -143.73 101.23 5.03 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.477 1.111 . . . . 72.05 110.007 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . 0.469 ' CB ' HD13 ' A' ' 37' ' ' ILE . 18.2 Cg_endo -75.04 -162.26 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.494 1.787 . . . . 75.54 111.011 -179.953 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 1.3 pp -132.95 168.1 25.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.483 1.115 . . . . 74.33 109.33 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 3.2 p -129.17 4.65 5.26 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.501 1.126 . . . . 74.35 110.393 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -142.68 163.68 32.15 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.524 1.14 . . . . 74.24 109.287 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . 0.461 ' HB ' ' CG2' ' A' ' 83' ' ' ILE . 4.6 pt -150.9 163.15 3.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.515 1.134 . . . . 73.2 109.28 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . 0.415 ' HG3' ' N ' ' A' ' 59' ' ' VAL . 23.8 tttt -122.81 91.88 3.59 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.502 1.126 . . . . 74.41 109.316 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' TYR . . . . . 0.526 ' CE1' HG21 ' A' ' 58' ' ' VAL . 6.5 p90 -81.59 151.24 27.77 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.451 1.094 . . . . 74.41 111.014 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . 0.404 ' O ' ' CD2' ' A' ' 50' ' ' TYR . 36.4 tt0 -75.97 153.7 36.39 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.524 1.14 . . . . 75.12 110.315 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . 0.452 ' OD1' ' N ' ' A' ' 54' ' ' ASP . 18.1 p30 -120.69 -173.13 2.52 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.516 1.135 . . . . 72.53 109.287 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 5.2 pt-20 -72.04 -23.87 61.45 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.544 1.152 . . . . 74.22 110.264 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . 0.452 ' N ' ' OD1' ' A' ' 52' ' ' ASP . 0.2 OUTLIER -80.09 1.45 27.87 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.518 1.136 . . . . 73.31 109.254 -179.969 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 64.13 20.49 64.99 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.505 1.128 . . . . 54.2 111.005 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 19.5 m-20 -115.31 124.64 51.82 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.56 0.8 . . . . 61.22 109.273 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 5.7 p90 -54.13 139.71 34.44 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.483 1.115 . . . . 75.2 110.964 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . 0.526 HG21 ' CE1' ' A' ' 50' ' ' TYR . 0.1 OUTLIER -139.11 135.95 42.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.443 1.089 . . . . 72.43 109.307 179.982 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . 0.415 ' N ' ' HG3' ' A' ' 49' ' ' LYS . 68.2 t -58.12 159.95 1.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.469 1.106 . . . . 73.44 109.273 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.464 ' CD1' ' C ' ' A' ' 60' ' ' LEU . 0.3 OUTLIER -157.83 116.35 3.14 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.549 1.156 . . . . 73.22 109.315 179.99 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -155.22 25.84 0.61 Allowed Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.525 1.14 . . . . 50.42 111.019 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 3.5 p -149.69 167.62 25.91 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.462 0.742 . . . . 71.1 110.006 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 1.1 p-10 -74.86 -29.74 61.12 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.444 1.09 . . . . 74.12 109.282 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . 0.492 ' O ' ' CG2' ' A' ' 68' ' ' VAL . 8.7 tt0 -69.81 -17.79 63.42 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.518 1.136 . . . . 73.33 110.256 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 16.0 t0 -109.36 -15.49 14.24 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.513 1.133 . . . . 73.35 109.319 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' TRP . . . . . 0.509 ' CZ2' ' HE2' ' A' ' 70' ' ' LYS . 0.0 OUTLIER -93.17 -22.01 19.31 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.568 1.168 . . . . 73.45 108.024 179.951 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 7.6 t30 -96.53 -36.27 10.82 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.519 1.137 . . . . 72.23 109.312 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . 0.492 ' CG2' ' O ' ' A' ' 64' ' ' GLU . 73.8 t -75.78 -16.79 15.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.593 1.183 . . . . 75.4 109.262 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . 0.505 ' CB ' ' CE2' ' A' ' 50' ' ' TYR . . . -89.16 -38.82 14.01 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.538 1.149 . . . . 73.43 109.339 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . 0.509 ' HE2' ' CZ2' ' A' ' 66' ' ' TRP . 4.9 mtmp? -70.37 -48.55 55.74 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.529 1.143 . . . . 72.51 109.357 179.932 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 9.6 pt-20 -55.82 -18.9 9.72 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.551 1.157 . . . . 64.35 110.289 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' MET . . . . . 0.405 ' HG2' ' ND2' ' A' ' 76' ' ' ASN . 14.9 ttm -81.63 -29.65 33.14 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.533 1.146 . . . . 74.43 110.964 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . 0.464 HD21 ' CG ' ' A' ' 78' ' ' GLU . 12.2 mt -52.77 -52.38 56.84 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.121 . . . . 70.45 109.284 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -55.73 -19.43 10.99 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.457 1.098 . . . . 74.33 109.253 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -90.41 -29.29 18.1 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.52 1.137 . . . . 74.44 110.326 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' ASN . . . . . 0.581 ' N ' HD21 ' A' ' 76' ' ' ASN . 1.0 OUTLIER -84.95 -1.84 57.19 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.532 1.145 . . . . 73.11 109.272 179.969 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 2.3 m-80 60.66 20.73 10.68 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.481 1.113 . . . . 71.1 109.273 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . 0.464 ' CG ' HD21 ' A' ' 73' ' ' LEU . 11.1 pt-20 -105.89 148.37 27.68 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.512 1.133 . . . . 74.41 110.298 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 16.1 mtmt -110.67 19.31 18.78 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.514 1.134 . . . . 74.33 109.281 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' PHE . . . . . 0.6 ' CE1' ' CZ ' ' A' ' 8' ' ' ARG . 5.4 p90 -142.57 170.13 16.28 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.499 1.124 . . . . 73.33 110.999 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.569 HD21 ' CE1' ' A' ' 7' ' ' PHE . 3.5 tp -136.88 140.91 42.68 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.511 1.132 . . . . 74.11 109.265 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' ASN . . . . . 0.463 ' N ' ' CD1' ' A' ' 81' ' ' LEU . 1.0 OUTLIER -114.17 119.88 38.6 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.512 1.132 . . . . 64.43 109.298 179.97 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . 0.461 ' CG2' ' HB ' ' A' ' 48' ' ' ILE . 33.5 mm -101.14 162.66 3.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.491 1.119 . . . . 74.41 109.288 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 3.4 tpp180 -136.09 120.52 18.08 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.491 1.119 . . . . 75.15 110.293 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . 0.464 ' CD1' HG21 ' A' ' 9' ' ' ILE . 8.8 mp -101.93 147.72 26.2 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.464 1.103 . . . . 72.54 109.322 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 86' ' ' TYR . . . . . 0.571 ' CD1' ' C ' ' A' ' 86' ' ' TYR . 1.5 p90 . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.509 1.13 . . . . 70.13 110.986 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.452 -0.33 0 N-CA-C 109.985 -0.376 . . . . 62.0 109.985 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 5' ' ' ILE . . . . . 0.585 HD13 ' CD1' ' A' ' 73' ' ' LEU . 44.8 mt -133.5 148.24 30.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.53 1.144 . . . . 61.5 109.296 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.845 HD22 ' H ' ' A' ' 7' ' ' PHE . 1.0 OUTLIER -109.49 146.97 33.7 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.447 1.092 . . . . 72.11 109.284 -179.997 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 7' ' ' PHE . . . . . 0.845 ' H ' HD22 ' A' ' 6' ' ' LEU . 1.8 m-30 -120.39 122.78 41.5 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.541 1.151 . . . . 75.41 110.997 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 8.3 ttp180 -99.24 84.88 3.09 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.508 1.13 . . . . 72.23 110.325 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 1.038 HG23 HD22 ' A' ' 85' ' ' LEU . 3.2 mp -58.53 110.77 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.479 1.112 . . . . 64.42 109.245 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 10' ' ' SER . . . . . 0.457 ' HA ' HD13 ' A' ' 15' ' ' ILE . 3.8 m . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.532 1.145 . . . . 64.21 110.003 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.457 HD13 ' HA ' ' A' ' 10' ' ' SER . 15.8 mm . . . . . 0 N--CA 1.453 -0.287 0 N-CA-C 109.279 -0.637 . . . . 74.41 109.279 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' PHE . . . . . 0.702 ' HD2' HD13 ' A' ' 9' ' ' ILE . 57.9 t80 -147.38 154.69 41.19 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.477 1.111 . . . . 74.24 110.98 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.53 ' HB ' HD21 ' A' ' 6' ' ' LEU . 2.2 p -116.79 134.05 55.27 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.54 1.15 . . . . 53.42 110.336 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.717 ' C ' HD23 ' A' ' 18' ' ' LEU . 3.4 tt -134.42 127.84 32.36 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.482 1.114 . . . . 53.23 109.281 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.694 ' N ' HD23 ' A' ' 18' ' ' LEU . 0.8 OUTLIER -85.51 112.22 20.72 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.466 1.104 . . . . 65.44 109.321 179.974 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.525 ' N ' HD13 ' A' ' 19' ' ' LEU . 6.9 p -113.25 122.08 66.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.539 1.149 . . . . 62.35 109.275 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 21' ' ' GLU . . . . . 0.567 ' HB2' ' CD1' ' A' ' 24' ' ' TRP . 18.9 mm-40 -63.78 167.46 5.96 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.503 1.127 . . . . 53.21 110.33 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 22' ' ' LYS . . . . . 0.424 ' HE2' HD11 ' A' ' 5' ' ' ILE . 1.3 mtpm? -93.09 18.55 9.12 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.471 1.107 . . . . 74.43 109.277 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.501 HG22 ' O ' ' A' ' 23' ' ' VAL . 0.4 OUTLIER -124.2 1.73 5.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 O-C-N 124.504 1.128 . . . . 73.14 109.297 -179.984 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 24' ' ' TRP . . . . . 0.567 ' CD1' ' HB2' ' A' ' 21' ' ' GLU . 21.1 m0 -93.63 94.81 8.81 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.575 1.172 . . . . 75.02 108.027 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 25' ' ' ASN . . . . . 0.401 ' O ' ' O ' ' A' ' 24' ' ' TRP . 0.5 OUTLIER -50.77 -178.89 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.51 1.131 . . . . 54.14 109.281 -179.995 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 21.5 p90 -57.48 -28.49 63.45 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.535 1.147 . . . . 74.42 110.989 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -66.03 -72.89 0.14 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.488 1.118 . . . . 74.45 109.285 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 28' ' ' ASP . . . . . 0.42 ' O ' ' N ' ' A' ' 32' ' ' ALA . 74.7 m-20 -51.41 -32.48 26.48 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.537 1.148 . . . . 74.32 109.316 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.615 HD12 ' CD1' ' A' ' 33' ' ' ILE . 1.2 tp -60.71 -61.74 2.37 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.492 1.12 . . . . 64.52 109.276 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 29.0 mm -54.71 -34.37 29.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.518 1.136 . . . . 70.41 109.293 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 2.9 mmt -76.02 -25.05 55.33 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.476 1.11 . . . . 52.23 111.0 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 32' ' ' ALA . . . . . 0.42 ' N ' ' O ' ' A' ' 28' ' ' ASP . . . -68.55 -48.27 64.71 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.513 1.133 . . . . 74.11 109.302 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.663 ' O ' HG23 ' A' ' 37' ' ' ILE . 4.0 mp -73.17 -38.6 55.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.47 1.106 . . . . 75.01 109.291 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 34' ' ' ASN . . . . . 0.474 HD21 HD12 ' A' ' 45' ' ' ILE . 1.4 m-80 -66.02 -15.75 63.31 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.462 1.101 . . . . 74.24 109.318 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 3.7 m -86.3 -47.55 9.29 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.541 1.151 . . . . 71.44 109.981 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 36' ' ' LYS . . . . . 0.488 ' HB3' ' CE2' ' A' ' 16' ' ' PHE . 0.0 OUTLIER -65.52 -47.16 76.88 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.501 1.126 . . . . 73.33 109.287 -179.993 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 37' ' ' ILE . . . . . 0.663 HG23 ' O ' ' A' ' 33' ' ' ILE . 1.4 pt -72.49 -9.88 13.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.463 1.102 . . . . 65.44 109.265 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 3.0 t . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.509 1.13 . . . . 72.32 110.024 -179.999 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 N--CA 1.453 -0.909 0 N-CA-C 111.029 -0.412 . . . . 73.32 111.029 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 45' ' ' ILE . . . . . 0.515 HD12 ' O ' ' A' ' 45' ' ' ILE . 1.5 pp -126.46 151.47 33.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.481 1.113 . . . . 64.42 109.285 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 15.8 p -120.34 -1.42 10.22 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.513 1.133 . . . . 45.3 110.397 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 3.0 mtpm? -133.02 126.1 31.17 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.53 1.144 . . . . 75.41 109.32 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.453 ' HB ' ' CG2' ' A' ' 83' ' ' ILE . 36.1 pt -125.9 129.28 72.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.449 1.093 . . . . 51.11 109.34 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 49' ' ' LYS . . . . . 0.451 ' HZ3' ' N ' ' A' ' 59' ' ' VAL . 7.6 tttm -103.28 108.84 20.22 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.443 1.089 . . . . 53.11 109.345 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 50' ' ' TYR . . . . . 0.695 ' HB2' HD11 ' A' ' 81' ' ' LEU . 7.9 p90 -98.85 149.29 23.06 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.514 1.134 . . . . 62.14 110.989 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 51' ' ' GLN . . . . . 0.429 ' O ' ' CD2' ' A' ' 50' ' ' TYR . 44.8 tt0 -76.13 159.48 30.68 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.465 1.103 . . . . 72.14 110.314 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 52' ' ' ASP . . . . . 0.643 ' OD2' HG21 ' A' ' 58' ' ' VAL . 22.1 m-20 -121.89 173.12 7.7 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.499 1.124 . . . . 64.43 109.322 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 53' ' ' GLU . . . . . 0.492 ' CB ' ' OD1' ' A' ' 76' ' ' ASN . 2.2 pp20? -56.57 -49.44 74.85 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.566 1.166 . . . . 54.45 110.342 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 54' ' ' ASP . . . . . 0.439 ' N ' ' CD ' ' A' ' 53' ' ' GLU . 26.8 t70 -52.65 -21.67 4.24 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.486 1.116 . . . . 64.32 109.279 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 94.52 8.28 59.81 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.462 1.101 . . . . 64.34 111.027 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -100.75 134.99 42.91 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.53 0.782 . . . . 71.41 109.28 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 57' ' ' PHE . . . . . 0.403 ' CD1' ' O ' ' A' ' 57' ' ' PHE . 9.7 p90 -68.81 142.5 54.86 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.508 1.13 . . . . 74.1 110.976 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.643 HG21 ' OD2' ' A' ' 52' ' ' ASP . 0.0 OUTLIER -139.58 142.65 32.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.547 1.154 . . . . 74.14 109.302 -179.975 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 59' ' ' VAL . . . . . 0.451 ' N ' ' HZ3' ' A' ' 49' ' ' LYS . 4.4 t -63.75 150.77 9.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.465 1.103 . . . . 72.25 109.315 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.435 HD11 ' HB2' ' A' ' 66' ' ' TRP . 1.3 tp -145.41 114.1 6.81 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.498 1.124 . . . . 71.21 109.331 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 61' ' ' GLY . . . . . 0.424 ' N ' HD12 ' A' ' 60' ' ' LEU . . . -151.76 20.73 0.9 Allowed Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.46 1.1 . . . . 73.2 111.042 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 87.6 p -151.06 173.39 14.4 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.532 0.784 . . . . 63.23 109.975 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 22.0 t0 -78.36 -30.61 48.1 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.527 1.142 . . . . 62.22 109.279 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 64' ' ' GLU . . . . . 0.491 ' O ' ' CG2' ' A' ' 68' ' ' VAL . 2.7 tt0 -69.4 -13.54 62.42 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.479 1.112 . . . . 75.0 110.309 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -111.7 -15.95 13.32 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.493 1.121 . . . . 62.31 109.305 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 66' ' ' TRP . . . . . 0.578 ' O ' ' CE3' ' A' ' 66' ' ' TRP . 3.8 t-105 -92.41 -24.04 18.99 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.532 1.145 . . . . 71.24 107.984 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 75.4 m-20 -94.47 -49.69 5.56 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.511 1.132 . . . . 61.33 109.301 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 68' ' ' VAL . . . . . 0.491 ' CG2' ' O ' ' A' ' 64' ' ' GLU . 12.4 t -50.08 -24.01 1.79 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.501 1.126 . . . . 74.02 109.28 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 69' ' ' ALA . . . . . 0.592 ' HB2' ' CE2' ' A' ' 50' ' ' TYR . . . -87.57 -41.83 13.17 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.452 1.095 . . . . 53.44 109.32 -179.948 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 70' ' ' LYS . . . . . 0.823 ' HA ' HD12 ' A' ' 73' ' ' LEU . 4.7 mtmp? -54.53 -55.72 26.26 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.485 1.116 . . . . 64.55 109.288 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 18.5 mt-10 -52.29 -20.91 2.99 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.526 1.141 . . . . 74.42 110.306 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 72' ' ' MET . . . . . 0.418 ' O ' ' N ' ' A' ' 75' ' ' GLU . 17.8 ttm -81.52 -36.4 29.23 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.583 1.177 . . . . 75.42 111.01 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.823 HD12 ' HA ' ' A' ' 70' ' ' LYS . 17.4 mt -47.13 -46.09 22.87 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.546 1.154 . . . . 72.13 109.316 -179.947 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -59.59 -35.33 74.09 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.509 1.131 . . . . 64.22 109.276 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 75' ' ' GLU . . . . . 0.418 ' N ' ' O ' ' A' ' 72' ' ' MET . 10.2 mm-40 -78.98 -23.31 44.54 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.528 1.143 . . . . 74.13 110.283 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 76' ' ' ASN . . . . . 0.492 ' OD1' ' CB ' ' A' ' 53' ' ' GLU . 72.4 m-20 -91.9 -15.08 28.59 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.53 1.144 . . . . 51.45 109.28 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 77' ' ' ASN . . . . . 0.442 ' N ' ' O ' ' A' ' 73' ' ' LEU . 44.9 m-80 61.6 38.17 15.64 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.488 1.118 . . . . 75.44 109.292 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 78' ' ' GLU . . . . . 0.555 ' HB2' ' CZ ' ' A' ' 80' ' ' PHE . 4.7 pt-20 -126.27 121.42 32.6 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.472 1.107 . . . . 74.24 110.288 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -85.18 3.8 37.48 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.463 1.102 . . . . 74.33 109.286 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 80' ' ' PHE . . . . . 0.555 ' CZ ' ' HB2' ' A' ' 78' ' ' GLU . 5.1 p90 -115.46 -179.83 3.76 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.537 1.148 . . . . 64.01 111.013 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.905 HD13 ' N ' ' A' ' 82' ' ' ASN . 2.1 tm? -152.93 160.05 43.01 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.481 1.113 . . . . 64.31 109.275 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 82' ' ' ASN . . . . . 0.905 ' N ' HD13 ' A' ' 81' ' ' LEU . 8.0 t-20 -126.76 127.25 44.76 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.519 1.137 . . . . 71.11 109.32 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 83' ' ' ILE . . . . . 0.453 ' CG2' ' HB ' ' A' ' 48' ' ' ILE . 45.7 mm -120.02 148.1 23.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.457 1.098 . . . . 65.51 109.322 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 84' ' ' ARG . . . . . 0.735 ' O ' HD12 ' A' ' 85' ' ' LEU . 10.2 tpt180 -108.58 134.18 51.69 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.467 1.104 . . . . 63.13 110.288 -179.939 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 1.038 HD22 HG23 ' A' ' 9' ' ' ILE . 6.7 mp -127.1 107.61 10.19 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.51 1.131 . . . . 75.23 109.309 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 39.6 p90 . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.541 1.15 . . . . 74.23 110.994 -179.957 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 4' ' ' SER . . . . . 0.732 ' CB ' HD11 ' A' ' 19' ' ' LEU . 0.7 OUTLIER . . . . . 0 N--CA 1.453 -0.292 0 N-CA-C 110.025 -0.361 . . . . 72.32 110.025 . . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 5' ' ' ILE . . . . . 0.51 HD13 HD22 ' A' ' 73' ' ' LEU . 56.7 mt -135.01 150.82 30.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.505 1.128 . . . . 72.45 109.3 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.981 HD13 ' N ' ' A' ' 7' ' ' PHE . 3.0 tm? -99.75 148.92 23.87 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.518 1.136 . . . . 72.34 109.294 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 7' ' ' PHE . . . . . 0.981 ' N ' HD13 ' A' ' 6' ' ' LEU . 1.9 m-85 -124.09 126.55 46.41 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.492 1.12 . . . . 74.31 110.993 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 1.2 mpt_? -95.59 85.12 4.09 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.47 1.107 . . . . 72.2 110.315 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.886 HG23 HD23 ' A' ' 85' ' ' LEU . 5.2 mp -77.18 115.67 19.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.506 1.129 . . . . 74.33 109.323 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 10' ' ' SER . . . . . 0.411 ' O ' ' N ' ' A' ' 85' ' ' LEU . 2.6 p . . . . . 0 C--N 1.325 -0.477 0 O-C-N 124.522 1.139 . . . . 71.23 109.997 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 3.4 mm . . . . . 0 N--CA 1.453 -0.288 0 N-CA-C 109.274 -0.639 . . . . 62.42 109.274 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 90.7 m-85 -123.17 141.28 52.14 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.519 1.137 . . . . 74.1 110.986 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.521 HG22 HD11 ' A' ' 6' ' ' LEU . 2.4 p -98.16 142.21 30.13 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.484 1.115 . . . . 64.14 110.348 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.693 HD11 ' HB1' ' A' ' 32' ' ' ALA . 2.3 tm? -153.86 111.79 3.54 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.565 1.166 . . . . 72.1 109.267 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.732 HD11 ' CB ' ' A' ' 4' ' ' SER . 0.2 OUTLIER -61.66 118.14 6.7 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.529 1.143 . . . . 73.35 109.301 179.992 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.897 HG21 ' CG ' ' A' ' 7' ' ' PHE . 2.3 t -114.32 100.59 10.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.479 1.112 . . . . 73.41 109.305 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 21' ' ' GLU . . . . . 0.555 ' HB2' ' CD1' ' A' ' 24' ' ' TRP . 63.1 mt-10 -54.75 163.04 1.03 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.469 1.106 . . . . 53.34 110.259 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 23.0 mttt -90.26 15.64 10.07 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.538 1.149 . . . . 61.22 109.29 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.457 HG12 ' HB3' ' A' ' 21' ' ' GLU . 0.2 OUTLIER -116.43 -38.63 2.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.126 . . . . 62.45 109.28 -179.987 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 24' ' ' TRP . . . . . 0.555 ' CZ3' ' O ' ' A' ' 19' ' ' LEU . 33.9 m0 -45.77 153.94 0.25 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.502 1.126 . . . . 74.14 108.011 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 20.7 p-10 -113.37 -174.95 2.56 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.548 1.155 . . . . 61.25 109.292 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 5.3 p90 -55.95 -29.06 59.59 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.522 1.139 . . . . 73.31 110.96 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 3.9 t70 -74.85 -73.87 0.22 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.495 1.122 . . . . 70.02 109.307 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' ASP . . . . . 0.44 ' O ' ' N ' ' A' ' 32' ' ' ALA . 49.7 m-20 -42.0 -37.24 1.31 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.525 1.14 . . . . 61.32 109.334 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.708 HD12 HD13 ' A' ' 33' ' ' ILE . 3.2 tp -54.67 -56.69 16.51 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.472 1.107 . . . . 62.4 109.269 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 32.1 mm -57.03 -49.51 79.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.469 1.106 . . . . 64.32 109.297 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 39.5 mtp -62.85 -22.6 66.8 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.476 1.11 . . . . 75.13 110.973 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 32' ' ' ALA . . . . . 0.693 ' HB1' HD11 ' A' ' 18' ' ' LEU . . . -73.4 -52.3 14.24 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.443 1.09 . . . . 54.35 109.316 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.708 HD13 HD12 ' A' ' 29' ' ' LEU . 2.2 mp -67.67 -33.34 61.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.536 1.147 . . . . 73.11 109.292 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 2.9 m-20 -59.69 -16.41 26.52 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.478 1.111 . . . . 75.03 109.293 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 8.2 t -83.68 -32.13 25.75 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.533 1.145 . . . . 70.21 109.978 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 36' ' ' LYS . . . . . 0.623 ' CE ' HD23 ' A' ' 18' ' ' LEU . 0.6 OUTLIER -82.11 -38.1 25.31 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.501 1.125 . . . . 74.43 109.314 -179.957 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 37' ' ' ILE . . . . . 0.714 HD13 HG23 ' A' ' 45' ' ' ILE . 3.6 pt -87.29 10.75 1.56 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.503 1.127 . . . . 73.13 109.318 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.498 1.124 . . . . 52.25 109.986 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 N--CA 1.453 -0.855 0 N-CA-C 111.004 -0.422 . . . . 74.11 111.004 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 45' ' ' ILE . . . . . 0.714 HG23 HD13 ' A' ' 37' ' ' ILE . 40.6 pt -102.19 123.53 55.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.558 1.161 . . . . 74.03 109.296 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -100.37 4.81 44.19 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.527 1.142 . . . . 75.13 110.418 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 10.4 ptmm? -163.97 133.82 4.09 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.533 1.145 . . . . 71.11 109.31 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.69 HG22 HD12 ' A' ' 45' ' ' ILE . 42.9 pt -121.87 133.8 67.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.461 1.101 . . . . 73.55 109.299 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 8.3 ttmm -103.24 103.49 13.53 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.487 1.117 . . . . 73.21 109.306 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 50' ' ' TYR . . . . . 0.644 ' HA ' HD13 ' A' ' 83' ' ' ILE . 6.5 p90 -95.48 145.85 24.87 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.476 1.11 . . . . 73.22 110.983 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 51' ' ' GLN . . . . . 0.453 ' O ' ' CD2' ' A' ' 50' ' ' TYR . 10.7 tt0 -72.98 163.51 28.06 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.547 1.154 . . . . 75.5 110.267 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 52' ' ' ASP . . . . . 0.426 ' N ' ' CG ' ' A' ' 51' ' ' GLN . 3.8 t70 -118.28 -174.95 2.77 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.501 1.125 . . . . 72.33 109.278 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 23.1 pt-20 -73.55 -37.28 65.61 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.545 1.153 . . . . 72.12 110.295 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 17.6 t70 -68.48 -15.56 63.59 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.516 1.135 . . . . 62.22 109.305 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 91.79 15.72 53.76 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.485 1.116 . . . . 63.41 110.981 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 24.0 m-20 -104.78 126.99 52.42 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.486 0.756 . . . . 75.03 109.27 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 12.6 p90 -62.49 140.18 58.6 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.552 1.158 . . . . 74.31 110.994 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.577 HG23 ' CE1' ' A' ' 50' ' ' TYR . 0.1 OUTLIER -140.53 138.73 35.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.536 1.147 . . . . 73.52 109.347 179.991 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 58.8 t -62.06 151.96 7.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.496 1.122 . . . . 75.41 109.264 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.64 HD21 HD21 ' A' ' 29' ' ' LEU . 1.5 tp -144.85 113.36 6.65 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.522 1.139 . . . . 63.24 109.328 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 61' ' ' GLY . . . . . 0.429 ' N ' HD12 ' A' ' 60' ' ' LEU . . . -152.0 22.46 0.89 Allowed Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.542 1.151 . . . . 73.2 111.032 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 7.9 m -150.39 171.1 17.56 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.468 0.746 . . . . 55.1 109.993 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -74.77 -30.02 61.32 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 62.31 109.255 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 64' ' ' GLU . . . . . 0.498 ' O ' ' CG2' ' A' ' 68' ' ' VAL . 19.3 tt0 -75.72 -9.77 58.87 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.501 1.125 . . . . 73.2 110.288 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -106.6 -18.4 13.97 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.48 1.112 . . . . 70.4 109.311 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 66' ' ' TRP . . . . . 0.592 ' O ' ' CE3' ' A' ' 66' ' ' TRP . 3.7 t-105 -100.35 -21.9 15.26 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 107.98 -1.119 . . . . 71.14 107.98 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 16.0 t-20 -90.67 -42.7 10.6 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.506 1.129 . . . . 65.2 109.347 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 68' ' ' VAL . . . . . 0.498 ' CG2' ' O ' ' A' ' 64' ' ' GLU . 16.3 t -60.24 -27.52 39.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.446 1.091 . . . . 72.35 109.266 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 69' ' ' ALA . . . . . 0.636 ' HB2' ' CE2' ' A' ' 50' ' ' TYR . . . -79.68 -47.61 15.06 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.469 1.106 . . . . 41.11 109.322 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 70' ' ' LYS . . . . . 0.559 ' HD3' ' CZ2' ' A' ' 66' ' ' TRP . 2.2 mtmp? -51.81 -61.29 2.35 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.474 1.108 . . . . 71.22 109.296 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 15.1 mm-40 -45.25 -25.6 0.4 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.523 1.139 . . . . 72.14 110.312 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 72' ' ' MET . . . . . 0.409 ' N ' ' C ' ' A' ' 70' ' ' LYS . 3.8 ttp -79.44 -43.16 23.82 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.503 1.127 . . . . 64.02 110.988 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.51 HD22 HD13 ' A' ' 5' ' ' ILE . 6.3 mp -51.25 -49.34 61.34 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.538 1.149 . . . . 73.22 109.314 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -52.4 -27.16 14.64 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.492 1.12 . . . . 63.13 109.344 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 18.7 mm-40 -92.58 -26.4 17.9 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.481 1.113 . . . . 73.44 110.271 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 80.8 m-20 -82.26 -15.46 52.98 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.542 1.152 . . . . 74.24 109.291 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 5.3 m120 60.15 42.58 15.27 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.508 1.13 . . . . 71.42 109.355 -179.922 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 8.4 pt-20 -118.13 140.53 49.64 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.454 1.096 . . . . 75.01 110.278 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 35.7 mmtt -105.38 17.22 24.3 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.504 1.127 . . . . 73.41 109.296 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 9.7 p90 -139.86 177.45 7.95 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.501 1.125 . . . . 71.35 111.028 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.923 HD13 ' CZ ' ' A' ' 7' ' ' PHE . 3.1 tt -146.69 166.41 26.66 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.534 1.146 . . . . 72.24 109.268 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 82' ' ' ASN . . . . . 0.799 ' N ' HD23 ' A' ' 81' ' ' LEU . 8.0 t-20 -125.65 125.99 43.98 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.534 1.146 . . . . 75.32 109.283 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 83' ' ' ILE . . . . . 0.644 HD13 ' HA ' ' A' ' 50' ' ' TYR . 27.0 mm -129.89 145.45 35.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.445 1.09 . . . . 75.54 109.34 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 84' ' ' ARG . . . . . 0.785 ' C ' HD22 ' A' ' 85' ' ' LEU . 3.8 ttp-105 -123.88 140.31 53.11 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.551 1.157 . . . . 75.3 110.317 179.945 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.886 HD23 HG23 ' A' ' 9' ' ' ILE . 2.9 mm? -145.0 140.86 28.46 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.471 1.107 . . . . 64.3 109.325 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 86' ' ' TYR . . . . . 0.431 ' CD1' ' N ' ' A' ' 86' ' ' TYR . 10.9 p90 . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.508 1.13 . . . . 52.41 111.01 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 4' ' ' SER . . . . . 0.561 ' CB ' HD11 ' A' ' 19' ' ' LEU . 0.9 OUTLIER . . . . . 0 N--CA 1.453 -0.291 0 N-CA-C 109.966 -0.383 . . . . 74.34 109.966 . . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 13.1 mt -131.09 143.78 39.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.532 1.145 . . . . 62.31 109.309 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 3.8 tp -96.93 139.77 32.47 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 75.02 109.288 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 7' ' ' PHE . . . . . 0.615 ' CG ' HG11 ' A' ' 20' ' ' VAL . 2.7 m-30 -117.17 119.76 36.21 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.527 1.142 . . . . 74.44 111.014 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 8' ' ' ARG . . . . . 0.747 ' HG2' HG23 ' A' ' 15' ' ' ILE . 2.9 ttm180 -87.44 98.54 11.43 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.538 1.149 . . . . 72.44 110.269 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.48 HD12 ' O ' ' A' ' 7' ' ' PHE . 3.9 mp -89.68 117.56 33.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.469 1.105 . . . . 75.21 109.286 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 1.2 t . . . . . 0 C--N 1.324 -0.509 0 O-C-N 124.478 1.111 . . . . 71.01 109.977 -179.987 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.747 HG23 ' HG2' ' A' ' 8' ' ' ARG . 14.0 mm . . . . . 0 N--CA 1.452 -0.339 0 N-CA-C 109.345 -0.613 . . . . 74.55 109.345 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 2.7 t80 -125.31 158.68 33.58 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.541 1.151 . . . . 71.13 110.958 -179.934 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 2.2 p -116.52 145.34 43.4 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.454 1.096 . . . . 70.31 110.377 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.782 HD23 ' CE ' ' A' ' 36' ' ' LYS . 0.9 OUTLIER -152.61 106.45 3.09 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.552 1.157 . . . . 72.22 109.25 179.994 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.561 HD11 ' CB ' ' A' ' 4' ' ' SER . 0.2 OUTLIER -65.09 103.61 0.78 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.522 1.139 . . . . 71.33 109.321 179.955 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.615 HG11 ' CG ' ' A' ' 7' ' ' PHE . 3.2 p -108.86 115.48 49.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.545 1.153 . . . . 73.4 109.284 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 21' ' ' GLU . . . . . 0.562 ' HB2' ' CD1' ' A' ' 24' ' ' TRP . 7.6 mm-40 -59.45 166.37 2.38 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.517 1.136 . . . . 75.13 110.25 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 19.5 mttt -86.3 9.49 17.68 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.491 1.119 . . . . 75.41 109.246 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.524 HG12 ' HB3' ' A' ' 21' ' ' GLU . 0.9 OUTLIER -113.46 -12.61 11.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.49 1.119 . . . . 72.13 109.32 179.996 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 24' ' ' TRP . . . . . 0.562 ' CD1' ' HB2' ' A' ' 21' ' ' GLU . 39.5 m0 -70.13 98.23 1.3 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.512 1.133 . . . . 74.41 107.965 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 25' ' ' ASN . . . . . 0.517 ' HA ' ' CE2' ' A' ' 66' ' ' TRP . 11.3 p-10 -63.25 179.7 0.39 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.451 1.094 . . . . 62.53 109.28 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 26' ' ' PHE . . . . . 0.556 ' CE2' ' OD2' ' A' ' 27' ' ' ASP . 20.2 p90 -49.5 -40.45 37.54 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.508 1.13 . . . . 70.02 110.969 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 27' ' ' ASP . . . . . 0.556 ' OD2' ' CE2' ' A' ' 26' ' ' PHE . 40.3 m-20 -62.72 -62.43 1.73 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.536 1.148 . . . . 62.52 109.316 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 28' ' ' ASP . . . . . 0.417 ' O ' ' HB2' ' A' ' 32' ' ' ALA . 50.1 t0 -54.14 -24.51 18.1 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.428 1.08 . . . . 64.44 109.292 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.679 ' CD2' HD21 ' A' ' 60' ' ' LEU . 0.4 OUTLIER -69.46 -57.7 4.91 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.508 1.13 . . . . 62.21 109.283 179.986 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 30' ' ' ILE . . . . . 0.457 ' CD1' HG12 ' A' ' 48' ' ' ILE . 35.8 mm -59.33 -34.69 54.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.522 1.138 . . . . 61.22 109.271 -179.949 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 3.5 mmm -76.36 -28.39 56.8 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.45 1.094 . . . . 72.1 110.999 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 32' ' ' ALA . . . . . 0.634 ' HB1' HD11 ' A' ' 18' ' ' LEU . . . -60.21 -60.83 3.2 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.539 1.149 . . . . 65.32 109.309 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.572 ' H ' HD12 ' A' ' 33' ' ' ILE . 3.6 mp -60.49 -47.04 94.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.494 1.121 . . . . 75.33 109.291 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 2.4 m120 -54.65 -20.12 7.51 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.481 1.113 . . . . 74.43 109.316 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 1.4 t -77.92 -40.73 38.74 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.498 1.124 . . . . 70.45 110.0 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 36' ' ' LYS . . . . . 0.782 ' CE ' HD23 ' A' ' 18' ' ' LEU . 0.1 OUTLIER -70.41 -38.37 74.63 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.513 1.133 . . . . 74.04 109.295 179.993 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 37' ' ' ILE . . . . . 0.665 HD13 HD11 ' A' ' 45' ' ' ILE . 0.4 OUTLIER -88.49 -3.9 9.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.448 1.092 . . . . 72.14 109.294 -179.995 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 38' ' ' SER . . . . . 0.4 ' C ' ' O ' ' A' ' 37' ' ' ILE . 27.4 t . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.521 1.138 . . . . 43.12 110.022 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo . . . . . 0 N--CA 1.453 -0.88 0 N-CA-C 111.002 -0.422 . . . . 75.12 111.002 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 45' ' ' ILE . . . . . 0.718 HD12 ' O ' ' A' ' 45' ' ' ILE . 1.4 pp -116.89 117.37 55.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 O-C-N 124.537 1.148 . . . . 74.31 109.305 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 6.8 p -99.51 36.36 1.78 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.493 1.12 . . . . 75.31 110.43 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -168.96 126.9 1.0 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.467 1.104 . . . . 64.53 109.299 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.576 ' CD1' HD11 ' A' ' 29' ' ' LEU . 4.4 pt -125.18 149.5 29.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.472 1.108 . . . . 73.31 109.27 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 1.2 ttmp? -110.84 108.81 18.75 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.477 1.111 . . . . 75.21 109.339 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 50' ' ' TYR . . . . . 0.673 ' HB2' HD21 ' A' ' 81' ' ' LEU . 9.7 p90 -100.48 149.9 23.21 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.475 1.109 . . . . 74.41 111.019 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 44.7 tt0 -85.73 154.26 21.75 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.488 1.118 . . . . 64.42 110.34 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 7.5 t0 -115.58 -174.9 2.6 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.487 1.117 . . . . 74.22 109.323 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 2.4 pp20? -68.93 -34.34 75.21 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.503 1.127 . . . . 74.04 110.329 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 37.1 t70 -64.97 -16.02 62.9 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.468 1.105 . . . . 73.04 109.287 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 85.77 8.82 79.18 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.549 1.155 . . . . 63.4 111.003 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 2.7 t70 -99.13 139.46 34.74 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.496 0.763 . . . . 74.43 109.291 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 21.8 p90 -70.11 143.33 52.42 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.488 1.118 . . . . 74.22 110.989 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.491 HG23 ' CE1' ' A' ' 50' ' ' TYR . 0.1 OUTLIER -145.91 135.12 17.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.481 1.113 . . . . 71.54 109.256 -179.974 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 4.3 p -67.01 155.02 7.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.517 1.136 . . . . 61.41 109.354 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.981 HD12 ' N ' ' A' ' 61' ' ' GLY . 0.3 OUTLIER -141.33 122.86 15.06 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.508 1.13 . . . . 64.44 109.275 -179.95 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 61' ' ' GLY . . . . . 0.981 ' N ' HD12 ' A' ' 60' ' ' LEU . . . -165.12 28.75 0.2 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.549 1.155 . . . . 60.34 110.936 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 11.8 m -161.85 162.71 29.44 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.495 0.762 . . . . 52.31 110.005 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 63' ' ' ASP . . . . . 0.443 ' OD1' ' ND2' ' A' ' 67' ' ' ASN . 25.4 t70 -65.34 -20.99 66.64 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.509 1.131 . . . . 61.02 109.339 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 64' ' ' GLU . . . . . 0.428 ' OE1' HG21 ' A' ' 68' ' ' VAL . 18.2 tp10 -77.1 -18.69 57.8 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.459 1.099 . . . . 71.34 110.322 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 65' ' ' ASP . . . . . 0.473 ' CB ' HD13 ' A' ' 60' ' ' LEU . 4.1 m-20 -108.05 -13.69 14.89 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.542 1.151 . . . . 71.33 109.283 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 66' ' ' TRP . . . . . 0.596 ' CZ3' ' OD1' ' A' ' 67' ' ' ASN . 8.3 t90 -90.81 -28.51 18.16 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.558 1.161 . . . . 74.44 107.973 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 67' ' ' ASN . . . . . 0.596 ' OD1' ' CZ3' ' A' ' 66' ' ' TRP . 42.0 m-20 -89.6 -49.2 6.8 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.472 1.107 . . . . 73.1 109.279 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 68' ' ' VAL . . . . . 0.428 HG21 ' OE1' ' A' ' 64' ' ' GLU . 62.9 t -62.1 -15.32 13.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.48 1.113 . . . . 62.24 109.324 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 69' ' ' ALA . . . . . 0.446 ' CB ' ' CE2' ' A' ' 50' ' ' TYR . . . -91.96 -40.21 11.25 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.531 1.144 . . . . 42.34 109.32 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 70' ' ' LYS . . . . . 0.485 ' HZ1' ' HA ' ' A' ' 67' ' ' ASN . 10.8 mtmm -66.87 -58.84 4.22 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.501 1.126 . . . . 73.41 109.323 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 76.7 mt-10 -44.24 -27.73 0.45 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.518 1.136 . . . . 74.14 110.283 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 1.5 tpt -69.18 -42.1 76.28 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.535 1.147 . . . . 72.22 111.0 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.495 HD11 HD12 ' A' ' 81' ' ' LEU . 5.2 mt -54.03 -45.21 71.53 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.512 1.132 . . . . 71.13 109.29 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -56.79 -32.99 66.22 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.499 1.124 . . . . 71.2 109.294 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 53.2 mt-10 -84.7 -21.42 30.15 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.564 1.165 . . . . 70.24 110.312 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 81.4 m-20 -89.83 -14.03 35.27 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.462 1.102 . . . . 72.25 109.261 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 25.0 m-80 60.8 39.83 16.67 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.522 1.139 . . . . 70.52 109.272 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -121.22 154.95 35.61 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.522 1.138 . . . . 72.34 110.332 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 15.3 mmtp -113.37 15.32 19.22 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.493 1.12 . . . . 74.33 109.302 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 8.0 p90 -135.81 174.18 10.9 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.467 1.104 . . . . 73.11 111.014 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.749 HD23 ' H ' ' A' ' 82' ' ' ASN . 1.2 tt -140.4 166.36 24.93 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.506 1.129 . . . . 70.04 109.308 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 82' ' ' ASN . . . . . 0.749 ' H ' HD23 ' A' ' 81' ' ' LEU . 1.4 t30 -127.24 107.65 10.19 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.492 1.12 . . . . 53.2 109.326 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 83' ' ' ILE . . . . . 0.737 HD11 HD22 ' A' ' 81' ' ' LEU . 17.6 mm -108.7 149.82 11.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.482 1.114 . . . . 61.21 109.294 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 19.3 ttm-85 -116.44 146.86 42.22 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.523 1.139 . . . . 75.34 110.343 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.635 HD21 HG12 ' A' ' 45' ' ' ILE . 7.2 tp -145.68 116.22 7.62 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.489 1.118 . . . . 44.11 109.287 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 29.0 p90 . . . . . 0 C--N 1.324 -0.51 0 O-C-N 124.569 1.168 . . . . 74.51 110.98 179.997 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 4' ' ' SER . . . . . 0.787 ' N ' ' HZ2' ' A' ' 22' ' ' LYS . 0.7 OUTLIER . . . . . 0 N--CA 1.452 -0.327 0 N-CA-C 109.995 -0.372 . . . . 72.41 109.995 . . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 18.2 mt -122.84 144.98 30.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.479 1.112 . . . . 73.43 109.296 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.89 HD22 ' H ' ' A' ' 7' ' ' PHE . 0.9 OUTLIER -103.35 145.02 30.59 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.445 1.091 . . . . 73.24 109.304 179.989 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 7' ' ' PHE . . . . . 0.89 ' H ' HD22 ' A' ' 6' ' ' LEU . 1.8 m-85 -124.14 120.14 31.47 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.476 1.11 . . . . 72.21 110.993 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 8' ' ' ARG . . . . . 0.456 ' CG ' ' HA ' ' A' ' 82' ' ' ASN . 3.8 ptp85 -106.25 77.38 1.22 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.494 1.121 . . . . 73.52 110.288 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.475 ' CG2' HD12 ' A' ' 85' ' ' LEU . 3.1 mp -47.16 108.77 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.502 1.126 . . . . 75.23 109.346 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 29.9 m . . . . . 0 C--N 1.325 -0.494 0 O-C-N 124.501 1.126 . . . . 73.34 110.027 179.986 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 8.8 mm . . . . . 0 N--CA 1.453 -0.318 0 N-CA-C 109.296 -0.631 . . . . 74.52 109.296 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 16' ' ' PHE . . . . . 0.462 ' O ' ' N ' ' A' ' 9' ' ' ILE . 5.8 t80 -157.84 146.16 19.01 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.538 1.149 . . . . 61.15 111.004 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 1.8 p -107.87 157.65 18.0 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.513 1.133 . . . . 75.3 110.407 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.644 HD13 ' O ' ' A' ' 18' ' ' LEU . 0.3 OUTLIER -165.39 119.81 1.26 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.529 1.143 . . . . 41.22 109.323 -179.981 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.665 HD13 ' N ' ' A' ' 20' ' ' VAL . 0.2 OUTLIER -77.16 127.04 31.93 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.492 1.12 . . . . 62.31 109.337 179.984 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.665 ' N ' HD13 ' A' ' 19' ' ' LEU . 14.6 p -129.74 121.8 53.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.503 1.127 . . . . 72.21 109.297 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 21' ' ' GLU . . . . . 0.524 ' HB3' HG12 ' A' ' 23' ' ' VAL . 42.5 mt-10 -63.26 165.13 7.8 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.498 1.124 . . . . 72.21 110.286 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 22' ' ' LYS . . . . . 0.787 ' HZ2' ' N ' ' A' ' 4' ' ' SER . 13.9 mttt -89.35 13.9 12.46 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.502 1.126 . . . . 63.34 109.305 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.524 HG12 ' HB3' ' A' ' 21' ' ' GLU . 0.2 OUTLIER -110.9 -34.51 2.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.469 1.105 . . . . 74.2 109.324 -179.992 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 24' ' ' TRP . . . . . 0.516 ' CD1' ' HB2' ' A' ' 21' ' ' GLU . 13.3 m0 -58.5 100.47 0.06 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.51 1.131 . . . . 64.42 107.984 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 25' ' ' ASN . . . . . 0.443 ' OD1' ' CB ' ' A' ' 27' ' ' ASP . 22.8 p30 -55.26 -174.55 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.454 1.096 . . . . 65.42 109.313 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 7.8 p90 -61.54 -28.37 69.28 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.524 1.14 . . . . 73.44 111.005 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 27' ' ' ASP . . . . . 0.443 ' CB ' ' OD1' ' A' ' 25' ' ' ASN . 1.6 t70 -67.26 -65.9 0.63 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.5 1.125 . . . . 63.32 109.346 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 28' ' ' ASP . . . . . 0.448 ' O ' ' HB2' ' A' ' 32' ' ' ALA . 5.3 m-20 -56.88 -34.93 68.36 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.452 1.095 . . . . 74.54 109.307 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.951 HD21 HD21 ' A' ' 60' ' ' LEU . 0.6 OUTLIER -55.75 -47.26 77.28 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.462 1.101 . . . . 70.45 109.248 179.998 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 30' ' ' ILE . . . . . 0.58 HD11 HG12 ' A' ' 48' ' ' ILE . 25.2 mm -70.72 -52.39 28.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.559 1.162 . . . . 62.35 109.282 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 9.2 mmt -60.09 -16.04 28.35 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.47 1.106 . . . . 62.0 110.997 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 32' ' ' ALA . . . . . 0.448 ' HB2' ' O ' ' A' ' 28' ' ' ASP . . . -75.95 -66.78 0.75 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.503 1.127 . . . . 72.02 109.257 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.507 ' H ' HD12 ' A' ' 33' ' ' ILE . 4.3 mp -61.01 -30.27 47.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.527 1.142 . . . . 73.24 109.317 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -65.83 -11.54 47.24 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.473 1.108 . . . . 60.35 109.315 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 17.8 t -103.27 -30.8 10.42 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.534 1.146 . . . . 75.31 109.998 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 36' ' ' LYS . . . . . 0.568 ' HE2' HD23 ' A' ' 18' ' ' LEU . 16.3 mmtm -74.09 -36.65 64.29 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.535 1.147 . . . . 70.15 109.301 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 37' ' ' ILE . . . . . 0.497 HG23 ' O ' ' A' ' 33' ' ' ILE . 5.9 pt -86.29 -7.9 11.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.529 1.143 . . . . 71.15 109.327 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 2.7 p . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.478 1.112 . . . . 62.45 109.918 -179.943 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo . . . . . 0 N--CA 1.453 -0.858 0 N-CA-C 110.97 -0.434 . . . . 74.12 110.97 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 45' ' ' ILE . . . . . 0.71 HD12 ' O ' ' A' ' 45' ' ' ILE . 1.5 pp -144.27 104.84 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.533 1.146 . . . . 75.44 109.328 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 6.2 t -79.39 2.94 19.9 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.493 1.12 . . . . 74.4 110.355 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 47' ' ' LYS . . . . . 0.53 ' HD2' HG21 ' A' ' 59' ' ' VAL . 18.0 mmtp -126.6 123.11 36.89 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.508 1.13 . . . . 74.54 109.294 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.58 HG12 HD11 ' A' ' 30' ' ' ILE . 11.7 pt -123.27 120.13 59.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.544 1.153 . . . . 70.31 109.282 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 24.7 mttp -88.56 91.72 8.91 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.532 1.145 . . . . 60.42 109.296 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 50' ' ' TYR . . . . . 0.602 ' CE1' HG23 ' A' ' 58' ' ' VAL . 9.5 p90 -86.09 148.62 25.62 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.453 1.096 . . . . 74.14 111.006 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 40.8 tt0 -77.31 156.37 31.37 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.461 1.101 . . . . 72.22 110.25 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 2.1 p-10 -122.52 -177.29 3.59 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.472 1.107 . . . . 73.42 109.3 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 19.1 pt-20 -60.31 -46.1 91.06 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.458 1.099 . . . . 72.12 110.308 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 7.9 t70 -50.63 -25.67 4.48 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.473 1.108 . . . . 73.35 109.304 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 95.65 12.05 54.2 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.495 1.122 . . . . 53.23 110.979 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 6.2 t70 -103.03 171.58 7.3 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.511 0.771 . . . . 74.33 109.289 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 96.9 m-85 -99.0 139.18 35.02 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.492 1.12 . . . . 64.42 110.968 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.602 HG23 ' CE1' ' A' ' 50' ' ' TYR . 0.2 OUTLIER -138.92 139.98 39.54 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.475 1.11 . . . . 51.41 109.32 179.993 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 59' ' ' VAL . . . . . 0.53 HG21 ' HD2' ' A' ' 47' ' ' LYS . 12.2 p -66.28 144.15 14.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.489 1.118 . . . . 72.13 109.334 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.951 HD21 HD21 ' A' ' 29' ' ' LEU . 1.2 tp -131.01 112.49 12.97 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.508 1.13 . . . . 70.22 109.327 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 61' ' ' GLY . . . . . 0.488 ' N ' HD12 ' A' ' 60' ' ' LEU . . . -151.89 24.01 0.91 Allowed Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.494 1.121 . . . . 61.44 111.016 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -148.21 157.24 43.38 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.508 0.77 . . . . 64.03 110.011 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 63' ' ' ASP . . . . . 0.428 ' O ' ' N ' ' A' ' 67' ' ' ASN . 1.4 p30 -65.13 -31.6 72.88 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.496 1.122 . . . . 74.13 109.284 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 64' ' ' GLU . . . . . 0.621 ' O ' HG23 ' A' ' 68' ' ' VAL . 46.2 mt-10 -72.61 -32.83 66.25 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.503 1.127 . . . . 43.24 110.299 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -83.64 -15.52 48.61 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.544 1.153 . . . . 63.42 109.275 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 66' ' ' TRP . . . . . 0.742 ' HB2' HD11 ' A' ' 60' ' ' LEU . 10.9 t-105 -100.24 -23.68 14.75 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.507 1.13 . . . . 71.4 107.99 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 67' ' ' ASN . . . . . 0.428 ' N ' ' O ' ' A' ' 63' ' ' ASP . 5.9 t30 -88.68 -48.79 7.28 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.469 1.105 . . . . 75.0 109.256 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 68' ' ' VAL . . . . . 0.621 HG23 ' O ' ' A' ' 64' ' ' GLU . 76.9 t -60.3 -25.27 33.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.514 1.134 . . . . 62.42 109.293 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 69' ' ' ALA . . . . . 0.48 ' CB ' ' CE2' ' A' ' 50' ' ' TYR . . . -78.57 -48.29 15.51 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.502 1.126 . . . . 73.01 109.269 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 70' ' ' LYS . . . . . 0.437 ' HD3' ' CZ2' ' A' ' 66' ' ' TRP . 28.9 mtmt -52.77 -53.75 43.74 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.514 1.134 . . . . 73.42 109.294 -179.951 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 31.2 mm-40 -54.18 -19.37 5.01 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.528 1.142 . . . . 71.02 110.295 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 72' ' ' MET . . . . . 0.405 ' O ' ' N ' ' A' ' 76' ' ' ASN . 5.2 ttm -78.45 -34.73 47.57 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.477 1.111 . . . . 54.44 110.981 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.688 HD13 ' CG ' ' A' ' 78' ' ' GLU . 0.5 OUTLIER -48.62 -59.38 3.57 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.47 1.106 . . . . 71.54 109.283 -179.974 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -50.62 -30.87 14.47 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.503 1.127 . . . . 51.53 109.259 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 11.4 mt-10 -80.91 -26.75 36.54 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.475 1.109 . . . . 72.2 110.33 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 76' ' ' ASN . . . . . 0.423 ' C ' ' N ' ' A' ' 78' ' ' GLU . 88.9 m-20 -87.9 11.22 16.27 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.489 1.118 . . . . 72.12 109.259 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 39.8 m-80 40.46 30.1 0.08 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.489 1.118 . . . . 71.44 109.316 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 78' ' ' GLU . . . . . 0.688 ' CG ' HD13 ' A' ' 73' ' ' LEU . 9.0 pt-20 -113.47 164.27 13.83 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.453 1.096 . . . . 74.12 110.28 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 36.4 mtmt -126.62 15.19 7.59 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.481 1.113 . . . . 73.42 109.292 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 80' ' ' PHE . . . . . 0.527 ' CE1' ' HB2' ' A' ' 78' ' ' GLU . 1.3 p90 -135.65 173.91 11.19 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.514 1.134 . . . . 42.31 110.973 -179.948 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.738 HD12 ' CE1' ' A' ' 7' ' ' PHE . 1.5 tm? -147.02 150.72 35.67 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.487 1.117 . . . . 72.42 109.307 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 82' ' ' ASN . . . . . 0.61 ' N ' HD13 ' A' ' 81' ' ' LEU . 0.7 OUTLIER -126.83 148.2 49.98 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.555 1.16 . . . . 71.42 109.281 -179.957 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 83' ' ' ILE . . . . . 0.565 HD11 ' CE2' ' A' ' 7' ' ' PHE . 36.9 mm -122.76 159.01 26.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.52 1.137 . . . . 71.12 109.326 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 43.5 ttt-85 -127.01 116.84 21.36 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.435 1.085 . . . . 74.52 110.325 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.475 HD12 ' CG2' ' A' ' 9' ' ' ILE . 11.8 mt -110.8 133.85 53.0 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 73.02 109.309 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 9.1 t80 . . . . . 0 C--N 1.324 -0.513 0 O-C-N 124.535 1.147 . . . . 73.1 110.983 -179.997 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.453 -0.297 0 N-CA-C 109.992 -0.373 . . . . 71.34 109.992 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 5' ' ' ILE . . . . . 0.427 HD12 ' HG2' ' A' ' 22' ' ' LYS . 23.8 mt -123.01 145.75 29.4 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.503 1.127 . . . . 64.14 109.257 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.831 HD22 ' H ' ' A' ' 7' ' ' PHE . 0.9 OUTLIER -102.95 147.2 27.23 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.524 1.14 . . . . 73.42 109.292 -179.99 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 7' ' ' PHE . . . . . 0.831 ' H ' HD22 ' A' ' 6' ' ' LEU . 1.6 m-85 -123.76 112.62 17.54 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.45 1.094 . . . . 34.42 111.002 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 8' ' ' ARG . . . . . 0.456 ' HG2' ' CG2' ' A' ' 15' ' ' ILE . 41.9 ttp180 -92.72 85.18 5.15 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.531 1.144 . . . . 74.1 110.289 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.603 ' H ' HD12 ' A' ' 9' ' ' ILE . 4.3 mp -65.28 161.86 2.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.508 1.13 . . . . 74.44 109.286 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 10' ' ' SER . . . . . 0.447 ' O ' ' N ' ' A' ' 85' ' ' LEU . 1.6 p . . . . . 0 C--N 1.325 -0.497 0 O-C-N 124.527 1.142 . . . . 75.23 109.99 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.456 ' CG2' ' HG2' ' A' ' 8' ' ' ARG . 1.0 OUTLIER . . . . . 0 N--CA 1.453 -0.314 0 N-CA-C 109.296 -0.631 . . . . 75.43 109.296 . . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 31.9 m-85 -115.59 176.68 4.97 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.454 1.096 . . . . 61.24 110.97 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.672 ' HB ' HD21 ' A' ' 6' ' ' LEU . 7.8 p -131.87 146.78 52.32 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.479 1.112 . . . . 74.12 110.361 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.692 HD23 ' CE ' ' A' ' 36' ' ' LYS . 1.5 tm? -147.08 122.18 10.13 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.506 1.129 . . . . 63.1 109.314 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.527 HD13 ' N ' ' A' ' 20' ' ' VAL . 0.3 OUTLIER -75.6 120.91 21.65 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.518 1.136 . . . . 75.05 109.277 -179.977 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.544 HG23 ' CE3' ' A' ' 24' ' ' TRP . 15.0 p -127.0 117.54 47.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.525 1.141 . . . . 64.14 109.296 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 21' ' ' GLU . . . . . 0.555 ' OE2' ' CZ2' ' A' ' 24' ' ' TRP . 1.4 mp0 -56.58 167.87 0.66 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.476 1.11 . . . . 70.24 110.277 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 22' ' ' LYS . . . . . 0.427 ' HG2' HD12 ' A' ' 5' ' ' ILE . 17.5 mttt -89.85 15.67 9.45 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.514 1.134 . . . . 73.13 109.296 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.527 HG12 ' HB3' ' A' ' 21' ' ' GLU . 0.2 OUTLIER -113.71 -35.68 2.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.533 1.146 . . . . 72.21 109.306 179.982 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 24' ' ' TRP . . . . . 0.555 ' CZ2' ' OE2' ' A' ' 21' ' ' GLU . 15.6 m0 -54.51 93.06 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 107.98 -1.119 . . . . 73.44 107.98 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 25' ' ' ASN . . . . . 0.439 ' N ' ' O ' ' A' ' 23' ' ' VAL . 26.3 p-10 -51.4 176.9 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.468 1.105 . . . . 74.22 109.293 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 26' ' ' PHE . . . . . 0.403 ' CG ' ' N ' ' A' ' 27' ' ' ASP . 29.9 p90 -50.02 -35.38 24.55 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.464 1.103 . . . . 73.01 110.999 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 27' ' ' ASP . . . . . 0.403 ' N ' ' CG ' ' A' ' 26' ' ' PHE . 0.9 OUTLIER -62.91 -71.99 0.15 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.566 1.166 . . . . 75.41 109.257 -179.984 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -51.68 -22.68 3.63 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.515 1.134 . . . . 64.2 109.255 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.781 HD21 HD21 ' A' ' 60' ' ' LEU . 1.0 OUTLIER -69.68 -58.42 3.94 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.459 1.1 . . . . 63.31 109.297 -179.991 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 30' ' ' ILE . . . . . 0.425 HD13 ' HA ' ' A' ' 30' ' ' ILE . 13.5 mm -56.92 -21.16 13.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.462 1.101 . . . . 75.43 109.312 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 16.0 mtp -90.48 -22.44 21.37 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.494 1.121 . . . . 35.24 111.011 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 32' ' ' ALA . . . . . 0.512 ' HB1' HD11 ' A' ' 18' ' ' LEU . . . -69.24 -39.76 78.3 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.454 1.096 . . . . 63.14 109.265 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.661 HD11 ' CD2' ' A' ' 7' ' ' PHE . 2.5 mp -82.95 -43.96 18.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.46 1.1 . . . . 74.4 109.276 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 2.4 m120 -60.17 -16.01 29.05 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.53 1.144 . . . . 62.01 109.334 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 9.6 t -79.62 -36.66 37.61 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.465 1.103 . . . . 52.34 109.991 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 36' ' ' LYS . . . . . 0.692 ' CE ' HD23 ' A' ' 18' ' ' LEU . 1.1 mptp? -75.64 -48.81 20.58 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.471 1.107 . . . . 64.24 109.31 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 37' ' ' ILE . . . . . 0.639 ' CD1' HD11 ' A' ' 45' ' ' ILE . 0.7 OUTLIER -74.52 -4.22 5.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.534 1.147 . . . . 74.44 109.282 -179.945 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 28.9 t . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.502 1.126 . . . . 54.55 110.036 179.933 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo . . . . . 0 N--CA 1.453 -0.889 0 N-CA-C 110.981 -0.43 . . . . 54.11 110.981 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 45' ' ' ILE . . . . . 0.65 HG12 HD22 ' A' ' 85' ' ' LEU . 1.4 pp -121.04 99.73 7.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.488 1.117 . . . . 72.41 109.307 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 13.6 p -63.38 -22.95 67.19 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.522 1.139 . . . . 75.34 110.375 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 18.2 ptmt -118.57 144.37 46.14 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.545 1.153 . . . . 71.14 109.256 -179.946 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 1.082 HG22 HD21 ' A' ' 85' ' ' LEU . 2.5 pp -135.54 154.49 35.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.511 1.132 . . . . 74.33 109.254 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 22.9 ttmt -114.28 129.63 56.64 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.448 1.093 . . . . 65.43 109.294 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 50' ' ' TYR . . . . . 0.745 ' HB2' HD11 ' A' ' 81' ' ' LEU . 8.9 p90 -118.84 148.85 42.43 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.536 1.147 . . . . 75.5 111.042 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 51' ' ' GLN . . . . . 0.419 ' CG ' ' HA2' ' A' ' 55' ' ' GLY . 38.8 tt0 -77.45 148.78 35.23 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.516 1.135 . . . . 73.31 110.267 -179.944 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 52' ' ' ASP . . . . . 0.447 ' OD1' ' N ' ' A' ' 54' ' ' ASP . 7.3 p30 -117.23 -174.13 2.54 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.493 1.121 . . . . 65.33 109.304 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 53' ' ' GLU . . . . . 0.686 ' HA ' HD22 ' A' ' 76' ' ' ASN . 9.9 pt-20 -62.58 -31.33 72.13 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.526 1.141 . . . . 62.14 110.291 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 54' ' ' ASP . . . . . 0.447 ' N ' ' OD1' ' A' ' 52' ' ' ASP . 0.8 OUTLIER -84.75 7.38 20.82 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.457 1.098 . . . . 61.24 109.33 -179.994 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 55' ' ' GLY . . . . . 0.419 ' HA2' ' CG ' ' A' ' 51' ' ' GLN . . . 57.05 16.41 18.48 Favored Glycine 0 CA--C 1.531 1.074 0 O-C-N 124.501 1.126 . . . . 73.54 110.965 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -94.53 102.39 14.32 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.519 0.776 . . . . 73.21 109.333 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 3.6 p90 -44.53 117.19 1.21 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.505 1.128 . . . . 73.31 111.019 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.653 HG23 ' CE1' ' A' ' 50' ' ' TYR . 0.1 OUTLIER -118.8 136.67 55.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.459 1.1 . . . . 73.3 109.318 180.0 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 8.9 p -61.32 157.42 3.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.481 1.113 . . . . 64.42 109.318 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.781 HD21 HD21 ' A' ' 29' ' ' LEU . 5.2 tp -144.93 111.97 5.95 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.495 1.122 . . . . 75.13 109.311 179.933 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -155.44 23.26 0.57 Allowed Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.505 1.128 . . . . 23.12 110.996 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 2.3 p -152.31 174.73 13.45 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.543 0.79 . . . . 63.44 109.998 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -78.44 -29.83 47.19 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.508 1.13 . . . . 61.42 109.302 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 64' ' ' GLU . . . . . 0.488 ' O ' ' CG2' ' A' ' 68' ' ' VAL . 6.8 tt0 -71.48 -13.88 61.95 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.467 1.105 . . . . 74.54 110.316 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 65' ' ' ASP . . . . . 0.443 ' O ' ' HB2' ' A' ' 69' ' ' ALA . 0.6 OUTLIER -111.96 -15.55 13.29 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.496 1.123 . . . . 75.13 109.31 -179.997 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 66' ' ' TRP . . . . . 0.571 ' CZ2' ' NZ ' ' A' ' 70' ' ' LYS . 0.1 OUTLIER -94.3 -23.68 17.74 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.544 1.152 . . . . 74.5 108.009 -179.975 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 7.8 t30 -95.02 -50.24 5.18 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.49 1.119 . . . . 64.24 109.315 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 68' ' ' VAL . . . . . 0.488 ' CG2' ' O ' ' A' ' 64' ' ' GLU . 87.2 t -61.15 -15.78 13.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.474 1.108 . . . . 73.34 109.283 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 69' ' ' ALA . . . . . 0.513 ' O ' HD23 ' A' ' 73' ' ' LEU . . . -84.88 -38.69 19.13 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.482 1.114 . . . . 73.12 109.284 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 70' ' ' LYS . . . . . 0.571 ' NZ ' ' CZ2' ' A' ' 66' ' ' TRP . 52.1 mttt -65.87 -55.45 16.94 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.543 1.152 . . . . 63.44 109.333 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 8.7 pt-20 -44.48 -26.29 0.34 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.472 1.108 . . . . 73.22 110.255 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 72' ' ' MET . . . . . 0.401 ' N ' ' C ' ' A' ' 70' ' ' LYS . 0.7 OUTLIER -79.92 -39.87 29.4 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.49 1.119 . . . . 74.1 110.99 -179.989 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.873 HD13 ' CG ' ' A' ' 78' ' ' GLU . 0.4 OUTLIER -50.92 -62.95 1.3 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.539 1.149 . . . . 65.02 109.298 -179.974 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -49.87 -31.62 12.48 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.519 1.137 . . . . 72.22 109.314 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 7.6 mt-10 -75.36 -30.51 60.22 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.549 1.156 . . . . 75.23 110.26 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 76' ' ' ASN . . . . . 0.686 HD22 ' HA ' ' A' ' 53' ' ' GLU . 3.2 m-20 -88.12 11.9 15.02 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.572 1.17 . . . . 51.4 109.328 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 3.6 m-80 40.42 36.11 0.33 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.517 1.136 . . . . 65.3 109.329 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 78' ' ' GLU . . . . . 0.873 ' CG ' HD13 ' A' ' 73' ' ' LEU . 7.8 pt-20 -113.91 144.78 42.48 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.482 1.113 . . . . 72.13 110.332 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 5.7 mtmp? -111.38 19.74 17.95 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.52 1.138 . . . . 65.4 109.311 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 3.1 p90 -141.44 158.12 44.28 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.49 1.119 . . . . 75.41 111.05 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.858 HD13 ' N ' ' A' ' 82' ' ' ASN . 1.5 tm? -133.19 164.11 27.79 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.458 1.099 . . . . 63.13 109.296 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 82' ' ' ASN . . . . . 0.858 ' N ' HD13 ' A' ' 81' ' ' LEU . 7.6 t-20 -132.09 138.2 48.04 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.492 1.12 . . . . 73.04 109.319 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 83' ' ' ILE . . . . . 0.565 HG13 ' CD2' ' A' ' 7' ' ' PHE . 25.9 mm -131.09 136.43 57.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.491 1.12 . . . . 74.12 109.306 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 23.1 ttt180 -111.57 150.06 30.56 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.488 1.118 . . . . 65.44 110.337 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 1.082 HD21 HG22 ' A' ' 48' ' ' ILE . 96.0 mt -134.17 127.31 31.75 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.543 1.152 . . . . 75.11 109.276 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 86' ' ' TYR . . . . . 0.506 ' O ' ' CD1' ' A' ' 86' ' ' TYR . 10.9 t80 . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.526 1.141 . . . . 72.51 111.004 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 4' ' ' SER . . . . . 0.734 ' HB2' HD11 ' A' ' 19' ' ' LEU . 0.7 OUTLIER . . . . . 0 N--CA 1.453 -0.314 0 N-CA-C 110.0 -0.37 . . . . 75.35 110.0 . . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 5' ' ' ILE . . . . . 0.496 ' CG2' ' N ' ' A' ' 6' ' ' LEU . 7.8 mt -118.78 164.08 15.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.478 1.112 . . . . 72.12 109.261 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.717 HD22 ' H ' ' A' ' 7' ' ' PHE . 1.9 tm? -123.06 147.05 47.15 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.506 1.129 . . . . 74.12 109.253 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 7' ' ' PHE . . . . . 1.145 ' CE2' HG11 ' A' ' 20' ' ' VAL . 15.5 m-85 -136.63 116.27 12.95 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.484 1.115 . . . . 75.21 110.974 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 8' ' ' ARG . . . . . 0.453 ' HB2' ' CG2' ' A' ' 15' ' ' ILE . 4.2 ptm180 -86.69 53.41 2.81 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.449 1.093 . . . . 71.1 110.315 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.834 ' CG2' HD12 ' A' ' 85' ' ' LEU . 5.8 mt -44.11 111.38 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.505 1.128 . . . . 71.13 109.31 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 10' ' ' SER . . . . . 0.707 ' HB2' HD13 ' A' ' 15' ' ' ILE . 0.3 OUTLIER . . . . . 0 C--N 1.324 -0.509 0 O-C-N 124.526 1.141 . . . . 65.31 109.988 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.707 HD13 ' HB2' ' A' ' 10' ' ' SER . 1.7 mm . . . . . 0 N--CA 1.453 -0.29 0 N-CA-C 109.315 -0.624 . . . . 55.53 109.315 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' PHE . . . . . 0.456 ' O ' ' N ' ' A' ' 9' ' ' ILE . 25.1 m-85 -129.94 130.0 44.53 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.489 1.118 . . . . 73.33 110.981 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.539 ' HB ' HD21 ' A' ' 6' ' ' LEU . 2.2 p -97.05 129.04 44.54 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.488 1.117 . . . . 62.01 110.399 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.694 ' C ' HD23 ' A' ' 18' ' ' LEU . 4.2 tt -132.01 124.85 30.14 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.464 1.103 . . . . 74.1 109.348 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.734 HD11 ' HB2' ' A' ' 4' ' ' SER . 0.3 OUTLIER -80.77 113.5 19.01 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.486 1.116 . . . . 64.51 109.298 -179.963 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 1.145 HG11 ' CE2' ' A' ' 7' ' ' PHE . 14.3 p -106.49 140.21 25.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.504 1.128 . . . . 74.44 109.307 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 21' ' ' GLU . . . . . 0.567 ' HB2' ' CD1' ' A' ' 24' ' ' TRP . 53.3 mt-10 -81.17 161.46 24.03 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.511 1.132 . . . . 75.11 110.302 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 22' ' ' LYS . . . . . 0.44 ' CG ' ' HA ' ' A' ' 4' ' ' SER . 0.6 OUTLIER -89.38 14.93 10.05 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.478 1.111 . . . . 73.02 109.316 179.995 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.506 HG13 ' CD1' ' A' ' 24' ' ' TRP . 0.2 OUTLIER -115.09 -37.33 2.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 O-C-N 124.46 1.1 . . . . 50.44 109.322 179.98 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 24' ' ' TRP . . . . . 0.567 ' CD1' ' HB2' ' A' ' 21' ' ' GLU . 9.1 m0 -58.31 105.41 0.28 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.552 1.157 . . . . 74.11 107.965 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 25' ' ' ASN . . . . . 0.511 ' HA ' ' CE2' ' A' ' 66' ' ' TRP . 20.1 p-10 -62.89 -178.68 0.22 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.527 1.142 . . . . 72.14 109.318 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 26' ' ' PHE . . . . . 0.432 ' CD1' ' N ' ' A' ' 27' ' ' ASP . 36.9 p90 -50.19 -36.15 29.41 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.489 1.118 . . . . 73.23 111.002 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 27' ' ' ASP . . . . . 0.432 ' N ' ' CD1' ' A' ' 26' ' ' PHE . 15.1 t70 -66.89 -73.0 0.14 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.483 1.114 . . . . 71.03 109.298 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 28' ' ' ASP . . . . . 0.416 ' CB ' ' HB3' ' A' ' 24' ' ' TRP . 43.1 m-20 -42.45 -32.98 0.6 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.52 1.137 . . . . 63.45 109.306 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.855 HD21 HD11 ' A' ' 48' ' ' ILE . 5.4 tp -57.8 -53.46 58.0 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.477 1.11 . . . . 55.35 109.316 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 30' ' ' ILE . . . . . 0.689 HG23 ' HA ' ' A' ' 46' ' ' THR . 17.5 mm -56.95 -51.14 72.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.496 1.122 . . . . 74.13 109.278 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 50.4 mmm -57.53 -27.07 62.28 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.564 1.165 . . . . 74.32 111.03 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 32' ' ' ALA . . . . . 0.562 ' HB3' ' O ' ' A' ' 29' ' ' LEU . . . -64.37 -54.76 27.77 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.506 1.129 . . . . 75.22 109.286 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.731 HD12 ' O ' ' A' ' 29' ' ' LEU . 5.0 mp -62.77 -43.2 98.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.539 1.149 . . . . 72.45 109.285 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 1.5 m-80 -62.49 -15.35 49.6 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.527 1.142 . . . . 73.02 109.302 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 8.5 t -87.23 -45.41 10.66 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.484 1.115 . . . . 61.34 110.001 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 36' ' ' LYS . . . . . 0.569 ' HG2' HD12 ' A' ' 18' ' ' LEU . 0.0 OUTLIER -65.46 -46.07 81.24 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.505 1.128 . . . . 72.05 109.286 -179.977 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 37' ' ' ILE . . . . . 0.637 HG23 ' O ' ' A' ' 33' ' ' ILE . 1.4 pt -75.79 -15.6 15.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.48 1.113 . . . . 70.1 109.317 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 20.5 t . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.124 . . . . 54.21 109.985 -179.996 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 44' ' ' PRO . . . . . 0.55 ' HA ' HD11 ' A' ' 37' ' ' ILE . 18.5 Cg_endo . . . . . 0 N--CA 1.452 -0.935 0 N-CA-C 111.025 -0.413 . . . . 64.12 111.025 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 45' ' ' ILE . . . . . 0.723 HD12 ' O ' ' A' ' 45' ' ' ILE . 1.4 pp -153.33 113.69 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.489 1.118 . . . . 74.04 109.26 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 46' ' ' THR . . . . . 0.689 ' HA ' HG23 ' A' ' 30' ' ' ILE . 38.6 p -91.63 35.04 0.95 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.49 1.119 . . . . 72.41 110.348 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 47' ' ' LYS . . . . . 0.436 ' O ' ' CG ' ' A' ' 47' ' ' LYS . 8.6 pttp -157.52 114.38 2.97 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.516 1.135 . . . . 53.34 109.331 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.855 HD11 HD21 ' A' ' 29' ' ' LEU . 7.5 pt -109.41 128.86 65.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.533 1.145 . . . . 71.34 109.309 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 49' ' ' LYS . . . . . 0.425 ' HD3' ' CB ' ' A' ' 57' ' ' PHE . 16.5 ttmm -95.34 103.49 15.36 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.491 1.12 . . . . 73.12 109.281 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 50' ' ' TYR . . . . . 0.876 ' HB2' HD11 ' A' ' 81' ' ' LEU . 8.7 p90 -95.53 146.98 24.04 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.487 1.117 . . . . 74.13 111.015 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 62.7 tt0 -73.95 152.2 40.16 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.473 1.108 . . . . 73.12 110.293 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 52' ' ' ASP . . . . . 0.44 ' OD2' ' CB ' ' A' ' 54' ' ' ASP . 9.8 p-10 -112.53 -177.55 3.18 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.519 1.137 . . . . 71.5 109.315 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 53' ' ' GLU . . . . . 0.401 ' N ' ' SD ' ' A' ' 72' ' ' MET . 17.4 pt-20 -64.77 -47.52 77.84 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.516 1.135 . . . . 74.54 110.251 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 54' ' ' ASP . . . . . 0.44 ' CB ' ' OD2' ' A' ' 52' ' ' ASP . 4.0 t0 -46.74 -28.64 1.58 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.518 1.136 . . . . 61.42 109.273 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 101.58 14.02 30.99 Favored Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.475 1.109 . . . . 61.3 110.992 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 15.2 t0 -104.63 -177.11 3.27 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.499 0.764 . . . . 70.34 109.331 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 57' ' ' PHE . . . . . 0.425 ' CB ' ' HD3' ' A' ' 49' ' ' LYS . 20.2 m-85 -108.94 139.39 43.86 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.522 1.139 . . . . 73.32 111.027 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -138.48 138.31 42.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.529 1.143 . . . . 50.43 109.262 -179.948 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 46.1 t -69.14 142.9 15.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.488 1.118 . . . . 74.03 109.345 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.815 HD21 ' CD2' ' A' ' 29' ' ' LEU . 0.3 OUTLIER -126.57 104.48 8.14 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.496 1.122 . . . . 74.31 109.314 -179.978 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 61' ' ' GLY . . . . . 0.503 ' N ' HD12 ' A' ' 60' ' ' LEU . . . -144.22 21.72 2.08 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.539 1.149 . . . . 63.24 110.965 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 1.4 m -147.56 175.78 10.59 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.487 0.757 . . . . 74.21 110.012 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 63' ' ' ASP . . . . . 0.444 ' O ' ' N ' ' A' ' 67' ' ' ASN . 1.1 p-10 -74.36 -29.56 61.62 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.495 1.122 . . . . 71.0 109.31 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 64' ' ' GLU . . . . . 0.631 ' O ' HG23 ' A' ' 68' ' ' VAL . 3.0 tt0 -66.88 -37.96 85.4 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.527 1.142 . . . . 73.22 110.327 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 9.0 m-20 -86.62 -14.29 43.15 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.5 1.125 . . . . 75.54 109.316 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 66' ' ' TRP . . . . . 0.597 ' CZ3' ' OD1' ' A' ' 67' ' ' ASN . 5.5 t90 -95.57 -19.18 19.99 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.52 1.138 . . . . 72.33 107.948 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 67' ' ' ASN . . . . . 0.597 ' OD1' ' CZ3' ' A' ' 66' ' ' TRP . 58.3 m-20 -98.38 -47.88 5.25 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.478 1.111 . . . . 65.42 109.282 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 68' ' ' VAL . . . . . 0.631 HG23 ' O ' ' A' ' 64' ' ' GLU . 85.4 t -62.73 -30.52 49.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.483 1.115 . . . . 54.45 109.312 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 69' ' ' ALA . . . . . 0.489 ' HB2' ' CE2' ' A' ' 50' ' ' TYR . . . -73.47 -20.31 60.73 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.426 1.079 . . . . 75.41 109.292 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 5.1 mtmp? -87.95 -56.59 3.27 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.48 1.112 . . . . 72.12 109.288 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 20.4 pt-20 -49.44 -30.86 8.7 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.553 1.158 . . . . 62.41 110.326 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 72' ' ' MET . . . . . 0.427 ' O ' ' N ' ' A' ' 75' ' ' GLU . 5.7 ttp -64.94 -46.58 81.0 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.499 1.124 . . . . 75.41 111.051 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.836 HD21 HD23 ' A' ' 81' ' ' LEU . 4.1 mt -45.89 -45.55 15.32 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.492 1.12 . . . . 52.23 109.286 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -64.15 -36.83 85.34 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.466 1.104 . . . . 72.15 109.285 -179.937 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 75' ' ' GLU . . . . . 0.427 ' N ' ' O ' ' A' ' 72' ' ' MET . 10.1 mm-40 -74.79 -21.65 59.19 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.477 1.11 . . . . 72.23 110.328 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 76' ' ' ASN . . . . . 0.493 ' CB ' ' OE1' ' A' ' 78' ' ' GLU . 3.3 m120 -95.86 -14.21 23.37 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.479 1.112 . . . . 52.15 109.264 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 8.3 m-80 61.39 33.9 18.55 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.53 1.144 . . . . 72.14 109.266 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 78' ' ' GLU . . . . . 0.493 ' OE1' ' CB ' ' A' ' 76' ' ' ASN . 9.1 pt-20 -109.82 168.34 9.49 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.528 1.143 . . . . 74.32 110.321 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 30.2 mmtp -126.4 18.21 7.58 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.487 1.117 . . . . 71.31 109.299 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 26.4 p90 -141.69 166.91 23.45 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.511 1.132 . . . . 71.04 110.957 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.876 HD11 ' HB2' ' A' ' 50' ' ' TYR . 2.1 tm? -143.94 150.55 38.51 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 72.25 109.322 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 82' ' ' ASN . . . . . 0.711 ' N ' HD13 ' A' ' 81' ' ' LEU . 1.0 OUTLIER -107.12 148.09 29.24 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.486 1.116 . . . . 61.12 109.332 179.936 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 83' ' ' ILE . . . . . 0.711 HD13 ' HA ' ' A' ' 50' ' ' TYR . 38.6 mm -137.65 157.1 33.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.481 1.113 . . . . 73.13 109.258 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 32.7 ttt-85 -132.74 148.1 52.33 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.491 1.119 . . . . 75.03 110.28 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.834 HD12 ' CG2' ' A' ' 9' ' ' ILE . 12.9 mt -140.14 122.04 15.54 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.457 1.098 . . . . 64.2 109.297 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 86' ' ' TYR . . . . . 0.62 ' CE1' HG21 ' A' ' 45' ' ' ILE . 1.6 p90 . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 74.43 111.008 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.453 -0.299 0 N-CA-C 110.037 -0.357 . . . . 73.44 110.037 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 5' ' ' ILE . . . . . 0.412 HG13 ' CE ' ' A' ' 22' ' ' LYS . 18.5 mt -130.3 144.84 36.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.52 1.137 . . . . 70.14 109.287 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.902 HD13 ' N ' ' A' ' 7' ' ' PHE . 3.2 tm? -100.63 148.6 24.66 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.466 1.104 . . . . 64.15 109.31 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 7' ' ' PHE . . . . . 0.902 ' N ' HD13 ' A' ' 6' ' ' LEU . 1.6 m-85 -124.82 115.3 20.46 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.505 1.128 . . . . 54.15 111.029 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 8' ' ' ARG . . . . . 0.469 ' HG2' ' CG2' ' A' ' 15' ' ' ILE . 10.3 ttp180 -94.13 81.2 4.07 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.471 1.107 . . . . 65.14 110.295 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.647 ' H ' HD12 ' A' ' 9' ' ' ILE . 4.6 mp -65.61 166.83 1.34 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.526 1.141 . . . . 74.14 109.302 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 10' ' ' SER . . . . . 0.506 ' N ' HG22 ' A' ' 9' ' ' ILE . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.527 1.142 . . . . 72.03 110.047 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.469 ' CG2' ' HG2' ' A' ' 8' ' ' ARG . 1.0 OUTLIER . . . . . 0 N--CA 1.454 -0.27 0 N-CA-C 109.269 -0.641 . . . . 54.14 109.269 . . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 56.5 m-85 -116.21 175.85 5.36 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.466 1.104 . . . . 70.33 110.97 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 37.0 p -126.54 154.15 44.23 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.514 1.134 . . . . 74.43 110.419 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.82 HD23 ' HE2' ' A' ' 36' ' ' LYS . 1.3 tm? -156.09 123.97 5.63 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.467 1.104 . . . . 72.41 109.298 -179.952 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.656 HD13 ' N ' ' A' ' 20' ' ' VAL . 0.2 OUTLIER -78.02 121.51 24.33 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.554 1.159 . . . . 64.43 109.322 179.944 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.656 ' N ' HD13 ' A' ' 19' ' ' LEU . 13.4 p -125.62 115.2 42.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.453 1.095 . . . . 71.03 109.316 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 21' ' ' GLU . . . . . 0.529 ' HB3' HG12 ' A' ' 23' ' ' VAL . 29.4 mm-40 -57.24 168.9 0.65 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.521 1.138 . . . . 74.34 110.28 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 22' ' ' LYS . . . . . 0.412 ' CE ' HG13 ' A' ' 5' ' ' ILE . 69.9 mttt -89.59 15.15 9.94 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.448 1.092 . . . . 72.34 109.267 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.529 HG12 ' HB3' ' A' ' 21' ' ' GLU . 0.2 OUTLIER -112.92 -37.19 2.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.521 1.138 . . . . 64.4 109.307 -179.981 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 24' ' ' TRP . . . . . 0.49 ' CD1' ' HB2' ' A' ' 21' ' ' GLU . 10.8 m0 -55.94 94.49 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 107.992 -1.114 . . . . 65.33 107.992 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 25' ' ' ASN . . . . . 0.435 ' OD1' ' N ' ' A' ' 25' ' ' ASN . 3.3 p-10 -53.8 176.05 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.478 1.111 . . . . 74.43 109.291 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 26' ' ' PHE . . . . . 0.41 ' CG ' ' N ' ' A' ' 27' ' ' ASP . 12.5 p90 -50.43 -34.13 23.47 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.531 1.144 . . . . 73.33 110.952 -179.947 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 27' ' ' ASP . . . . . 0.41 ' N ' ' CG ' ' A' ' 26' ' ' PHE . 33.6 t0 -64.35 -64.83 0.78 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.504 1.127 . . . . 71.11 109.299 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -55.61 -23.96 30.52 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.512 1.132 . . . . 75.41 109.253 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.584 HD12 ' CD1' ' A' ' 33' ' ' ILE . 4.4 tp -70.6 -56.27 6.89 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.535 1.147 . . . . 51.12 109.297 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 30' ' ' ILE . . . . . 0.693 HD11 HG12 ' A' ' 48' ' ' ILE . 18.9 mm -60.7 -20.17 20.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.491 1.119 . . . . 74.33 109.352 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 8.2 mmt -92.86 -23.96 18.63 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.511 1.132 . . . . 60.42 111.004 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -71.8 -48.49 46.05 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.504 1.128 . . . . 64.03 109.315 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.584 ' CD1' HD12 ' A' ' 29' ' ' LEU . 4.1 mp -73.24 -42.21 58.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.516 1.135 . . . . 62.15 109.282 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 34' ' ' ASN . . . . . 0.433 ' ND2' ' O ' ' A' ' 30' ' ' ILE . 0.9 OUTLIER -53.71 -25.86 20.43 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.525 1.141 . . . . 73.24 109.291 -179.991 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 35' ' ' SER . . . . . 0.464 ' O ' ' CB ' ' A' ' 38' ' ' SER . 16.9 t -79.31 -47.03 16.57 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.45 1.094 . . . . 51.31 110.01 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 36' ' ' LYS . . . . . 0.82 ' HE2' HD23 ' A' ' 18' ' ' LEU . 7.7 mptt -59.46 -38.52 80.98 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.496 1.122 . . . . 72.31 109.36 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 37' ' ' ILE . . . . . 0.476 HG23 ' O ' ' A' ' 33' ' ' ILE . 2.6 pt -80.38 -15.67 12.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.548 1.155 . . . . 73.5 109.287 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 38' ' ' SER . . . . . 0.464 ' CB ' ' O ' ' A' ' 35' ' ' SER . 8.7 t . . . . . 0 C--N 1.325 -0.477 0 O-C-N 124.437 1.086 . . . . 61.13 109.99 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 N--CA 1.453 -0.853 0 N-CA-C 111.029 -0.412 . . . . 75.15 111.029 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 45' ' ' ILE . . . . . 0.766 HG12 HD22 ' A' ' 85' ' ' LEU . 1.2 pp -146.03 113.71 1.26 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.468 1.105 . . . . 71.12 109.282 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 46' ' ' THR . . . . . 0.418 ' O ' HD12 ' A' ' 30' ' ' ILE . 3.0 p -75.96 -34.19 59.82 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.126 . . . . 71.03 110.35 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -95.83 120.82 36.76 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.474 1.109 . . . . 64.54 109.318 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.693 HG12 HD11 ' A' ' 30' ' ' ILE . 17.7 pt -116.47 151.71 18.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.546 1.154 . . . . 64.02 109.317 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 2.8 ttmp? -114.83 111.81 21.79 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.504 1.128 . . . . 54.32 109.289 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 50' ' ' TYR . . . . . 0.622 ' HA ' HD13 ' A' ' 83' ' ' ILE . 12.9 p90 -107.58 152.54 24.12 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.483 1.114 . . . . 73.54 110.959 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 34.5 tt0 -75.27 145.46 41.87 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.541 1.151 . . . . 65.52 110.297 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 27.8 p30 -108.41 -179.32 3.84 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.488 1.117 . . . . 74.04 109.334 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 53' ' ' GLU . . . . . 0.452 ' CA ' ' HG3' ' A' ' 72' ' ' MET . 1.8 pp20? -61.42 -35.36 77.33 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.127 . . . . 74.33 110.304 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 14.5 t0 -64.22 -15.92 60.96 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.502 1.126 . . . . 72.54 109.345 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 86.8 9.51 74.4 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.548 1.155 . . . . 65.35 111.017 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 9.7 m-20 -95.49 175.72 6.45 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.514 0.773 . . . . 64.33 109.277 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 57' ' ' PHE . . . . . 0.559 ' CD1' ' N ' ' A' ' 57' ' ' PHE . 0.6 OUTLIER -101.07 122.57 43.79 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.505 1.128 . . . . 72.41 111.046 179.971 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.527 HG23 ' CE1' ' A' ' 50' ' ' TYR . 2.0 m -125.43 153.62 33.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.542 1.152 . . . . 73.43 109.296 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 11.3 p -75.7 158.66 5.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.472 1.107 . . . . 43.42 109.315 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.712 HD12 ' N ' ' A' ' 61' ' ' GLY . 0.3 OUTLIER -150.05 114.67 5.26 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.555 1.159 . . . . 72.44 109.318 179.99 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 61' ' ' GLY . . . . . 0.712 ' N ' HD12 ' A' ' 60' ' ' LEU . . . -152.73 22.66 0.81 Allowed Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.458 1.099 . . . . 74.03 111.023 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 10.5 p -150.39 174.06 13.31 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.462 0.743 . . . . 55.25 109.969 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -74.34 -30.03 61.85 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.527 1.142 . . . . 74.3 109.316 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 64' ' ' GLU . . . . . 0.497 ' O ' ' CG2' ' A' ' 68' ' ' VAL . 34.4 mt-10 -69.02 -16.53 63.74 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.496 1.122 . . . . 74.5 110.304 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 21.9 m-20 -108.33 -17.59 13.96 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.121 . . . . 52.12 109.346 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 66' ' ' TRP . . . . . 0.536 ' CZ2' ' HE3' ' A' ' 70' ' ' LYS . 0.1 OUTLIER -90.62 -23.7 20.74 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.508 1.13 . . . . 75.21 108.031 179.956 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 7.8 t30 -93.71 -46.17 7.36 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.519 1.137 . . . . 64.5 109.304 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 68' ' ' VAL . . . . . 0.497 ' CG2' ' O ' ' A' ' 64' ' ' GLU . 52.9 t -61.9 -27.14 41.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.496 1.122 . . . . 73.11 109.31 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 69' ' ' ALA . . . . . 0.426 ' HB2' ' CE2' ' A' ' 50' ' ' TYR . . . -72.11 -39.84 68.61 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.483 1.114 . . . . 73.45 109.283 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 70' ' ' LYS . . . . . 0.536 ' HE3' ' CZ2' ' A' ' 66' ' ' TRP . 37.0 mttm -63.19 -38.26 90.48 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.539 1.149 . . . . 73.3 109.275 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 72.8 mm-40 -56.74 -28.08 60.48 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.476 1.11 . . . . 73.24 110.329 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 72' ' ' MET . . . . . 0.452 ' HG3' ' CA ' ' A' ' 53' ' ' GLU . 1.0 OUTLIER -69.25 -42.15 75.99 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.514 1.134 . . . . 63.03 110.987 -179.964 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.693 HD13 ' HG3' ' A' ' 78' ' ' GLU . 0.4 OUTLIER -59.54 -49.38 78.01 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.495 1.122 . . . . 64.02 109.283 179.994 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -62.16 -15.45 46.18 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.496 1.123 . . . . 73.42 109.328 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 24.9 mm-40 -98.0 -26.48 14.62 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.496 1.122 . . . . 71.41 110.332 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 76' ' ' ASN . . . . . 0.442 ' C ' ' N ' ' A' ' 78' ' ' GLU . 3.5 m120 -94.44 13.74 22.88 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.49 1.119 . . . . 74.02 109.306 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 5.5 m120 40.47 30.01 0.07 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.503 1.127 . . . . 62.54 109.297 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 78' ' ' GLU . . . . . 0.693 ' HG3' HD13 ' A' ' 73' ' ' LEU . 15.4 pt-20 -118.69 165.31 14.14 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.466 1.104 . . . . 64.33 110.303 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 79' ' ' LYS . . . . . 0.408 ' NZ ' ' HB3' ' A' ' 79' ' ' LYS . 1.8 mtmp? -125.44 15.35 8.26 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.52 1.138 . . . . 61.44 109.292 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 80' ' ' PHE . . . . . 0.654 ' O ' HD11 ' A' ' 73' ' ' LEU . 6.1 p90 -120.14 152.53 37.5 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.521 1.138 . . . . 73.54 111.013 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.771 HD23 ' H ' ' A' ' 82' ' ' ASN . 0.6 OUTLIER -135.41 169.28 17.73 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.486 1.116 . . . . 62.22 109.317 -179.996 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 82' ' ' ASN . . . . . 0.771 ' H ' HD23 ' A' ' 81' ' ' LEU . 1.1 p-10 -140.44 137.22 33.77 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.455 1.097 . . . . 74.31 109.294 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 83' ' ' ILE . . . . . 0.622 HD13 ' HA ' ' A' ' 50' ' ' TYR . 8.1 mm -129.03 143.59 40.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.468 1.105 . . . . 75.55 109.337 179.943 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 38.7 ttm-85 -118.49 145.02 45.61 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.557 1.16 . . . . 62.34 110.325 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.766 HD22 HG12 ' A' ' 45' ' ' ILE . 37.1 mt -130.42 131.06 45.06 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.531 1.144 . . . . 73.13 109.276 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 2.5 t80 . . . . . 0 C--N 1.325 -0.493 0 O-C-N 124.509 1.13 . . . . 62.32 111.04 179.983 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 4' ' ' SER . . . . . 0.454 ' HB2' HD11 ' A' ' 19' ' ' LEU . 0.4 OUTLIER . . . . . 0 N--CA 1.453 -0.277 0 N-CA-C 109.919 -0.4 . . . . 65.14 109.919 . . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 18.1 mt -135.27 143.94 35.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.469 1.106 . . . . 74.42 109.318 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 5.1 tp -94.8 142.24 27.7 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.552 1.157 . . . . 74.11 109.327 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 7' ' ' PHE . . . . . 0.584 ' CE1' HG11 ' A' ' 20' ' ' VAL . 2.3 m-30 -118.49 92.43 3.81 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.566 1.166 . . . . 44.31 111.01 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 4.0 mtt180 -59.14 109.8 0.93 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.52 1.138 . . . . 64.24 110.322 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.773 HG23 HD22 ' A' ' 85' ' ' LEU . 19.9 mm -86.28 96.95 5.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.454 1.096 . . . . 65.33 109.278 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 38.0 m . . . . . 0 C--N 1.325 -0.493 0 O-C-N 124.541 1.151 . . . . 75.23 110.041 179.973 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.412 ' HA ' ' O ' ' A' ' 9' ' ' ILE . 5.4 mm . . . . . 0 N--CA 1.453 -0.283 0 N-CA-C 109.264 -0.643 . . . . 61.11 109.264 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' PHE . . . . . 0.506 ' CB ' ' HB ' ' A' ' 9' ' ' ILE . 0.1 OUTLIER -141.21 -169.16 2.79 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.495 1.122 . . . . 74.25 110.982 179.956 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 2.0 p -149.8 126.47 11.0 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.468 1.105 . . . . 60.12 110.387 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.683 ' C ' HD23 ' A' ' 18' ' ' LEU . 4.5 tt -134.23 124.19 25.54 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.514 1.134 . . . . 72.23 109.303 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.52 HD13 ' N ' ' A' ' 20' ' ' VAL . 0.1 OUTLIER -87.04 120.26 28.12 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.524 1.14 . . . . 72.21 109.314 179.969 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.584 HG11 ' CE1' ' A' ' 7' ' ' PHE . 9.7 p -125.13 118.21 52.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.548 1.155 . . . . 60.52 109.25 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 21' ' ' GLU . . . . . 0.545 ' HB2' ' CD1' ' A' ' 24' ' ' TRP . 15.3 mm-40 -65.71 168.66 7.38 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.458 1.099 . . . . 74.12 110.324 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 27.6 mttt -87.5 11.53 14.58 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.469 1.106 . . . . 74.3 109.345 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.527 HG12 ' HB3' ' A' ' 21' ' ' GLU . 0.2 OUTLIER -111.46 -30.74 2.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.495 1.122 . . . . 64.02 109.295 179.978 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 24' ' ' TRP . . . . . 0.545 ' CD1' ' HB2' ' A' ' 21' ' ' GLU . 23.4 m0 -57.41 111.84 1.22 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.538 1.149 . . . . 63.12 107.996 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 10.8 p-10 -72.08 -179.3 2.73 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.467 1.104 . . . . 75.12 109.255 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' PHE . . . . . 0.415 ' CG ' ' N ' ' A' ' 27' ' ' ASP . 51.7 p90 -51.89 -39.17 58.6 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.506 1.129 . . . . 71.42 111.009 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 27' ' ' ASP . . . . . 0.415 ' N ' ' CG ' ' A' ' 26' ' ' PHE . 2.0 t70 -60.6 -63.12 1.41 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.428 1.08 . . . . 74.35 109.316 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 14.5 m-20 -54.55 -29.83 52.13 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.529 1.143 . . . . 73.33 109.292 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.696 ' CD2' HD21 ' A' ' 60' ' ' LEU . 0.9 OUTLIER -61.86 -61.51 2.44 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.483 1.114 . . . . 71.53 109.344 -179.996 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 30' ' ' ILE . . . . . 0.455 HD13 ' HA ' ' A' ' 30' ' ' ILE . 24.3 mm -51.46 -48.19 34.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.476 1.11 . . . . 63.0 109.319 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 12.7 mmm -62.7 -19.3 63.75 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.477 1.111 . . . . 63.45 110.998 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 32' ' ' ALA . . . . . 0.655 ' HB3' ' O ' ' A' ' 29' ' ' LEU . . . -69.49 -64.15 0.93 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.509 1.131 . . . . 55.2 109.311 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.763 HG23 HD21 ' A' ' 85' ' ' LEU . 4.1 mp -59.15 -36.94 65.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.463 1.102 . . . . 73.1 109.287 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 2.0 m120 -62.63 -14.81 47.49 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.517 1.135 . . . . 62.21 109.326 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 5.5 t -81.57 -39.24 24.88 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.526 1.141 . . . . 74.45 109.978 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -74.18 -40.94 62.2 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.503 1.127 . . . . 74.43 109.273 -179.941 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 37' ' ' ILE . . . . . 0.473 HD12 HG13 ' A' ' 45' ' ' ILE . 0.3 OUTLIER -86.66 -1.56 7.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.496 1.122 . . . . 74.33 109.287 -179.978 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 32.4 t . . . . . 0 C--N 1.325 -0.477 0 O-C-N 124.457 1.098 . . . . 73.1 109.978 -180.0 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 N--CA 1.453 -0.907 0 N-CA-C 110.986 -0.428 . . . . 72.23 110.986 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 45' ' ' ILE . . . . . 0.7 HD12 ' O ' ' A' ' 45' ' ' ILE . 1.4 pp -118.95 126.19 75.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.441 1.088 . . . . 63.13 109.3 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 9.8 p -89.86 -12.8 37.97 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.491 1.12 . . . . 50.24 110.4 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 1.4 ptmm? -139.85 122.55 16.38 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.496 1.122 . . . . 70.44 109.307 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.52 HD11 HD21 ' A' ' 29' ' ' LEU . 4.2 pt -95.81 155.08 3.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.492 1.12 . . . . 74.41 109.298 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 22.3 mttp -111.91 102.89 11.11 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.569 1.168 . . . . 74.23 109.323 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 50' ' ' TYR . . . . . 0.777 ' HB2' HD21 ' A' ' 81' ' ' LEU . 9.0 p90 -102.04 147.51 26.49 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.518 1.136 . . . . 75.55 110.966 -179.936 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 51' ' ' GLN . . . . . 0.452 ' O ' ' CD2' ' A' ' 50' ' ' TYR . 58.1 tt0 -70.66 159.07 35.11 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.467 1.104 . . . . 64.12 110.263 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 16.5 p30 -123.12 -174.85 3.04 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.502 1.126 . . . . 65.55 109.3 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 53' ' ' GLU . . . . . 0.458 ' HB3' ' CG ' ' A' ' 72' ' ' MET . 7.7 pt-20 -68.06 -32.92 73.59 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.47 1.106 . . . . 74.53 110.283 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 28.0 t0 -63.95 -16.47 61.6 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.492 1.12 . . . . 74.33 109.327 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 88.57 6.77 72.95 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.491 1.119 . . . . 71.01 111.009 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -97.95 179.15 4.88 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.5 0.765 . . . . 73.14 109.251 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 57' ' ' PHE . . . . . 0.53 ' CD1' ' O ' ' A' ' 57' ' ' PHE . 25.2 p90 -103.21 131.22 50.41 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.559 1.162 . . . . 73.12 111.021 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.507 HG23 ' CE1' ' A' ' 50' ' ' TYR . 0.7 OUTLIER -129.72 150.61 34.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.488 1.117 . . . . 75.25 109.294 -179.965 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 59' ' ' VAL . . . . . 0.4 HG12 ' H ' ' A' ' 59' ' ' VAL . 3.3 p -78.33 156.85 5.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.504 1.128 . . . . 64.42 109.312 179.944 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.696 HD12 ' N ' ' A' ' 61' ' ' GLY . 0.4 OUTLIER -148.28 115.0 6.02 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.486 1.116 . . . . 60.34 109.279 -179.997 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 61' ' ' GLY . . . . . 0.696 ' N ' HD12 ' A' ' 60' ' ' LEU . . . -154.13 26.92 0.71 Allowed Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.486 1.116 . . . . 55.32 110.996 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 3.3 m -156.76 157.99 36.06 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.547 0.793 . . . . 70.42 110.0 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 6.1 t70 -63.09 -18.23 63.17 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.562 1.164 . . . . 64.12 109.284 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 64' ' ' GLU . . . . . 0.474 ' O ' ' CG2' ' A' ' 68' ' ' VAL . 4.5 tt0 -79.33 -17.32 54.78 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.473 1.108 . . . . 74.42 110.279 -179.952 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 65' ' ' ASP . . . . . 0.407 ' O ' ' HB2' ' A' ' 69' ' ' ALA . 3.1 m-20 -107.88 -15.94 14.42 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.487 1.117 . . . . 74.24 109.306 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 66' ' ' TRP . . . . . 0.606 ' HZ2' ' HZ1' ' A' ' 70' ' ' LYS . 0.3 OUTLIER -92.37 -24.17 18.98 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.517 1.136 . . . . 71.52 107.987 179.972 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 7.7 t30 -93.26 -50.95 5.23 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.508 1.13 . . . . 64.33 109.276 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 68' ' ' VAL . . . . . 0.474 ' CG2' ' O ' ' A' ' 64' ' ' GLU . 72.4 t -59.07 -26.93 34.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.495 1.122 . . . . 30.32 109.283 -179.95 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 69' ' ' ALA . . . . . 0.414 ' O ' HD23 ' A' ' 73' ' ' LEU . . . -76.78 -48.87 17.32 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.485 1.115 . . . . 53.14 109.32 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 70' ' ' LYS . . . . . 0.606 ' HZ1' ' HZ2' ' A' ' 66' ' ' TRP . 17.6 mtmt -55.76 -44.77 77.94 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.455 1.097 . . . . 73.35 109.304 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 56.4 mm-40 -58.82 -15.89 14.54 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.499 1.124 . . . . 54.42 110.32 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 72' ' ' MET . . . . . 0.458 ' CG ' ' HB3' ' A' ' 53' ' ' GLU . 5.8 tpt -86.14 -22.29 27.12 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.555 1.16 . . . . 63.52 111.031 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.709 HD13 ' CG ' ' A' ' 78' ' ' GLU . 0.6 OUTLIER -63.0 -60.94 2.77 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.452 1.095 . . . . 65.42 109.298 179.994 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -53.22 -27.71 23.34 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.52 1.138 . . . . 63.44 109.296 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 75' ' ' GLU . . . . . 0.42 ' HB2' ' CE ' ' A' ' 72' ' ' MET . 5.6 mm-40 -85.46 -25.21 27.06 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.518 1.136 . . . . 72.33 110.303 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 76' ' ' ASN . . . . . 0.437 ' N ' ' O ' ' A' ' 72' ' ' MET . 29.3 m-20 -85.77 -12.34 51.26 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.551 1.157 . . . . 71.35 109.294 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 68.5 m-80 61.04 34.6 19.18 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.573 1.17 . . . . 73.3 109.305 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 78' ' ' GLU . . . . . 0.709 ' CG ' HD13 ' A' ' 73' ' ' LEU . 14.1 pt-20 -116.87 165.25 13.54 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.535 1.147 . . . . 74.23 110.333 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 36.8 mtmt -121.12 16.63 11.58 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.489 1.118 . . . . 73.12 109.3 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 80' ' ' PHE . . . . . 0.566 ' O ' HD11 ' A' ' 73' ' ' LEU . 25.4 p90 -144.5 -174.89 4.44 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.493 1.121 . . . . 74.41 110.993 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.854 HD23 ' N ' ' A' ' 82' ' ' ASN . 5.6 tt -143.98 166.58 24.57 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.512 1.133 . . . . 74.5 109.27 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 82' ' ' ASN . . . . . 0.854 ' N ' HD23 ' A' ' 81' ' ' LEU . 1.0 OUTLIER -123.13 113.62 19.23 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.489 1.118 . . . . 72.42 109.29 -179.996 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 83' ' ' ILE . . . . . 0.593 HD11 HD22 ' A' ' 81' ' ' LEU . 42.5 mm -103.03 158.6 4.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.488 1.117 . . . . 74.2 109.331 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 84' ' ' ARG . . . . . 0.694 ' O ' HD12 ' A' ' 85' ' ' LEU . 11.4 tpp85 -133.26 127.2 33.15 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.5 1.125 . . . . 74.03 110.317 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.773 HD22 HG23 ' A' ' 9' ' ' ILE . 6.7 mp -123.36 110.65 15.42 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.514 1.134 . . . . 73.02 109.302 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 3.9 m-30 . . . . . 0 C--N 1.324 -0.511 0 O-C-N 124.514 1.134 . . . . 74.31 111.028 -179.96 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 4' ' ' SER . . . . . 0.525 ' HB2' HD11 ' A' ' 19' ' ' LEU . 0.7 OUTLIER . . . . . 0 N--CA 1.453 -0.287 0 N-CA-C 109.995 -0.372 . . . . 64.41 109.995 . . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 5' ' ' ILE . . . . . 0.669 ' CD1' HD12 ' A' ' 73' ' ' LEU . 20.7 mt -138.36 150.07 24.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.54 1.15 . . . . 74.32 109.25 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.664 HD21 ' HB ' ' A' ' 17' ' ' THR . 3.4 tp -103.29 140.46 37.37 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.502 1.126 . . . . 73.04 109.288 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 7' ' ' PHE . . . . . 0.591 ' CG ' HG11 ' A' ' 20' ' ' VAL . 2.4 m-30 -118.41 124.07 46.79 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.489 1.118 . . . . 75.32 110.991 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 42.2 mtp180 -94.5 91.72 6.76 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.481 1.113 . . . . 74.41 110.301 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.452 ' N ' ' O ' ' A' ' 16' ' ' PHE . 5.2 mp -76.99 104.09 4.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.509 1.131 . . . . 63.21 109.35 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 19.3 t . . . . . 0 C--N 1.324 -0.506 0 O-C-N 124.525 1.141 . . . . 74.33 109.978 -179.968 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 1.2 mt . . . . . 0 N--CA 1.453 -0.299 0 N-CA-C 109.335 -0.617 . . . . 72.31 109.335 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 16' ' ' PHE . . . . . 0.452 ' O ' ' N ' ' A' ' 9' ' ' ILE . 58.6 m-85 -120.88 148.92 43.38 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.518 1.136 . . . . 74.41 111.017 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.664 ' HB ' HD21 ' A' ' 6' ' ' LEU . 35.4 p -96.24 153.08 18.0 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.498 1.124 . . . . 73.55 110.392 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.578 HD23 ' HE2' ' A' ' 36' ' ' LYS . 2.9 tm? -152.01 106.75 3.23 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.524 1.14 . . . . 64.25 109.268 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.525 HD11 ' HB2' ' A' ' 4' ' ' SER . 0.4 OUTLIER -67.64 97.98 0.66 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.512 1.133 . . . . 54.25 109.33 179.947 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.591 HG11 ' CG ' ' A' ' 7' ' ' PHE . 2.6 p -102.62 109.34 26.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.45 1.094 . . . . 65.23 109.318 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 21' ' ' GLU . . . . . 0.586 ' HB3' HG12 ' A' ' 23' ' ' VAL . 9.9 mm-40 -54.55 167.83 0.31 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.541 1.151 . . . . 54.24 110.273 -179.95 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 22' ' ' LYS . . . . . 0.446 ' HE2' ' CD1' ' A' ' 5' ' ' ILE . 78.6 mttt -88.79 12.49 14.9 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.475 1.109 . . . . 55.22 109.313 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.586 HG12 ' HB3' ' A' ' 21' ' ' GLU . 0.4 OUTLIER -110.34 -26.2 3.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.509 1.131 . . . . 74.31 109.334 179.994 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 24' ' ' TRP . . . . . 0.524 ' CE3' HG23 ' A' ' 20' ' ' VAL . 28.2 m0 -60.78 91.84 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 107.952 -1.129 . . . . 74.22 107.952 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 25' ' ' ASN . . . . . 0.414 ' OD1' ' N ' ' A' ' 25' ' ' ASN . 5.4 p-10 -51.9 178.84 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.497 1.123 . . . . 71.41 109.31 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 26' ' ' PHE . . . . . 0.592 ' CZ ' ' O ' ' A' ' 61' ' ' GLY . 0.7 OUTLIER -52.52 -34.68 50.89 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.529 1.143 . . . . 75.11 111.023 -179.998 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 11.3 t0 -69.64 -64.19 0.93 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.498 1.124 . . . . 71.23 109.336 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 60.7 m-20 -49.12 -31.72 8.62 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.503 1.127 . . . . 74.25 109.336 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.74 HD21 HD21 ' A' ' 60' ' ' LEU . 2.1 tp -62.72 -60.76 3.05 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.536 1.148 . . . . 74.31 109.29 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 30' ' ' ILE . . . . . 0.444 HD13 ' HA ' ' A' ' 30' ' ' ILE . 25.3 mm -54.87 -32.24 26.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.495 1.122 . . . . 75.15 109.314 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 19.4 mmm -79.54 -22.31 44.03 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.439 1.087 . . . . 73.44 110.961 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 32' ' ' ALA . . . . . 0.496 ' HB1' HD11 ' A' ' 18' ' ' LEU . . . -68.24 -55.44 12.19 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.449 1.093 . . . . 41.13 109.253 -179.95 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.46 ' N ' HD12 ' A' ' 33' ' ' ILE . 3.8 mp -67.05 -43.18 89.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.473 1.108 . . . . 72.15 109.287 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 1.4 m-80 -57.09 -18.57 15.09 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.498 1.124 . . . . 75.12 109.325 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 5.0 t -80.24 -43.04 22.1 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.481 1.113 . . . . 72.12 109.966 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 36' ' ' LYS . . . . . 0.578 ' HE2' HD23 ' A' ' 18' ' ' LEU . 5.8 mptt -69.52 -44.91 70.06 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.515 1.135 . . . . 71.25 109.278 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 37' ' ' ILE . . . . . 0.511 HD12 HG13 ' A' ' 45' ' ' ILE . 0.6 OUTLIER -78.05 -0.57 3.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.522 1.139 . . . . 70.31 109.337 179.981 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 19.9 t . . . . . 0 C--N 1.325 -0.466 0 O-C-N 124.486 1.116 . . . . 74.13 109.951 -179.992 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 N--CA 1.452 -0.912 0 N-CA-C 111.04 -0.408 . . . . 75.24 111.04 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 45' ' ' ILE . . . . . 0.651 HD12 ' O ' ' A' ' 45' ' ' ILE . 1.3 pp -135.21 136.58 51.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.495 1.122 . . . . 61.23 109.262 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 57.0 p -104.86 -20.27 13.63 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.45 1.094 . . . . 74.34 110.357 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 8.1 mtmm -112.85 124.73 53.27 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.472 1.107 . . . . 72.04 109.31 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.667 HG22 HD21 ' A' ' 85' ' ' LEU . 15.0 pt -123.32 130.59 74.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.484 1.115 . . . . 74.2 109.295 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 16.5 ttmt -97.17 103.72 15.68 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.491 1.12 . . . . 72.45 109.332 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 50' ' ' TYR . . . . . 0.771 ' HB2' HD21 ' A' ' 81' ' ' LEU . 9.4 p90 -97.39 147.71 23.92 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.492 1.12 . . . . 70.25 110.988 -179.954 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 40.7 tt0 -76.2 158.48 31.62 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.443 1.09 . . . . 71.12 110.249 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 8.0 t0 -122.71 -174.04 2.83 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.473 1.108 . . . . 65.11 109.284 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 53' ' ' GLU . . . . . 0.484 ' CB ' ' OD1' ' A' ' 76' ' ' ASN . 1.8 pp20? -69.87 -37.95 76.24 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.506 1.129 . . . . 75.35 110.294 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 33.3 t70 -58.64 -17.8 25.24 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.475 1.11 . . . . 74.31 109.297 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 89.59 5.07 72.35 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.491 1.119 . . . . 72.33 110.997 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 4.4 t70 -101.31 148.03 25.62 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.511 0.771 . . . . 75.22 109.315 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 57' ' ' PHE . . . . . 0.433 ' CD1' ' O ' ' A' ' 57' ' ' PHE . 10.2 p90 -76.22 144.73 40.23 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.499 1.124 . . . . 75.55 110.995 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.453 HG23 ' O ' ' A' ' 50' ' ' TYR . 0.1 OUTLIER -141.36 146.94 22.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.471 1.107 . . . . 65.51 109.342 179.957 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 9.2 p -72.87 154.32 7.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.53 1.144 . . . . 73.04 109.28 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.74 HD21 HD21 ' A' ' 29' ' ' LEU . 2.5 tp -143.25 118.48 10.17 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.499 1.125 . . . . 51.54 109.326 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 61' ' ' GLY . . . . . 0.592 ' O ' ' CZ ' ' A' ' 26' ' ' PHE . . . -158.05 27.59 0.45 Allowed Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.535 1.147 . . . . 71.25 110.992 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -159.63 152.28 21.43 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.558 0.799 . . . . 74.04 110.027 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 22.5 t70 -66.26 -21.97 66.3 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.488 1.118 . . . . 71.42 109.326 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 64' ' ' GLU . . . . . 0.483 ' OE1' HG23 ' A' ' 68' ' ' VAL . 3.2 tp10 -74.75 -14.83 60.76 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.545 1.153 . . . . 64.12 110.34 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 9.4 t0 -109.72 -17.22 13.74 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.508 1.13 . . . . 65.32 109.294 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 66' ' ' TRP . . . . . 0.596 ' O ' ' CE3' ' A' ' 66' ' ' TRP . 3.5 t-105 -92.53 -23.7 19.0 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.541 1.15 . . . . 75.51 107.996 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 7.7 t30 -93.91 -35.29 12.74 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.49 1.119 . . . . 72.31 109.268 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 68' ' ' VAL . . . . . 0.483 HG23 ' OE1' ' A' ' 64' ' ' GLU . 29.2 t -72.89 -20.91 19.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.512 1.133 . . . . 73.41 109.29 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 69' ' ' ALA . . . . . 0.433 ' O ' ' CB ' ' A' ' 72' ' ' MET . . . -83.3 -47.43 11.51 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.47 1.107 . . . . 61.32 109.291 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 70' ' ' LYS . . . . . 0.558 ' HG3' ' CZ3' ' A' ' 66' ' ' TRP . 37.1 mtmt -48.9 -56.46 8.75 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.504 1.127 . . . . 73.02 109.332 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 11.1 mt-10 -45.51 -26.78 0.63 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.487 1.117 . . . . 62.51 110.303 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 72' ' ' MET . . . . . 0.433 ' CB ' ' O ' ' A' ' 69' ' ' ALA . 17.0 tpp -72.16 -39.43 68.71 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.465 1.103 . . . . 63.3 111.018 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.669 HD12 ' CD1' ' A' ' 5' ' ' ILE . 6.8 mt -45.47 -50.67 12.49 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.557 1.161 . . . . 71.22 109.304 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -54.75 -39.99 68.88 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.518 1.136 . . . . 51.25 109.282 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 65.9 mt-10 -77.17 -18.91 57.45 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.527 1.142 . . . . 75.11 110.299 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 76' ' ' ASN . . . . . 0.497 ' CB ' ' OE1' ' A' ' 78' ' ' GLU . 63.0 m-20 -91.61 -13.33 32.11 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.475 1.109 . . . . 73.33 109.261 -179.949 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 3.4 m120 60.51 32.67 20.54 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.526 1.141 . . . . 75.15 109.275 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 78' ' ' GLU . . . . . 0.497 ' OE1' ' CB ' ' A' ' 76' ' ' ASN . 10.2 pt-20 -114.42 162.75 16.26 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.498 1.124 . . . . 71.51 110.316 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -121.78 24.55 9.64 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.497 1.123 . . . . 72.23 109.344 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 11.4 p90 -153.5 -177.33 6.28 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.482 1.114 . . . . 62.02 111.003 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.868 HD23 ' N ' ' A' ' 82' ' ' ASN . 10.1 tt -142.02 167.87 21.1 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.492 1.12 . . . . 73.24 109.279 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 82' ' ' ASN . . . . . 0.868 ' N ' HD23 ' A' ' 81' ' ' LEU . 0.9 OUTLIER -123.24 112.89 18.2 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.537 1.148 . . . . 72.44 109.304 179.978 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 83' ' ' ILE . . . . . 0.461 HG13 ' CD2' ' A' ' 7' ' ' PHE . 14.5 mm -99.77 158.35 3.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.462 1.101 . . . . 60.25 109.293 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 3.2 tpp85 -141.72 148.04 38.39 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.471 1.107 . . . . 70.14 110.336 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.667 HD21 HG22 ' A' ' 48' ' ' ILE . 33.2 mt -136.85 125.35 23.56 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.49 1.119 . . . . 71.44 109.282 -179.942 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 3.3 m-85 . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.558 1.161 . . . . 70.41 111.001 179.99 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 4' ' ' SER . . . . . 0.559 ' CB ' HD11 ' A' ' 19' ' ' LEU . 1.0 OUTLIER . . . . . 0 N--CA 1.453 -0.323 0 N-CA-C 109.977 -0.379 . . . . 72.44 109.977 . . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 5' ' ' ILE . . . . . 0.469 ' CD1' ' HE2' ' A' ' 22' ' ' LYS . 16.1 mt -121.55 147.35 25.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.5 1.125 . . . . 74.3 109.294 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 3.8 tp -90.52 139.99 30.17 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.488 1.118 . . . . 65.11 109.284 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 7' ' ' PHE . . . . . 0.566 ' CE2' HD13 ' A' ' 29' ' ' LEU . 1.8 m-85 -129.39 111.02 12.39 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.533 1.146 . . . . 74.52 110.964 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 8' ' ' ARG . . . . . 0.965 ' CD ' HG22 ' A' ' 17' ' ' THR . 46.3 mmm-85 -88.19 119.09 28.25 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.512 1.133 . . . . 74.31 110.316 179.944 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.605 ' CG2' HD22 ' A' ' 85' ' ' LEU . 4.3 mp -95.93 80.64 1.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.45 1.094 . . . . 71.45 109.298 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 10' ' ' SER . . . . . 0.948 ' OG ' HG23 ' A' ' 15' ' ' ILE . 19.9 m . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.495 1.122 . . . . 73.02 109.971 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.948 HG23 ' OG ' ' A' ' 10' ' ' SER . 1.7 mp . . . . . 0 N--CA 1.452 -0.331 0 N-CA-C 109.339 -0.615 . . . . 63.41 109.339 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' PHE . . . . . 0.423 ' O ' ' HA ' ' A' ' 8' ' ' ARG . 7.8 t80 -128.68 177.71 6.85 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.482 1.114 . . . . 73.4 110.993 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.965 HG22 ' CD ' ' A' ' 8' ' ' ARG . 19.7 p -131.63 146.16 52.06 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.45 1.094 . . . . 64.43 110.375 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.549 ' C ' HD23 ' A' ' 18' ' ' LEU . 7.1 tt -150.26 124.58 9.52 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.539 1.149 . . . . 64.34 109.295 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.559 HD11 ' CB ' ' A' ' 4' ' ' SER . 0.2 OUTLIER -82.94 114.74 21.43 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.502 1.126 . . . . 73.04 109.313 -179.976 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.81 HG23 ' HE3' ' A' ' 24' ' ' TRP . 8.3 p -122.03 122.58 67.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.513 1.133 . . . . 62.34 109.32 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 21' ' ' GLU . . . . . 0.565 ' HB2' ' CD1' ' A' ' 24' ' ' TRP . 23.5 mt-10 -63.41 168.99 4.03 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.463 1.102 . . . . 75.45 110.269 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 22' ' ' LYS . . . . . 0.469 ' HE2' ' CD1' ' A' ' 5' ' ' ILE . 1.0 OUTLIER -87.94 10.2 19.64 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.503 1.127 . . . . 61.41 109.288 -179.998 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.435 HG12 ' HB3' ' A' ' 21' ' ' GLU . 0.2 OUTLIER -111.19 -18.49 7.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.501 1.125 . . . . 63.21 109.307 179.984 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 24' ' ' TRP . . . . . 0.81 ' HE3' HG23 ' A' ' 20' ' ' VAL . 22.5 m0 -72.34 86.63 1.12 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.502 1.127 . . . . 62.03 108.016 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 25' ' ' ASN . . . . . 0.518 ' HA ' ' CE2' ' A' ' 66' ' ' TRP . 8.3 p-10 -52.71 175.89 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.522 1.139 . . . . 73.33 109.295 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 8.3 p90 -47.35 -30.75 3.41 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.453 1.096 . . . . 70.42 111.026 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 19.2 t70 -65.49 -69.29 0.3 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.516 1.135 . . . . 62.42 109.348 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 28' ' ' ASP . . . . . 0.45 ' O ' ' N ' ' A' ' 32' ' ' ALA . 24.5 m-20 -51.22 -30.28 16.88 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.508 1.13 . . . . 73.32 109.299 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.593 HD21 HD11 ' A' ' 48' ' ' ILE . 1.5 tp -61.19 -57.55 11.99 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.494 1.121 . . . . 74.33 109.283 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 30' ' ' ILE . . . . . 0.432 HD13 ' HA ' ' A' ' 30' ' ' ILE . 17.8 mm -57.81 -29.69 35.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.467 1.105 . . . . 62.03 109.29 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 7.1 mmt -82.89 -21.98 34.1 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.505 1.128 . . . . 70.1 111.013 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 32' ' ' ALA . . . . . 0.536 ' O ' HD11 ' A' ' 18' ' ' LEU . . . -68.99 -49.99 52.9 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.51 1.131 . . . . 42.51 109.343 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.653 ' O ' HG23 ' A' ' 37' ' ' ILE . 3.1 mp -70.23 -40.43 78.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.475 1.109 . . . . 71.51 109.308 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 2.4 m120 -64.56 -15.45 61.03 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.478 1.111 . . . . 74.11 109.305 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 1.5 t -85.52 -45.87 11.38 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.534 1.147 . . . . 75.2 109.994 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 36' ' ' LYS . . . . . 0.438 ' HG2' HD12 ' A' ' 18' ' ' LEU . 0.3 OUTLIER -67.17 -51.53 52.61 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.513 1.133 . . . . 71.34 109.334 179.969 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 37' ' ' ILE . . . . . 0.653 HG23 ' O ' ' A' ' 33' ' ' ILE . 1.8 pt -63.19 -16.01 16.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.482 1.114 . . . . 64.51 109.269 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 2.3 t . . . . . 0 C--N 1.324 -0.508 0 O-C-N 124.536 1.147 . . . . 62.34 109.976 -179.983 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 N--CA 1.453 -0.858 0 N-CA-C 111.04 -0.408 . . . . 73.44 111.04 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 45' ' ' ILE . . . . . 0.474 HD11 HG22 ' A' ' 33' ' ' ILE . 1.1 pp -129.93 165.03 31.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 74.44 109.307 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 73.9 p -130.83 5.96 4.64 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.49 1.119 . . . . 71.43 110.444 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 31.0 mtpt -136.38 141.11 43.66 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.54 1.15 . . . . 74.54 109.256 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.998 HG22 HD11 ' A' ' 85' ' ' LEU . 19.0 pt -138.67 126.55 28.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.511 1.132 . . . . 72.43 109.271 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 1.3 ttmp? -98.94 106.72 19.01 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.482 1.114 . . . . 74.5 109.264 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 50' ' ' TYR . . . . . 0.482 ' O ' HG23 ' A' ' 58' ' ' VAL . 8.2 p90 -99.46 149.74 22.9 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.542 1.151 . . . . 70.41 111.011 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 51' ' ' GLN . . . . . 0.456 ' O ' ' CD2' ' A' ' 50' ' ' TYR . 33.6 tt0 -62.74 144.49 56.36 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.544 1.153 . . . . 64.23 110.282 -179.933 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 52' ' ' ASP . . . . . 0.451 ' HB2' HG22 ' A' ' 58' ' ' VAL . 12.5 t0 -105.15 177.13 4.94 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.478 1.111 . . . . 72.22 109.274 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 2.2 pm0 -63.21 -27.12 69.14 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.424 1.078 . . . . 71.43 110.29 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 4.0 t70 -89.34 14.73 10.46 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.532 1.145 . . . . 54.32 109.316 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 59.98 18.64 48.23 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.448 1.093 . . . . 70.54 111.011 -179.934 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -102.02 129.04 48.22 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.504 0.767 . . . . 74.42 109.293 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 57' ' ' PHE . . . . . 0.455 ' CD1' ' O ' ' A' ' 57' ' ' PHE . 12.7 p90 -57.61 120.45 8.36 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.522 1.139 . . . . 65.34 110.976 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.482 HG23 ' O ' ' A' ' 50' ' ' TYR . 0.2 OUTLIER -122.19 145.82 28.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.536 1.148 . . . . 73.24 109.3 179.957 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 11.5 t -72.74 154.71 7.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.537 1.148 . . . . 63.21 109.28 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.88 HD12 ' N ' ' A' ' 61' ' ' GLY . 0.3 OUTLIER -150.47 120.51 7.19 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.471 1.107 . . . . 71.14 109.309 179.993 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 61' ' ' GLY . . . . . 0.88 ' N ' HD12 ' A' ' 60' ' ' LEU . . . -159.75 26.72 0.34 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.522 1.139 . . . . 64.52 110.998 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 5.3 m -151.24 171.15 17.87 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.453 0.737 . . . . 64.5 110.001 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 8.8 t70 -70.84 -25.67 62.93 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.497 1.123 . . . . 75.41 109.329 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 64' ' ' GLU . . . . . 0.629 ' O ' HG23 ' A' ' 68' ' ' VAL . 16.4 pt-20 -70.72 -36.72 73.35 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.505 1.128 . . . . 70.04 110.321 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 65' ' ' ASP . . . . . 0.565 ' O ' ' HB2' ' A' ' 69' ' ' ALA . 4.1 m-20 -86.81 -9.53 55.6 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.456 1.098 . . . . 74.01 109.323 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 66' ' ' TRP . . . . . 0.576 ' CZ3' ' OD1' ' A' ' 67' ' ' ASN . 8.9 t90 -96.84 -22.58 16.83 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.499 1.125 . . . . 75.43 108.008 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 67' ' ' ASN . . . . . 0.576 ' OD1' ' CZ3' ' A' ' 66' ' ' TRP . 26.3 m-20 -98.32 -44.22 6.63 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.46 1.1 . . . . 73.41 109.308 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 68' ' ' VAL . . . . . 0.629 HG23 ' O ' ' A' ' 64' ' ' GLU . 51.8 t -72.45 -6.07 7.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.499 1.124 . . . . 53.52 109.328 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 69' ' ' ALA . . . . . 0.565 ' HB2' ' O ' ' A' ' 65' ' ' ASP . . . -96.41 -24.71 16.01 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.491 1.12 . . . . 52.24 109.241 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 70' ' ' LYS . . . . . 0.562 ' HE3' ' CZ2' ' A' ' 66' ' ' TRP . 32.4 mttm -75.32 -36.21 61.11 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.496 1.123 . . . . 73.23 109.305 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -56.33 -31.66 63.94 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.506 1.129 . . . . 54.05 110.3 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 72' ' ' MET . . . . . 0.448 ' O ' ' N ' ' A' ' 76' ' ' ASN . 2.5 ttt -64.77 -46.98 79.85 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.555 1.159 . . . . 73.34 110.981 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 6.3 mt -49.29 -45.13 44.75 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.534 1.146 . . . . 65.33 109.256 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -65.71 -34.29 77.85 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.456 1.097 . . . . 72.02 109.316 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 -78.63 -18.82 53.91 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.527 1.142 . . . . 73.1 110.307 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 76' ' ' ASN . . . . . 0.448 ' N ' ' O ' ' A' ' 72' ' ' MET . 3.1 m120 -102.48 15.22 29.86 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.563 1.165 . . . . 65.12 109.319 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 49.7 m-80 40.96 29.61 0.08 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.503 1.127 . . . . 60.44 109.285 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 78' ' ' GLU . . . . . 0.589 ' OE1' ' CE2' ' A' ' 80' ' ' PHE . 13.5 pt-20 -117.79 161.48 19.65 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.529 1.143 . . . . 73.01 110.313 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 7.8 mtmp? -124.14 25.35 7.87 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.461 1.101 . . . . 72.13 109.313 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 80' ' ' PHE . . . . . 0.589 ' CE2' ' OE1' ' A' ' 78' ' ' GLU . 8.2 p90 -133.17 166.72 21.8 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.531 1.144 . . . . 73.43 110.98 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.847 HD23 ' N ' ' A' ' 82' ' ' ASN . 8.4 tt -134.02 172.26 13.07 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.535 1.147 . . . . 74.34 109.276 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 82' ' ' ASN . . . . . 0.847 ' N ' HD23 ' A' ' 81' ' ' LEU . 0.9 OUTLIER -144.49 111.39 5.8 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.511 1.132 . . . . 64.21 109.305 179.978 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 83' ' ' ILE . . . . . 0.52 HG23 ' HB ' ' A' ' 48' ' ' ILE . 31.5 mm -93.46 157.54 2.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.48 1.112 . . . . 53.43 109.239 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 7.4 tpp180 -140.06 110.02 6.46 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.561 1.163 . . . . 71.51 110.309 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.998 HD11 HG22 ' A' ' 48' ' ' ILE . 4.2 mp -89.66 137.37 32.39 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.541 1.15 . . . . 64.22 109.316 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 86' ' ' TYR . . . . . 0.403 ' C ' ' O ' ' A' ' 85' ' ' LEU . 29.0 m-85 . . . . . 0 C--N 1.325 -0.495 0 O-C-N 124.441 1.088 . . . . 73.53 110.966 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 4' ' ' SER . . . . . 0.427 ' HB2' HD11 ' A' ' 19' ' ' LEU . 2.5 m . . . . . 0 N--CA 1.454 -0.264 0 N-CA-C 109.992 -0.373 . . . . 62.11 109.992 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 5' ' ' ILE . . . . . 0.444 ' CD1' ' HE2' ' A' ' 22' ' ' LYS . 17.2 mt -125.61 149.53 30.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.525 1.14 . . . . 70.04 109.319 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 7.9 tt -104.3 148.89 25.86 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.436 1.085 . . . . 70.03 109.341 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 7' ' ' PHE . . . . . 1.098 ' CE2' HD11 ' A' ' 29' ' ' LEU . 2.0 m-30 -119.62 95.59 4.84 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.537 1.148 . . . . 72.11 110.997 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 8' ' ' ARG . . . . . 0.402 ' HA ' ' O ' ' A' ' 16' ' ' PHE . 62.4 ttp85 -75.72 64.97 1.81 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.487 1.117 . . . . 63.41 110.296 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.582 HG23 HD23 ' A' ' 85' ' ' LEU . 2.7 mt -48.36 163.87 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.513 1.133 . . . . 64.44 109.32 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 10' ' ' SER . . . . . 0.544 ' HB2' HD12 ' A' ' 15' ' ' ILE . 5.6 t . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.497 1.123 . . . . 52.45 109.963 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.544 HD12 ' HB2' ' A' ' 10' ' ' SER . 11.6 mm . . . . . 0 N--CA 1.454 -0.269 0 N-CA-C 109.288 -0.634 . . . . 64.12 109.288 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 16' ' ' PHE . . . . . 0.402 ' O ' ' HA ' ' A' ' 8' ' ' ARG . 97.2 m-85 -126.27 165.92 18.07 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.507 1.13 . . . . 71.54 110.982 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 4.1 p -134.2 133.73 41.26 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.462 1.102 . . . . 71.31 110.376 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.716 HD23 ' HE3' ' A' ' 36' ' ' LYS . 2.1 tm? -133.89 113.86 12.68 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.512 1.133 . . . . 71.31 109.314 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.486 ' CD1' ' C ' ' A' ' 19' ' ' LEU . 0.2 OUTLIER -75.17 101.83 4.74 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.532 1.145 . . . . 74.11 109.26 -179.989 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.507 HG23 ' CE3' ' A' ' 24' ' ' TRP . 4.6 p -101.0 153.64 4.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.542 1.151 . . . . 61.25 109.281 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 21' ' ' GLU . . . . . 0.558 ' HB2' ' CD1' ' A' ' 24' ' ' TRP . 18.0 mm-40 -90.75 167.79 12.23 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.483 1.114 . . . . 72.45 110.314 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 22' ' ' LYS . . . . . 0.444 ' HE2' ' CD1' ' A' ' 5' ' ' ILE . 0.2 OUTLIER -89.69 15.67 9.2 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.471 1.107 . . . . 72.4 109.284 -179.977 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.504 HG13 ' CD1' ' A' ' 24' ' ' TRP . 0.2 OUTLIER -116.1 -38.78 2.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.53 1.144 . . . . 62.33 109.351 179.966 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 24' ' ' TRP . . . . . 0.558 ' CD1' ' HB2' ' A' ' 21' ' ' GLU . 7.7 m0 -56.32 96.77 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.559 1.162 . . . . 74.3 108.009 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 25' ' ' ASN . . . . . 0.498 ' HA ' ' CE2' ' A' ' 66' ' ' TRP . 17.3 p-10 -55.89 174.29 0.12 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.442 1.089 . . . . 60.0 109.299 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 31.8 p90 -53.46 -24.36 12.69 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.531 1.145 . . . . 74.24 111.019 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -72.57 -70.27 0.36 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.439 1.087 . . . . 52.35 109.304 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 33.8 m-20 -57.34 -20.8 31.2 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.484 1.115 . . . . 72.44 109.304 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 1.098 HD11 ' CE2' ' A' ' 7' ' ' PHE . 4.5 tp -71.18 -59.51 2.73 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.496 1.123 . . . . 72.55 109.269 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 17.7 mm -49.15 -44.21 16.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.551 1.157 . . . . 73.44 109.305 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 5.3 mmt -68.46 -23.76 64.63 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.512 1.133 . . . . 43.34 110.957 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 32' ' ' ALA . . . . . 0.546 ' HB3' ' O ' ' A' ' 29' ' ' LEU . . . -65.72 -56.5 11.71 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.479 1.112 . . . . 64.11 109.332 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.606 ' H ' HD12 ' A' ' 33' ' ' ILE . 5.2 mp -65.21 -45.22 94.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.519 1.137 . . . . 74.25 109.256 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 1.2 m-80 -53.5 -21.69 6.75 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.495 1.122 . . . . 71.32 109.315 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 8.4 t -75.36 -40.4 58.18 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.52 1.137 . . . . 75.31 109.966 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 36' ' ' LYS . . . . . 0.716 ' HE3' HD23 ' A' ' 18' ' ' LEU . 1.1 mptp? -70.06 -47.59 61.33 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.468 1.105 . . . . 73.43 109.277 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 37' ' ' ILE . . . . . 0.719 HD13 HD11 ' A' ' 45' ' ' ILE . 0.6 OUTLIER -78.09 -6.08 8.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.449 1.093 . . . . 73.22 109.321 179.978 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 34.4 t . . . . . 0 C--N 1.324 -0.511 0 O-C-N 124.553 1.158 . . . . 64.53 109.977 -179.962 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 N--CA 1.453 -0.863 0 N-CA-C 111.037 -0.409 . . . . 72.31 111.037 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 45' ' ' ILE . . . . . 0.816 HG21 HD12 ' A' ' 85' ' ' LEU . 1.5 pp -128.68 112.36 25.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.532 1.145 . . . . 20.51 109.296 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 1.6 t -81.6 -10.71 59.36 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.488 1.117 . . . . 54.31 110.394 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 11.1 pttt -127.71 134.72 49.57 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.478 1.111 . . . . 73.24 109.305 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.623 HG22 HD21 ' A' ' 85' ' ' LEU . 12.1 pt -121.08 176.1 4.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.533 1.145 . . . . 63.4 109.219 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 49' ' ' LYS . . . . . 0.418 ' HD3' ' CB ' ' A' ' 57' ' ' PHE . 12.9 tttt -134.48 104.82 6.26 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.516 1.135 . . . . 63.34 109.291 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 50' ' ' TYR . . . . . 0.78 ' HB2' HD21 ' A' ' 81' ' ' LEU . 8.3 p90 -99.53 146.88 25.91 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.494 1.121 . . . . 72.13 111.013 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 46.5 tt0 -67.9 136.74 54.49 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.479 1.112 . . . . 71.33 110.268 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 52' ' ' ASP . . . . . 0.416 ' HB2' ' CG2' ' A' ' 58' ' ' VAL . 11.0 t0 -97.81 -172.12 2.31 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.484 1.115 . . . . 63.13 109.303 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 1.2 pp20? -69.93 -35.85 74.86 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.518 1.137 . . . . 74.45 110.279 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 23.0 t0 -62.12 -15.39 45.26 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.465 1.103 . . . . 72.33 109.336 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 91.01 0.04 75.16 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.466 1.104 . . . . 63.41 111.003 -180.0 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 23.7 t0 -89.98 178.77 6.12 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.457 0.74 . . . . 65.34 109.3 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 57' ' ' PHE . . . . . 0.418 ' CB ' ' HD3' ' A' ' 49' ' ' LYS . 3.9 m-85 -100.69 125.2 47.1 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.499 1.124 . . . . 74.12 111.01 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.445 HG23 ' O ' ' A' ' 50' ' ' TYR . 0.2 OUTLIER -122.8 145.08 30.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.489 1.118 . . . . 62.02 109.338 179.981 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 2.8 p -74.21 141.27 16.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.477 1.111 . . . . 72.2 109.269 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.508 ' HB2' ' CD1' ' A' ' 50' ' ' TYR . 0.6 OUTLIER -130.68 109.72 10.84 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.56 1.162 . . . . 71.34 109.289 -179.999 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 61' ' ' GLY . . . . . 0.442 ' N ' HD12 ' A' ' 60' ' ' LEU . . . -148.37 23.02 1.38 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.468 1.105 . . . . 64.22 111.039 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 1.4 p -149.03 173.66 13.14 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.479 0.752 . . . . 72.12 109.965 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 63' ' ' ASP . . . . . 0.442 ' O ' ' N ' ' A' ' 67' ' ' ASN . 0.6 OUTLIER -71.43 -28.96 64.34 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.484 1.115 . . . . 64.02 109.306 179.995 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 64' ' ' GLU . . . . . 0.58 ' O ' HG23 ' A' ' 68' ' ' VAL . 4.1 tt0 -67.76 -38.73 83.85 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.565 1.166 . . . . 72.13 110.293 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 65' ' ' ASP . . . . . 0.515 ' O ' ' HB2' ' A' ' 69' ' ' ALA . 6.6 m-20 -85.83 -15.02 43.25 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.569 1.168 . . . . 75.11 109.318 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 66' ' ' TRP . . . . . 0.595 ' CZ3' ' OD1' ' A' ' 67' ' ' ASN . 5.9 t90 -93.9 -22.93 18.31 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.557 1.161 . . . . 75.4 108.016 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 67' ' ' ASN . . . . . 0.595 ' OD1' ' CZ3' ' A' ' 66' ' ' TRP . 52.6 m-20 -93.99 -50.06 5.49 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.471 1.107 . . . . 62.13 109.322 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 68' ' ' VAL . . . . . 0.58 HG23 ' O ' ' A' ' 64' ' ' GLU . 91.0 t -61.62 -22.36 27.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.467 1.105 . . . . 55.21 109.281 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 69' ' ' ALA . . . . . 0.563 ' O ' HD23 ' A' ' 73' ' ' LEU . . . -75.09 -29.97 60.78 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.47 1.107 . . . . 75.33 109.273 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 6.8 mtmp? -72.7 -56.82 4.72 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.49 1.119 . . . . 65.53 109.324 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -52.54 -20.54 3.04 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.504 1.127 . . . . 74.43 110.33 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 72' ' ' MET . . . . . 0.546 ' HE3' HD22 ' A' ' 73' ' ' LEU . 13.2 ttp -75.3 -33.27 61.18 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.48 1.112 . . . . 72.31 110.983 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.852 HD21 HD12 ' A' ' 81' ' ' LEU . 0.3 OUTLIER -55.8 -60.43 3.47 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.524 1.14 . . . . 72.42 109.296 179.996 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -53.56 -20.93 5.62 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.556 1.16 . . . . 73.23 109.306 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 43.0 mt-10 -88.21 -26.69 22.25 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.51 1.131 . . . . 65.22 110.329 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 4.2 m-20 -93.54 7.1 45.94 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.509 1.13 . . . . 62.55 109.308 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 36.5 m-80 40.42 34.18 0.22 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.502 1.126 . . . . 74.14 109.293 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 78' ' ' GLU . . . . . 0.763 ' HG3' HD13 ' A' ' 73' ' ' LEU . 9.6 pt-20 -108.86 169.66 8.53 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.47 1.106 . . . . 71.14 110.346 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 36.2 mmtt -122.81 17.8 10.22 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.505 1.128 . . . . 75.13 109.316 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 13.6 p90 -155.78 167.14 31.35 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.501 1.126 . . . . 61.32 110.988 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.852 HD12 HD21 ' A' ' 73' ' ' LEU . 3.6 tt -127.76 168.73 14.71 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.487 1.117 . . . . 52.42 109.318 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 82' ' ' ASN . . . . . 0.772 ' N ' HD23 ' A' ' 81' ' ' LEU . 2.2 t30 -131.73 140.46 49.26 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.511 1.132 . . . . 74.44 109.295 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 83' ' ' ILE . . . . . 0.572 HG13 ' CD2' ' A' ' 7' ' ' PHE . 19.6 mm -129.84 145.25 35.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.495 1.122 . . . . 74.51 109.325 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 84' ' ' ARG . . . . . 0.76 ' O ' HD22 ' A' ' 85' ' ' LEU . 53.1 ttt180 -121.98 154.79 36.74 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.496 1.122 . . . . 75.5 110.29 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.816 HD12 HG21 ' A' ' 45' ' ' ILE . 3.0 mm? -136.78 136.48 38.93 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.47 1.106 . . . . 71.23 109.318 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 2.0 t80 . . . . . 0 C--N 1.324 -0.503 0 O-C-N 124.469 1.105 . . . . 70.31 111.007 179.996 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 4' ' ' SER . . . . . 0.505 ' CB ' HD11 ' A' ' 19' ' ' LEU . 0.8 OUTLIER . . . . . 0 N--CA 1.452 -0.338 0 N-CA-C 110.022 -0.362 . . . . 73.31 110.022 . . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 5' ' ' ILE . . . . . 0.622 HD13 HD12 ' A' ' 73' ' ' LEU . 15.1 mt -139.38 146.25 25.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.497 1.123 . . . . 62.2 109.246 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.918 HD13 ' N ' ' A' ' 7' ' ' PHE . 3.2 tm? -91.58 147.89 22.68 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.531 1.144 . . . . 72.15 109.284 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 7' ' ' PHE . . . . . 0.918 ' N ' HD13 ' A' ' 6' ' ' LEU . 1.6 m-85 -127.3 118.8 24.9 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.529 1.143 . . . . 74.32 111.012 179.944 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 8' ' ' ARG . . . . . 0.588 ' HB3' HG23 ' A' ' 15' ' ' ILE . 18.0 mmt180 -88.6 119.44 29.07 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.476 1.11 . . . . 74.24 110.333 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.432 ' HB ' ' CB ' ' A' ' 16' ' ' PHE . 4.1 mm -100.08 93.31 2.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.533 1.145 . . . . 72.03 109.268 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 10' ' ' SER . . . . . 0.667 ' HB3' HD13 ' A' ' 15' ' ' ILE . 1.6 p . . . . . 0 C--N 1.325 -0.465 0 O-C-N 124.499 1.125 . . . . 44.51 110.036 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.667 HD13 ' HB3' ' A' ' 10' ' ' SER . 2.2 mm . . . . . 0 N--CA 1.452 -0.338 0 N-CA-C 109.326 -0.62 . . . . 62.53 109.326 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 16' ' ' PHE . . . . . 0.432 ' CB ' ' HB ' ' A' ' 9' ' ' ILE . 0.1 OUTLIER -109.7 -174.25 2.45 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.476 1.11 . . . . 71.23 111.026 -180.0 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.545 HG23 ' NH1' ' A' ' 8' ' ' ARG . 2.2 p -139.7 126.53 20.75 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.499 1.125 . . . . 63.4 110.377 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.735 HD22 ' N ' ' A' ' 19' ' ' LEU . 0.2 OUTLIER -137.86 114.94 10.85 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.53 1.144 . . . . 70.42 109.325 179.95 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.735 ' N ' HD22 ' A' ' 18' ' ' LEU . 0.2 OUTLIER -78.41 112.46 15.46 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.536 1.148 . . . . 71.15 109.273 -179.986 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.664 HG23 ' CE3' ' A' ' 24' ' ' TRP . 10.2 p -119.57 130.2 74.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.512 1.132 . . . . 74.54 109.272 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 21' ' ' GLU . . . . . 0.568 ' HB2' ' CD1' ' A' ' 24' ' ' TRP . 11.6 mt-10 -69.66 167.31 17.25 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.532 1.145 . . . . 64.14 110.296 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 22' ' ' LYS . . . . . 0.415 ' O ' ' NZ ' ' A' ' 70' ' ' LYS . 8.7 mtpt -87.88 12.07 14.06 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.53 1.144 . . . . 72.41 109.327 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.501 HG12 ' HB3' ' A' ' 21' ' ' GLU . 0.2 OUTLIER -112.24 -32.92 2.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.457 1.098 . . . . 65.13 109.247 -179.976 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 24' ' ' TRP . . . . . 0.664 ' CE3' HG23 ' A' ' 20' ' ' VAL . 21.5 m0 -55.9 102.73 0.08 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.485 1.116 . . . . 73.14 108.012 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 25' ' ' ASN . . . . . 0.517 ' HA ' ' CE2' ' A' ' 66' ' ' TRP . 6.0 p-10 -65.25 179.68 0.71 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.528 1.142 . . . . 72.2 109.291 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 26' ' ' PHE . . . . . 0.627 ' CD1' ' N ' ' A' ' 27' ' ' ASP . 18.3 p90 -47.76 -43.95 27.8 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.47 1.106 . . . . 75.54 110.961 -179.959 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 27' ' ' ASP . . . . . 0.627 ' N ' ' CD1' ' A' ' 26' ' ' PHE . 26.9 t70 -61.29 -58.89 6.43 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.517 1.135 . . . . 71.35 109.311 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 19.8 t0 -59.45 -20.62 56.58 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.486 1.116 . . . . 73.54 109.282 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.715 ' CD2' HD21 ' A' ' 60' ' ' LEU . 1.7 tp -73.01 -59.41 2.72 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.481 1.113 . . . . 73.14 109.308 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 18.8 mm -49.55 -46.71 20.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.516 1.135 . . . . 74.04 109.282 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 3.4 mmt -62.5 -25.16 67.87 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.49 1.119 . . . . 64.14 111.018 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 32' ' ' ALA . . . . . 0.613 ' HB3' ' O ' ' A' ' 29' ' ' LEU . . . -63.12 -61.5 2.33 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.535 1.147 . . . . 73.23 109.284 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.595 ' H ' HD12 ' A' ' 33' ' ' ILE . 4.4 mp -59.29 -45.2 93.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.479 1.112 . . . . 72.2 109.296 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 1.2 m-80 -52.33 -21.76 3.87 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.484 1.115 . . . . 51.44 109.299 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 5.0 t -77.81 -42.06 35.06 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.489 1.118 . . . . 70.02 110.009 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 36' ' ' LYS . . . . . 0.721 ' CE ' HD23 ' A' ' 18' ' ' LEU . 2.2 mptp? -68.63 -36.47 78.67 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.543 1.152 . . . . 72.41 109.267 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 37' ' ' ILE . . . . . 0.701 HD13 HD11 ' A' ' 45' ' ' ILE . 0.6 OUTLIER -89.27 -1.54 9.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.492 1.12 . . . . 74.45 109.282 -179.99 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 38.8 t . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.492 1.12 . . . . 71.04 109.984 -179.974 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 N--CA 1.453 -0.905 0 N-CA-C 110.99 -0.427 . . . . 74.53 110.99 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 45' ' ' ILE . . . . . 0.76 HG12 HD21 ' A' ' 85' ' ' LEU . 1.3 pp -144.83 110.8 1.21 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.525 1.141 . . . . 74.03 109.263 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 11.0 p -86.21 -14.23 44.54 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.507 1.13 . . . . 71.32 110.424 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 1.3 mmmm -113.4 122.15 46.49 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.471 1.107 . . . . 71.34 109.339 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 3.7 pt -125.43 169.09 17.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.519 1.137 . . . . 65.1 109.276 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 49' ' ' LYS . . . . . 0.482 ' HD2' HH21 ' A' ' 84' ' ' ARG . 26.9 mttp -128.13 107.42 9.79 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.508 1.13 . . . . 74.2 109.307 179.945 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 50' ' ' TYR . . . . . 0.706 ' HB2' HD11 ' A' ' 81' ' ' LEU . 10.6 p90 -97.46 148.86 22.78 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.512 1.133 . . . . 72.33 111.031 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 50.5 tt0 -77.13 147.57 36.5 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.533 1.145 . . . . 73.41 110.297 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -110.82 -172.84 2.11 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.498 1.124 . . . . 71.11 109.28 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 53' ' ' GLU . . . . . 0.485 ' CB ' ' OD1' ' A' ' 76' ' ' ASN . 2.0 pp20? -66.6 -31.73 72.6 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.496 1.122 . . . . 73.22 110.272 -179.952 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 5.5 t0 -89.18 14.41 10.94 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.534 1.146 . . . . 53.21 109.332 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 56.52 16.83 17.34 Favored Glycine 0 CA--C 1.531 1.066 0 O-C-N 124.514 1.134 . . . . 75.55 110.976 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 24.4 m-20 -88.87 105.99 18.1 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.511 0.771 . . . . 64.01 109.273 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 57' ' ' PHE . . . . . 0.432 ' CD1' ' O ' ' A' ' 57' ' ' PHE . 17.2 p90 -50.05 119.19 3.41 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.513 1.133 . . . . 63.04 111.051 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.626 HG23 ' CE1' ' A' ' 50' ' ' TYR . 0.1 OUTLIER -122.75 149.18 26.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.482 1.114 . . . . 64.33 109.31 -179.963 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 7.2 p -74.77 146.85 9.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.53 1.144 . . . . 72.15 109.318 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.999 HD12 ' N ' ' A' ' 61' ' ' GLY . 0.3 OUTLIER -136.35 125.21 24.09 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.475 1.11 . . . . 72.32 109.272 -179.983 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 61' ' ' GLY . . . . . 0.999 ' N ' HD12 ' A' ' 60' ' ' LEU . . . -165.22 29.17 0.21 Allowed Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.51 1.131 . . . . 55.5 111.025 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 75.6 m -158.4 -179.47 8.12 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.513 0.772 . . . . 75.32 110.003 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 63' ' ' ASP . . . . . 0.572 ' OD1' ' CE3' ' A' ' 66' ' ' TRP . 8.1 t70 -77.45 -29.62 52.92 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.471 1.107 . . . . 64.52 109.292 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 64' ' ' GLU . . . . . 0.694 ' O ' HG23 ' A' ' 68' ' ' VAL . 8.7 pt-20 -67.33 -38.66 85.25 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.546 1.154 . . . . 64.22 110.314 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 65' ' ' ASP . . . . . 0.449 ' O ' ' HB2' ' A' ' 69' ' ' ALA . 10.2 m-20 -84.85 -14.48 47.81 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.512 1.133 . . . . 62.51 109.309 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 66' ' ' TRP . . . . . 0.594 ' CZ3' ' OD1' ' A' ' 67' ' ' ASN . 5.3 t90 -94.26 -23.44 17.86 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.518 1.136 . . . . 54.43 107.995 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 67' ' ' ASN . . . . . 0.594 ' OD1' ' CZ3' ' A' ' 66' ' ' TRP . 34.7 m-20 -93.2 -51.7 4.89 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.497 1.123 . . . . 71.33 109.262 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 68' ' ' VAL . . . . . 0.694 HG23 ' O ' ' A' ' 64' ' ' GLU . 61.3 t -61.98 -15.09 13.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.131 . . . . 63.41 109.326 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 69' ' ' ALA . . . . . 0.449 ' HB2' ' O ' ' A' ' 65' ' ' ASP . . . -89.32 -42.52 11.53 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.485 1.116 . . . . 73.42 109.271 -179.959 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 70' ' ' LYS . . . . . 0.415 ' NZ ' ' O ' ' A' ' 22' ' ' LYS . 9.3 mtmt -69.85 -59.44 2.93 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.48 1.113 . . . . 74.41 109.284 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 37.4 mt-10 -46.54 -25.88 0.77 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.519 1.137 . . . . 53.24 110.366 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 72' ' ' MET . . . . . 0.447 ' CG ' ' HB3' ' A' ' 53' ' ' GLU . 11.7 tpp -73.79 -41.6 62.15 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.501 1.126 . . . . 63.24 110.988 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.622 HD12 HD13 ' A' ' 5' ' ' ILE . 5.9 mt -47.27 -45.16 23.7 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.524 1.14 . . . . 51.35 109.309 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -57.24 -35.12 69.32 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.473 1.108 . . . . 73.12 109.309 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 75' ' ' GLU . . . . . 0.429 ' N ' ' O ' ' A' ' 72' ' ' MET . 6.0 mm-40 -81.82 -26.04 34.67 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.484 1.115 . . . . 44.32 110.292 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 76' ' ' ASN . . . . . 0.485 ' OD1' ' CB ' ' A' ' 53' ' ' GLU . 81.6 m-20 -83.55 -11.95 56.75 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.481 1.113 . . . . 72.41 109.346 179.949 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 5.0 m120 60.55 34.65 20.27 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.47 1.106 . . . . 72.0 109.291 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 78' ' ' GLU . . . . . 0.454 ' HB2' ' CD1' ' A' ' 80' ' ' PHE . 8.9 pt-20 -123.46 147.4 47.21 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.496 1.122 . . . . 74.14 110.293 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 6.0 mmpt? -111.72 35.36 3.7 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.473 1.108 . . . . 73.23 109.305 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 80' ' ' PHE . . . . . 0.454 ' CD1' ' HB2' ' A' ' 78' ' ' GLU . 9.1 p90 -147.37 176.81 9.72 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.519 1.137 . . . . 73.03 111.03 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.795 HD13 ' H ' ' A' ' 82' ' ' ASN . 0.5 OUTLIER -142.37 159.62 41.87 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.489 1.118 . . . . 64.14 109.287 -179.973 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 82' ' ' ASN . . . . . 0.795 ' H ' HD13 ' A' ' 81' ' ' LEU . 1.0 OUTLIER -133.44 109.58 9.4 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.462 1.102 . . . . 74.02 109.297 179.98 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 83' ' ' ILE . . . . . 0.556 HD13 ' HA ' ' A' ' 50' ' ' TYR . 27.6 mm -104.71 156.06 6.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.52 1.138 . . . . 73.33 109.322 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 84' ' ' ARG . . . . . 0.482 HH21 ' HD2' ' A' ' 49' ' ' LYS . 14.2 ttp85 -122.32 150.25 42.64 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.496 1.122 . . . . 75.33 110.316 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.76 HD21 HG12 ' A' ' 45' ' ' ILE . 7.6 tp -140.52 123.84 16.81 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.529 1.143 . . . . 71.42 109.264 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 19.6 p90 . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.435 1.084 . . . . 65.44 111.034 179.942 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.453 -0.281 0 N-CA-C 110.0 -0.37 . . . . 72.13 110.0 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 5' ' ' ILE . . . . . 0.68 HD11 ' NZ ' ' A' ' 22' ' ' LYS . 10.6 mt -129.55 148.75 33.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.538 1.149 . . . . 62.42 109.296 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.871 HD22 ' H ' ' A' ' 7' ' ' PHE . 0.8 OUTLIER -102.18 147.28 26.82 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.48 1.113 . . . . 63.43 109.3 179.967 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 7' ' ' PHE . . . . . 0.871 ' H ' HD22 ' A' ' 6' ' ' LEU . 2.3 m-85 -127.6 122.83 34.18 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.5 1.125 . . . . 73.2 111.027 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 8' ' ' ARG . . . . . 0.871 ' HG2' HG22 ' A' ' 17' ' ' THR . 11.3 mtm180 -103.52 90.05 3.55 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.478 1.111 . . . . 65.1 110.252 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.664 ' H ' HD12 ' A' ' 9' ' ' ILE . 4.3 mp -66.17 147.96 12.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.505 1.128 . . . . 72.25 109.305 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 10' ' ' SER . . . . . 0.847 ' OG ' HG23 ' A' ' 15' ' ' ILE . 11.3 m . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.465 1.103 . . . . 60.44 110.001 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.847 HG23 ' OG ' ' A' ' 10' ' ' SER . 1.5 mp . . . . . 0 N--CA 1.453 -0.305 0 N-CA-C 109.327 -0.62 . . . . 64.43 109.327 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 16' ' ' PHE . . . . . 0.412 ' O ' ' HA ' ' A' ' 8' ' ' ARG . 22.0 m-85 -120.46 178.62 4.6 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.543 1.152 . . . . 71.21 111.011 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.871 HG22 ' HG2' ' A' ' 8' ' ' ARG . 26.4 p -125.46 153.59 43.29 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.502 1.126 . . . . 61.21 110.4 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.683 ' C ' HD23 ' A' ' 18' ' ' LEU . 4.5 tt -155.76 127.44 7.36 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.495 1.122 . . . . 55.01 109.307 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.583 ' N ' HD23 ' A' ' 18' ' ' LEU . 0.2 OUTLIER -86.01 115.93 23.91 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.487 1.117 . . . . 34.32 109.287 179.989 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.605 HG11 ' CD1' ' A' ' 7' ' ' PHE . 2.9 p -116.72 115.58 49.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.491 1.12 . . . . 51.1 109.285 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 21' ' ' GLU . . . . . 0.506 ' HB3' HG12 ' A' ' 23' ' ' VAL . 10.6 mm-40 -58.72 169.53 0.95 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.488 1.118 . . . . 42.42 110.307 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 22' ' ' LYS . . . . . 0.68 ' NZ ' HD11 ' A' ' 5' ' ' ILE . 40.8 mttm -87.58 11.33 15.25 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.498 1.124 . . . . 74.22 109.287 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.506 HG12 ' HB3' ' A' ' 21' ' ' GLU . 0.2 OUTLIER -112.15 -15.26 10.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.496 1.122 . . . . 74.12 109.332 179.978 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 24' ' ' TRP . . . . . 0.486 ' CD1' ' HB2' ' A' ' 21' ' ' GLU . 21.3 m0 -75.94 87.21 2.89 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.514 1.134 . . . . 72.32 108.024 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 25' ' ' ASN . . . . . 0.413 ' OD1' ' N ' ' A' ' 25' ' ' ASN . 6.9 p-10 -52.3 -179.82 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.505 1.128 . . . . 64.13 109.356 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 26' ' ' PHE . . . . . 0.524 ' CD1' ' N ' ' A' ' 27' ' ' ASP . 33.0 p90 -48.07 -39.65 20.8 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.48 1.112 . . . . 72.34 110.984 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 27' ' ' ASP . . . . . 0.524 ' N ' ' CD1' ' A' ' 26' ' ' PHE . 15.6 t70 -63.39 -63.68 1.12 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.485 1.116 . . . . 72.22 109.317 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 28' ' ' ASP . . . . . 0.467 ' HB2' ' CA ' ' A' ' 24' ' ' TRP . 8.0 m-20 -53.86 -24.37 15.63 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.53 1.144 . . . . 73.33 109.316 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.531 HD21 HD11 ' A' ' 48' ' ' ILE . 2.2 tp -69.06 -51.32 40.05 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.511 1.132 . . . . 62.13 109.242 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 30' ' ' ILE . . . . . 0.401 HD13 ' HA ' ' A' ' 30' ' ' ILE . 28.0 mm -64.67 -40.17 88.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.542 1.151 . . . . 63.52 109.303 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 11.2 mmt -66.4 -24.86 66.54 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.537 1.148 . . . . 74.43 110.979 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -69.58 -64.06 0.95 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.453 1.095 . . . . 75.14 109.266 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.516 ' O ' HG23 ' A' ' 37' ' ' ILE . 3.8 mp -58.51 -34.9 52.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.531 1.145 . . . . 65.11 109.293 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -60.28 -20.26 58.34 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.524 1.14 . . . . 74.24 109.291 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 11.7 t -82.49 -47.04 12.65 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.462 1.102 . . . . 61.22 109.967 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 36' ' ' LYS . . . . . 0.63 ' HD3' HD12 ' A' ' 18' ' ' LEU . 0.6 OUTLIER -63.54 -36.88 85.24 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.53 1.144 . . . . 71.34 109.26 -179.947 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 37' ' ' ILE . . . . . 0.546 HD12 HG13 ' A' ' 45' ' ' ILE . 1.4 pt -84.57 -13.18 11.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.547 1.154 . . . . 72.44 109.309 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 17.8 t . . . . . 0 C--N 1.325 -0.489 0 O-C-N 124.482 1.114 . . . . 74.3 109.997 -179.975 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 N--CA 1.454 -0.847 0 N-CA-C 110.992 -0.426 . . . . 75.3 110.992 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 45' ' ' ILE . . . . . 0.659 HD12 ' O ' ' A' ' 45' ' ' ILE . 1.4 pp -139.8 134.37 37.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.439 1.087 . . . . 71.3 109.289 -179.956 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 9.9 t -94.47 -41.98 9.09 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.5 1.125 . . . . 73.14 110.421 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 3.6 ptpp? -89.12 135.48 33.54 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.503 1.127 . . . . 71.14 109.287 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.58 HG22 HD11 ' A' ' 85' ' ' LEU . 17.6 pt -133.46 131.72 57.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.488 1.117 . . . . 72.23 109.324 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 4.8 mmtp -88.98 110.21 20.93 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.44 1.087 . . . . 70.31 109.276 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 50' ' ' TYR . . . . . 0.726 ' CE1' HG23 ' A' ' 58' ' ' VAL . 6.5 p90 -108.3 143.34 37.31 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.476 1.11 . . . . 52.11 111.024 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 24.7 tt0 -76.13 148.28 37.95 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.494 1.121 . . . . 72.31 110.32 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 30.3 p30 -120.12 -173.35 2.54 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.507 1.129 . . . . 74.44 109.296 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 16.2 pt-20 -58.53 -49.11 78.58 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.474 1.109 . . . . 70.11 110.285 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 25.1 t0 -49.77 -23.63 1.93 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.469 1.105 . . . . 75.31 109.349 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 91.46 13.09 58.9 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.457 1.098 . . . . 55.24 110.977 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 81.1 m-20 -103.24 160.74 14.41 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.51 0.77 . . . . 73.41 109.261 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 2.5 m-85 -96.29 117.21 30.35 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.502 1.126 . . . . 72.3 110.996 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.726 HG23 ' CE1' ' A' ' 50' ' ' TYR . 0.4 OUTLIER -117.56 142.88 29.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.509 1.131 . . . . 73.35 109.324 -179.984 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 26.6 t -57.56 152.14 3.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 O-C-N 124.528 1.142 . . . . 72.53 109.303 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.645 HD12 ' N ' ' A' ' 61' ' ' GLY . 0.6 OUTLIER -149.23 118.8 6.95 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.502 1.126 . . . . 74.3 109.309 179.986 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 61' ' ' GLY . . . . . 0.645 ' N ' HD12 ' A' ' 60' ' ' LEU . . . -156.86 27.99 0.53 Allowed Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.53 1.144 . . . . 62.41 110.976 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 52.4 m -147.68 168.78 21.19 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.537 0.787 . . . . 65.43 110.017 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -74.26 -30.03 61.94 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.501 1.126 . . . . 73.43 109.309 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 64' ' ' GLU . . . . . 0.481 ' O ' ' CG2' ' A' ' 68' ' ' VAL . 7.1 tt0 -77.02 -16.26 59.35 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.504 1.127 . . . . 74.4 110.327 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 65' ' ' ASP . . . . . 0.408 ' C ' HD13 ' A' ' 60' ' ' LEU . 34.6 m-20 -102.27 -18.35 15.5 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.469 1.106 . . . . 52.53 109.263 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 66' ' ' TRP . . . . . 0.598 ' O ' ' CE3' ' A' ' 66' ' ' TRP . 3.5 t-105 -96.07 -23.79 16.63 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.514 1.134 . . . . 75.13 107.994 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 6.2 t30 -88.54 -47.7 8.12 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.511 1.132 . . . . 71.23 109.297 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 68' ' ' VAL . . . . . 0.481 ' CG2' ' O ' ' A' ' 64' ' ' GLU . 55.6 t -60.94 -28.3 43.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.476 1.11 . . . . 74.51 109.282 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 69' ' ' ALA . . . . . 0.61 ' HB2' ' CE2' ' A' ' 50' ' ' TYR . . . -77.62 -32.93 53.77 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.47 1.106 . . . . 72.43 109.279 -179.946 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 70' ' ' LYS . . . . . 0.557 ' HD3' ' CH2' ' A' ' 66' ' ' TRP . 3.4 mtmp? -70.9 -57.56 4.47 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.512 1.132 . . . . 74.22 109.314 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -48.99 -23.15 1.03 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.522 1.139 . . . . 73.45 110.263 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 72' ' ' MET . . . . . 0.426 ' O ' ' N ' ' A' ' 75' ' ' GLU . 6.0 ttm -76.62 -38.63 54.38 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.547 1.154 . . . . 64.22 110.991 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.432 HD11 HD12 ' A' ' 81' ' ' LEU . 14.0 mt -47.24 -52.59 15.6 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.542 1.152 . . . . 64.21 109.314 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -54.2 -29.71 47.1 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.506 1.129 . . . . 53.2 109.318 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 75' ' ' GLU . . . . . 0.426 ' N ' ' O ' ' A' ' 72' ' ' MET . 59.3 mt-10 -83.52 -27.98 28.98 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.454 1.096 . . . . 74.52 110.27 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 76' ' ' ASN . . . . . 0.403 ' CB ' ' CD ' ' A' ' 78' ' ' GLU . 75.3 m-20 -89.1 13.56 12.8 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.526 1.141 . . . . 72.33 109.295 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 77' ' ' ASN . . . . . 0.403 ' C ' ' O ' ' A' ' 76' ' ' ASN . 39.8 m-80 40.44 32.89 0.15 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.518 1.136 . . . . 75.11 109.305 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 78' ' ' GLU . . . . . 0.48 ' HB2' ' CE2' ' A' ' 80' ' ' PHE . 6.2 pt-20 -128.19 121.28 29.06 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.484 1.115 . . . . 72.33 110.287 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 1.4 tppp? -87.53 5.08 40.97 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.544 1.153 . . . . 72.22 109.265 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 80' ' ' PHE . . . . . 0.48 ' CE2' ' HB2' ' A' ' 78' ' ' GLU . 10.6 p90 -114.27 155.43 26.18 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.509 1.131 . . . . 73.44 111.013 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.792 HD23 ' N ' ' A' ' 82' ' ' ASN . 2.7 tt -127.61 165.82 19.24 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.499 1.125 . . . . 71.3 109.307 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 82' ' ' ASN . . . . . 0.792 ' N ' HD23 ' A' ' 81' ' ' LEU . 7.5 t-20 -136.69 136.81 39.37 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.447 1.092 . . . . 75.22 109.273 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 83' ' ' ILE . . . . . 0.663 HD13 ' HA ' ' A' ' 50' ' ' TYR . 47.6 mm -133.37 145.22 34.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.529 1.143 . . . . 60.23 109.311 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 84' ' ' ARG . . . . . 0.484 ' CG ' ' O ' ' A' ' 84' ' ' ARG . 0.6 OUTLIER -139.65 123.66 17.73 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.559 1.162 . . . . 73.53 110.309 179.978 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.58 HD11 HG22 ' A' ' 48' ' ' ILE . 3.5 mm? -98.78 149.81 22.49 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.511 1.132 . . . . 70.42 109.341 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 7.8 t80 . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.496 1.122 . . . . 63.33 111.0 -179.971 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.453 -0.319 0 N-CA-C 110.036 -0.357 . . . . 62.14 110.036 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 5' ' ' ILE . . . . . 0.638 HD13 HD12 ' A' ' 73' ' ' LEU . 32.4 mt -138.59 143.19 32.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.487 1.117 . . . . 60.2 109.292 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.983 HD13 ' N ' ' A' ' 7' ' ' PHE . 2.9 tm? -96.66 148.19 23.12 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 53.44 109.286 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 7' ' ' PHE . . . . . 0.983 ' N ' HD13 ' A' ' 6' ' ' LEU . 1.5 m-85 -124.73 120.79 32.8 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.533 1.145 . . . . 61.31 111.037 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 8' ' ' ARG . . . . . 0.533 ' HB3' HG23 ' A' ' 15' ' ' ILE . 9.1 mtt180 -89.08 114.28 25.5 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.49 1.118 . . . . 75.53 110.318 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.882 HG23 HD23 ' A' ' 85' ' ' LEU . 4.1 mm -95.25 103.08 14.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.453 1.096 . . . . 75.31 109.295 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 10' ' ' SER . . . . . 0.787 ' HB2' HD13 ' A' ' 15' ' ' ILE . 2.3 t . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.533 1.146 . . . . 75.02 110.035 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.787 HD13 ' HB2' ' A' ' 10' ' ' SER . 1.8 mm . . . . . 0 N--CA 1.453 -0.29 0 N-CA-C 109.329 -0.619 . . . . 61.13 109.329 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 16' ' ' PHE . . . . . 0.443 ' CB ' ' HB ' ' A' ' 9' ' ' ILE . 0.0 OUTLIER -107.36 -171.65 1.92 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.51 1.131 . . . . 63.35 111.01 -179.964 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 2.1 p -139.15 129.78 25.94 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.503 1.127 . . . . 72.13 110.39 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.568 HD22 ' N ' ' A' ' 19' ' ' LEU . 0.5 OUTLIER -142.96 109.25 5.3 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.527 1.142 . . . . 71.34 109.312 -179.987 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.568 ' N ' HD22 ' A' ' 18' ' ' LEU . 0.4 OUTLIER -73.54 115.36 12.84 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.488 1.117 . . . . 72.34 109.313 179.974 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.534 HG23 ' CE3' ' A' ' 24' ' ' TRP . 15.0 p -123.49 121.3 62.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.516 1.135 . . . . 65.31 109.312 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 21' ' ' GLU . . . . . 0.566 ' HB2' ' CD1' ' A' ' 24' ' ' TRP . 71.2 mt-10 -62.19 168.62 3.25 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.493 1.121 . . . . 73.42 110.304 179.942 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 10.3 mtpt -89.69 15.48 9.54 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.507 1.129 . . . . 71.44 109.323 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.498 HG12 ' HB3' ' A' ' 21' ' ' GLU . 0.2 OUTLIER -115.02 -37.16 2.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.468 1.105 . . . . 71.21 109.281 179.994 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 24' ' ' TRP . . . . . 0.566 ' CD1' ' HB2' ' A' ' 21' ' ' GLU . 17.3 m0 -51.58 105.87 0.12 Allowed 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 107.99 -1.115 . . . . 65.45 107.99 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 19.4 p-10 -61.78 -179.79 0.21 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.527 1.142 . . . . 74.11 109.311 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 26' ' ' PHE . . . . . 0.4 ' CG ' ' N ' ' A' ' 27' ' ' ASP . 49.6 p90 -54.58 -38.78 67.12 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.499 1.124 . . . . 72.54 111.002 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 27' ' ' ASP . . . . . 0.4 ' N ' ' CG ' ' A' ' 26' ' ' PHE . 12.4 t0 -59.73 -64.73 0.84 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.548 1.155 . . . . 71.03 109.311 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 78.1 m-20 -54.1 -27.07 30.61 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.537 1.148 . . . . 63.03 109.321 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 1.037 HD21 HD21 ' A' ' 60' ' ' LEU . 1.3 tp -66.06 -60.96 2.32 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.525 1.141 . . . . 75.24 109.309 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 30' ' ' ILE . . . . . 0.446 HD13 ' HA ' ' A' ' 30' ' ' ILE . 22.2 mm -51.28 -34.16 14.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.471 1.107 . . . . 62.22 109.318 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 11.1 mmt -80.32 -24.44 39.91 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.51 1.131 . . . . 73.03 111.012 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -67.95 -41.78 81.95 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.476 1.11 . . . . 73.02 109.284 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.613 ' O ' HG23 ' A' ' 37' ' ' ILE . 2.0 mp -77.64 -41.35 28.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.507 1.129 . . . . 54.43 109.287 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 1.5 m-80 -64.31 -12.94 46.83 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.509 1.131 . . . . 75.55 109.285 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 35.7 t -90.53 -29.82 17.64 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.533 1.146 . . . . 72.25 110.007 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 36' ' ' LYS . . . . . 0.501 ' CD ' HD23 ' A' ' 18' ' ' LEU . 9.3 mptt -83.31 -35.88 24.89 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.524 1.14 . . . . 63.14 109.307 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 37' ' ' ILE . . . . . 0.617 HD13 HD11 ' A' ' 45' ' ' ILE . 0.9 OUTLIER -86.05 -12.61 11.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.555 1.159 . . . . 71.15 109.286 180.0 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.324 -0.506 0 O-C-N 124.469 1.105 . . . . 62.41 110.004 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 N--CA 1.453 -0.859 0 N-CA-C 111.011 -0.419 . . . . 61.12 111.011 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 45' ' ' ILE . . . . . 0.651 HG12 HD12 ' A' ' 85' ' ' LEU . 1.4 pp -132.09 104.93 8.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.521 1.138 . . . . 61.13 109.306 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 24.9 p -69.05 -14.12 62.84 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.466 1.104 . . . . 75.42 110.38 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 24.0 mtpp -123.25 132.95 54.21 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.492 1.12 . . . . 71.45 109.288 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.553 HG22 HD11 ' A' ' 85' ' ' LEU . 20.2 pt -122.85 160.06 25.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.474 1.109 . . . . 62.4 109.3 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 49' ' ' LYS . . . . . 0.552 ' NZ ' HG23 ' A' ' 59' ' ' VAL . 21.8 tttp -122.54 109.64 14.58 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.503 1.127 . . . . 72.51 109.286 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 50' ' ' TYR . . . . . 0.783 ' CE2' ' HB2' ' A' ' 69' ' ' ALA . 9.7 p90 -100.65 149.0 24.22 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.447 1.092 . . . . 63.41 111.009 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 51' ' ' GLN . . . . . 0.478 ' O ' ' CD2' ' A' ' 50' ' ' TYR . 44.5 tt0 -66.75 152.74 44.91 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.542 1.151 . . . . 70.34 110.3 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 16.1 t0 -114.05 -174.59 2.5 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.505 1.128 . . . . 72.11 109.323 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 53' ' ' GLU . . . . . 0.43 ' N ' ' SD ' ' A' ' 72' ' ' MET . 4.6 pt-20 -75.61 -19.6 59.12 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.514 1.134 . . . . 74.02 110.282 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -87.23 10.56 16.6 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.481 1.113 . . . . 75.01 109.27 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 65.04 12.7 55.78 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.541 1.15 . . . . 63.44 111.0 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -103.42 153.05 20.91 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.49 0.759 . . . . 75.13 109.313 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 5.1 m-85 -79.65 135.51 36.58 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.492 1.12 . . . . 72.42 111.049 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.486 HG23 ' O ' ' A' ' 50' ' ' TYR . 0.2 OUTLIER -134.48 144.27 35.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.522 1.139 . . . . 73.3 109.329 -180.0 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 59' ' ' VAL . . . . . 0.552 HG23 ' NZ ' ' A' ' 49' ' ' LYS . 48.8 t -66.73 163.84 2.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.495 1.122 . . . . 74.45 109.338 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 1.037 HD21 HD21 ' A' ' 29' ' ' LEU . 0.3 OUTLIER -156.55 115.17 3.36 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.492 1.12 . . . . 72.52 109.311 -179.951 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 61' ' ' GLY . . . . . 0.701 ' N ' HD12 ' A' ' 60' ' ' LEU . . . -152.57 21.3 0.82 Allowed Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.485 1.115 . . . . 63.11 110.997 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 22.8 m -153.35 -176.41 5.79 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.532 0.784 . . . . 60.14 110.01 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 10.7 t0 -80.27 -26.5 38.91 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.529 1.143 . . . . 72.35 109.279 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 64' ' ' GLU . . . . . 0.491 ' O ' ' CG2' ' A' ' 68' ' ' VAL . 6.9 pt-20 -70.52 -14.64 62.6 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.536 1.147 . . . . 62.05 110.281 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -112.22 -14.86 13.31 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.498 1.124 . . . . 61.42 109.291 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 66' ' ' TRP . . . . . 0.518 ' CE2' ' HD3' ' A' ' 70' ' ' LYS . 0.1 OUTLIER -94.37 -23.3 17.84 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.503 1.127 . . . . 73.34 107.99 -179.996 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 8.1 t30 -95.99 -34.87 11.61 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.52 1.138 . . . . 65.43 109.279 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 68' ' ' VAL . . . . . 0.491 ' CG2' ' O ' ' A' ' 64' ' ' GLU . 4.2 t -66.55 -22.68 30.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.556 1.16 . . . . 61.32 109.322 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 69' ' ' ALA . . . . . 0.783 ' HB2' ' CE2' ' A' ' 50' ' ' TYR . . . -90.3 -44.05 9.96 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.481 1.113 . . . . 72.44 109.311 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 70' ' ' LYS . . . . . 0.518 ' HD3' ' CE2' ' A' ' 66' ' ' TRP . 14.8 mtpp -60.45 -41.52 94.27 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.482 1.114 . . . . 73.02 109.292 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 47.7 mm-40 -70.45 -22.81 62.66 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.49 1.119 . . . . 74.02 110.3 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 72' ' ' MET . . . . . 0.43 ' SD ' ' N ' ' A' ' 53' ' ' GLU . 9.7 ttp -76.59 -29.09 56.42 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.51 1.131 . . . . 71.11 110.972 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.638 HD12 HD13 ' A' ' 5' ' ' ILE . 4.6 mt -62.29 -38.73 90.5 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.494 1.121 . . . . 61.31 109.33 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -65.19 -29.46 70.28 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.516 1.135 . . . . 54.24 109.312 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 64.9 mt-10 -84.82 -26.72 27.27 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.461 1.101 . . . . 62.54 110.314 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 3.1 m120 -90.79 -12.13 37.35 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.514 1.134 . . . . 71.3 109.33 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 33.1 m-80 62.01 43.43 9.01 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.56 1.163 . . . . 71.04 109.307 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 78' ' ' GLU . . . . . 0.408 ' CD ' HD22 ' A' ' 73' ' ' LEU . 13.9 pt-20 -121.23 163.97 17.68 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.503 1.127 . . . . 75.22 110.29 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 79' ' ' LYS . . . . . 0.68 ' H ' ' HZ3' ' A' ' 79' ' ' LYS . 0.0 OUTLIER -121.02 -1.66 9.81 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.467 1.104 . . . . 74.23 109.301 -179.977 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 32.4 p90 -122.11 173.72 7.39 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.495 1.122 . . . . 63.23 111.045 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.768 HD21 ' HB2' ' A' ' 50' ' ' TYR . 0.7 OUTLIER -134.09 173.76 11.23 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.509 1.131 . . . . 72.13 109.318 179.999 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 82' ' ' ASN . . . . . 0.671 ' H ' HD23 ' A' ' 81' ' ' LEU . 1.5 t30 -135.34 105.78 6.41 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.526 1.141 . . . . 63.31 109.305 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 83' ' ' ILE . . . . . 0.759 HD11 HD22 ' A' ' 81' ' ' LEU . 23.7 mm -104.86 146.68 11.76 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.515 1.135 . . . . 74.2 109.289 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 84' ' ' ARG . . . . . 0.646 ' C ' HD22 ' A' ' 85' ' ' LEU . 15.8 ttm-85 -118.92 140.11 50.53 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.498 1.124 . . . . 72.21 110.274 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.882 HD23 HG23 ' A' ' 9' ' ' ILE . 2.9 mm? -137.28 116.65 12.73 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.536 1.147 . . . . 72.33 109.32 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 7.8 t80 . . . . . 0 C--N 1.325 -0.489 0 O-C-N 124.531 1.144 . . . . 73.4 110.955 -179.962 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 4' ' ' SER . . . . . 0.406 ' HB2' HD11 ' A' ' 19' ' ' LEU . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.292 0 N-CA-C 109.971 -0.381 . . . . 72.14 109.971 . . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 5' ' ' ILE . . . . . 0.438 HG13 ' CE ' ' A' ' 22' ' ' LYS . 71.0 mt -134.13 155.91 40.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.503 1.127 . . . . 72.3 109.282 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -102.63 154.96 18.63 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.481 1.113 . . . . 73.2 109.328 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 7' ' ' PHE . . . . . 0.595 ' CE2' HD11 ' A' ' 29' ' ' LEU . 0.3 OUTLIER -142.37 107.59 4.98 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.537 1.148 . . . . 63.21 111.028 179.98 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 8' ' ' ARG . . . . . 0.431 ' HG2' HG22 ' A' ' 17' ' ' THR . 17.2 mtp180 -88.41 120.92 30.24 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.502 1.126 . . . . 74.25 110.318 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.522 HG12 HG23 ' A' ' 33' ' ' ILE . 3.8 mp -101.3 94.34 3.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.556 1.16 . . . . 73.52 109.286 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 10' ' ' SER . . . . . 0.936 ' OG ' HG23 ' A' ' 15' ' ' ILE . 19.1 m . . . . . 0 C--N 1.324 -0.5 0 O-C-N 124.506 1.129 . . . . 75.54 109.963 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.936 HG23 ' OG ' ' A' ' 10' ' ' SER . 1.4 mp . . . . . 0 N--CA 1.453 -0.318 0 N-CA-C 109.319 -0.623 . . . . 44.15 109.319 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 16' ' ' PHE . . . . . 0.411 ' O ' ' HA ' ' A' ' 8' ' ' ARG . 24.6 m-85 -119.41 -176.91 3.24 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.589 1.18 . . . . 75.12 111.03 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.431 HG22 ' HG2' ' A' ' 8' ' ' ARG . 3.1 p -130.29 154.98 47.06 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.509 1.13 . . . . 73.12 110.388 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.818 HD11 ' HB1' ' A' ' 32' ' ' ALA . 2.9 tm? -154.29 105.79 2.72 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.527 1.142 . . . . 73.54 109.265 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.496 ' CD1' ' C ' ' A' ' 19' ' ' LEU . 0.2 OUTLIER -71.89 105.96 4.03 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.473 1.108 . . . . 73.52 109.352 179.951 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.666 HG23 ' CE3' ' A' ' 24' ' ' TRP . 13.3 p -107.5 124.04 63.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.531 1.144 . . . . 74.15 109.271 -179.95 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 21' ' ' GLU . . . . . 0.558 ' HB2' ' CD1' ' A' ' 24' ' ' TRP . 21.4 mt-10 -61.86 168.92 2.81 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.47 1.106 . . . . 72.24 110.299 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 22' ' ' LYS . . . . . 0.438 ' CE ' HG13 ' A' ' 5' ' ' ILE . 70.4 mttt -87.79 11.94 14.19 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.468 1.105 . . . . 73.34 109.289 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.494 HG12 ' HB3' ' A' ' 21' ' ' GLU . 0.2 OUTLIER -111.85 -32.25 2.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.473 1.108 . . . . 53.34 109.345 179.996 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 24' ' ' TRP . . . . . 0.666 ' CE3' HG23 ' A' ' 20' ' ' VAL . 16.2 m0 -58.87 89.17 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.522 1.139 . . . . 75.34 108.016 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 25' ' ' ASN . . . . . 0.513 ' HA ' ' CE2' ' A' ' 66' ' ' TRP . 10.7 p-10 -52.86 177.47 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.485 1.115 . . . . 64.42 109.347 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 26' ' ' PHE . . . . . 0.469 ' CG ' ' N ' ' A' ' 27' ' ' ASP . 10.5 p90 -46.83 -38.13 9.78 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.502 1.126 . . . . 64.54 110.954 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 27' ' ' ASP . . . . . 0.469 ' N ' ' CG ' ' A' ' 26' ' ' PHE . 2.6 t0 -61.21 -71.69 0.14 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.509 1.131 . . . . 64.44 109.274 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -47.39 -29.61 2.74 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.477 1.111 . . . . 72.34 109.293 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.595 HD11 ' CE2' ' A' ' 7' ' ' PHE . 1.7 tp -61.11 -55.26 34.51 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.459 1.1 . . . . 42.04 109.309 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 30' ' ' ILE . . . . . 0.473 HD13 ' HA ' ' A' ' 30' ' ' ILE . 15.3 mm -57.2 -43.85 82.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.516 1.135 . . . . 73.0 109.277 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 26.0 mtp -66.54 -24.39 66.36 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.48 1.112 . . . . 74.14 111.049 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 32' ' ' ALA . . . . . 0.818 ' HB1' HD11 ' A' ' 18' ' ' LEU . . . -65.43 -54.25 31.32 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.526 1.141 . . . . 71.11 109.289 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.522 HG23 HG12 ' A' ' 9' ' ' ILE . 4.3 mp -67.0 -46.65 84.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.128 . . . . 75.43 109.301 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 1.3 m-80 -53.15 -21.34 4.86 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.486 1.116 . . . . 71.12 109.31 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 2.3 t -73.21 -37.27 66.49 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.442 1.089 . . . . 74.31 110.033 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 36' ' ' LYS . . . . . 0.584 ' CE ' HD23 ' A' ' 18' ' ' LEU . 2.0 mptp? -74.15 -45.39 49.05 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.501 1.126 . . . . 75.44 109.308 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 37' ' ' ILE . . . . . 0.79 HD13 HD11 ' A' ' 45' ' ' ILE . 0.3 OUTLIER -82.06 -3.46 7.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.469 1.106 . . . . 74.42 109.308 179.967 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 41.7 t . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.506 1.129 . . . . 72.04 110.009 -179.975 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo . . . . . 0 N--CA 1.453 -0.892 0 N-CA-C 111.03 -0.412 . . . . 74.14 111.03 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 45' ' ' ILE . . . . . 1.014 HG21 HD11 ' A' ' 85' ' ' LEU . 1.5 pp -130.83 98.43 3.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.488 1.118 . . . . 71.05 109.27 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 46' ' ' THR . . . . . 0.44 ' O ' HD12 ' A' ' 30' ' ' ILE . 16.3 p -73.47 -4.98 37.11 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.492 1.12 . . . . 74.21 110.379 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 7.9 mmmm -121.4 129.82 53.24 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.461 1.1 . . . . 74.11 109.344 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.724 ' O ' HD12 ' A' ' 48' ' ' ILE . 1.9 pp -128.48 139.01 53.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.534 1.146 . . . . 63.41 109.297 -179.953 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 17.9 ttmt -93.22 112.59 24.57 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.522 1.139 . . . . 65.43 109.31 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 50' ' ' TYR . . . . . 0.758 ' HA ' HD13 ' A' ' 83' ' ' ILE . 8.0 p90 -103.08 147.23 27.24 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.536 1.148 . . . . 74.22 111.016 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 51.5 tt0 -76.67 145.83 38.51 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.513 1.133 . . . . 73.11 110.327 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 14.2 t0 -113.53 -171.57 1.91 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.49 1.119 . . . . 74.22 109.304 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 53' ' ' GLU . . . . . 0.451 ' HB3' ' CG ' ' A' ' 72' ' ' MET . 2.4 pp20? -74.02 -18.32 60.86 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.509 1.131 . . . . 64.32 110.264 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -84.34 6.54 22.66 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.466 1.104 . . . . 64.54 109.302 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 63.04 12.04 41.45 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.492 1.12 . . . . 53.44 110.977 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -100.4 153.71 19.11 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.557 0.798 . . . . 71.34 109.273 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 39.5 m-85 -90.45 120.9 31.95 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 64.34 111.001 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.688 HG23 ' CE1' ' A' ' 50' ' ' TYR . 0.3 OUTLIER -122.06 148.67 25.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.548 1.155 . . . . 64.44 109.284 -179.999 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 13.1 p -72.95 149.07 8.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.464 1.103 . . . . 53.14 109.279 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.921 HD12 ' N ' ' A' ' 61' ' ' GLY . 0.3 OUTLIER -133.39 120.29 20.76 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.479 1.112 . . . . 64.33 109.326 179.997 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 61' ' ' GLY . . . . . 0.921 ' N ' HD12 ' A' ' 60' ' ' LEU . . . -163.31 27.75 0.23 Allowed Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.541 1.151 . . . . 31.23 110.964 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 72.1 m -150.67 167.75 26.41 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.522 0.778 . . . . 62.44 110.001 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 63' ' ' ASP . . . . . 0.444 ' O ' ' N ' ' A' ' 67' ' ' ASN . 1.2 p-10 -73.38 -29.83 62.87 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.478 1.111 . . . . 71.2 109.267 -179.937 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 64' ' ' GLU . . . . . 0.629 ' O ' HG23 ' A' ' 68' ' ' VAL . 2.6 tt0 -67.31 -38.09 84.41 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.506 1.129 . . . . 64.3 110.324 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 10.2 m-20 -85.7 -11.89 52.56 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.506 1.129 . . . . 75.12 109.344 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 66' ' ' TRP . . . . . 0.592 ' CZ3' ' OD1' ' A' ' 67' ' ' ASN . 5.8 t90 -97.62 -22.62 16.38 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.523 1.139 . . . . 75.13 108.02 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 67' ' ' ASN . . . . . 0.592 ' OD1' ' CZ3' ' A' ' 66' ' ' TRP . 42.1 m-20 -94.87 -46.87 6.68 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.525 1.14 . . . . 71.54 109.33 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 68' ' ' VAL . . . . . 0.629 HG23 ' O ' ' A' ' 64' ' ' GLU . 86.1 t -62.96 -36.06 74.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.545 1.153 . . . . 71.05 109.271 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 69' ' ' ALA . . . . . 0.473 ' HB2' ' CE2' ' A' ' 50' ' ' TYR . . . -70.1 -49.96 45.61 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.556 1.16 . . . . 55.44 109.284 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 70' ' ' LYS . . . . . 0.438 ' HB3' ' HZ2' ' A' ' 70' ' ' LYS . 14.0 mtpp -56.33 -44.17 79.73 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.451 1.094 . . . . 74.33 109.308 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 16.7 mt-10 -66.67 -24.26 66.25 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.527 1.142 . . . . 65.01 110.334 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 72' ' ' MET . . . . . 0.451 ' CG ' ' HB3' ' A' ' 53' ' ' GLU . 4.1 tpt -75.11 -16.12 60.56 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.556 1.16 . . . . 55.14 111.001 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.549 HD21 HD23 ' A' ' 81' ' ' LEU . 3.2 mt -65.5 -52.41 52.97 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.458 1.098 . . . . 74.23 109.286 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -57.62 -20.81 35.51 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.5 1.125 . . . . 61.01 109.27 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 13.0 mm-40 -96.28 -26.23 15.48 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.449 1.093 . . . . 74.35 110.328 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 76' ' ' ASN . . . . . 0.433 ' N ' ' O ' ' A' ' 72' ' ' MET . 93.6 m-20 -82.12 -11.53 58.7 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.444 1.09 . . . . 74.12 109.263 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 14.7 m-80 60.39 35.53 20.52 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.473 1.108 . . . . 51.51 109.274 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 78' ' ' GLU . . . . . 0.436 ' OE1' HD22 ' A' ' 73' ' ' LEU . 9.7 pt-20 -118.08 161.2 20.22 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.491 1.119 . . . . 61.53 110.282 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -119.98 19.0 12.42 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.568 1.167 . . . . 75.23 109.298 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 7.7 p90 -154.49 165.99 34.7 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.477 1.111 . . . . 73.45 110.985 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.858 HD13 ' N ' ' A' ' 82' ' ' ASN . 1.8 tm? -118.47 160.91 20.88 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.504 1.127 . . . . 75.54 109.284 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 82' ' ' ASN . . . . . 0.858 ' N ' HD13 ' A' ' 81' ' ' LEU . 8.1 t-20 -129.25 136.06 49.61 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.484 1.115 . . . . 64.04 109.351 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 83' ' ' ILE . . . . . 0.758 HD13 ' HA ' ' A' ' 50' ' ' TYR . 46.2 mm -126.88 157.97 37.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.503 1.127 . . . . 71.24 109.265 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 13.1 ttm180 -138.71 128.99 25.72 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.498 1.124 . . . . 75.13 110.313 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 1.014 HD11 HG21 ' A' ' 45' ' ' ILE . 0.1 OUTLIER -113.94 139.99 48.76 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.48 1.112 . . . . 63.15 109.343 179.967 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 86' ' ' TYR . . . . . 0.594 ' H ' HD13 ' A' ' 85' ' ' LEU . 9.1 p90 . . . . . 0 C--N 1.324 -0.5 0 O-C-N 124.5 1.125 . . . . 74.51 111.033 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 4' ' ' SER . . . . . 0.531 ' HB2' HD11 ' A' ' 19' ' ' LEU . 0.4 OUTLIER . . . . . 0 N--CA 1.453 -0.293 0 N-CA-C 110.029 -0.36 . . . . 61.4 110.029 . . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 5' ' ' ILE . . . . . 0.526 ' CG2' ' CE1' ' A' ' 7' ' ' PHE . 45.5 mt -132.69 152.9 37.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.435 1.084 . . . . 44.12 109.282 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.986 HD13 ' N ' ' A' ' 7' ' ' PHE . 2.6 tm? -122.87 148.75 45.06 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.484 1.115 . . . . 71.42 109.269 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 7' ' ' PHE . . . . . 1.077 ' CE2' HG11 ' A' ' 20' ' ' VAL . 22.8 m-85 -131.72 131.18 42.83 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.514 1.134 . . . . 73.04 110.998 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 8' ' ' ARG . . . . . 0.44 ' HB3' HG23 ' A' ' 15' ' ' ILE . 54.9 mtp180 -95.04 71.89 3.37 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.502 1.126 . . . . 70.42 110.273 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.658 ' H ' HD12 ' A' ' 9' ' ' ILE . 5.1 mp -60.02 124.04 13.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.485 1.116 . . . . 74.51 109.295 179.938 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 10' ' ' SER . . . . . 0.506 ' O ' ' CB ' ' A' ' 85' ' ' LEU . 1.4 p . . . . . 0 C--N 1.324 -0.504 0 O-C-N 124.479 1.112 . . . . 74.13 110.003 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.731 ' N ' HD12 ' A' ' 15' ' ' ILE . 3.0 mp . . . . . 0 N--CA 1.453 -0.277 0 N-CA-C 109.293 -0.632 . . . . 71.53 109.293 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 3.0 m-85 -117.24 122.68 44.66 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.455 1.097 . . . . 74.41 111.002 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.631 ' HB ' HD21 ' A' ' 6' ' ' LEU . 2.2 p -81.03 129.23 34.44 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.531 1.144 . . . . 72.55 110.375 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.605 HD23 ' CD ' ' A' ' 36' ' ' LYS . 1.5 tm? -124.82 101.79 7.25 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.483 1.114 . . . . 74.14 109.262 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.531 HD11 ' HB2' ' A' ' 4' ' ' SER . 0.3 OUTLIER -71.54 105.8 3.76 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.513 1.133 . . . . 62.52 109.286 -179.999 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 1.077 HG11 ' CE2' ' A' ' 7' ' ' PHE . 7.2 p -106.43 147.64 11.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.485 1.116 . . . . 61.33 109.308 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 21' ' ' GLU . . . . . 0.565 ' HB2' ' CD1' ' A' ' 24' ' ' TRP . 2.2 mm-40 -86.98 164.42 16.52 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.502 1.126 . . . . 74.55 110.33 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 3.3 mtpt -90.99 18.3 6.86 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.522 1.139 . . . . 75.53 109.312 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.543 HG22 ' O ' ' A' ' 23' ' ' VAL . 0.7 OUTLIER -126.07 3.36 4.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.458 1.099 . . . . 74.4 109.291 -179.97 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 24' ' ' TRP . . . . . 0.565 ' CD1' ' HB2' ' A' ' 21' ' ' GLU . 31.7 m0 -90.06 131.69 35.79 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.496 1.122 . . . . 74.32 108.025 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 20.3 p-10 -81.35 -175.47 5.49 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.517 1.136 . . . . 54.04 109.27 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 26' ' ' PHE . . . . . 0.5 ' CG ' ' N ' ' A' ' 27' ' ' ASP . 8.6 p90 -61.79 -39.82 93.07 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.506 1.129 . . . . 74.2 110.988 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 27' ' ' ASP . . . . . 0.5 ' N ' ' CG ' ' A' ' 26' ' ' PHE . 4.7 t70 -62.35 -46.01 90.63 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 72.34 109.253 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 16.4 m-20 -66.66 -35.96 81.42 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.525 1.141 . . . . 64.35 109.323 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.658 HD21 HD21 ' A' ' 60' ' ' LEU . 10.6 tp -59.05 -56.51 21.35 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.567 1.167 . . . . 75.43 109.287 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 30' ' ' ILE . . . . . 0.467 HD13 ' HA ' ' A' ' 30' ' ' ILE . 25.9 mm -56.06 -49.23 76.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.539 1.149 . . . . 71.4 109.311 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 8.2 mmt -60.73 -24.74 65.93 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.473 1.108 . . . . 65.04 110.991 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 32' ' ' ALA . . . . . 0.602 ' HB1' HD11 ' A' ' 18' ' ' LEU . . . -66.97 -49.24 66.04 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.526 1.141 . . . . 51.21 109.268 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.639 ' O ' HG23 ' A' ' 37' ' ' ILE . 2.9 mp -69.78 -40.6 79.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.485 1.116 . . . . 75.41 109.312 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 1.3 m-80 -62.78 -15.91 55.74 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.131 . . . . 74.13 109.319 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 1.6 t -86.4 -41.8 14.17 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.517 1.136 . . . . 74.53 110.023 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 36' ' ' LYS . . . . . 0.605 ' CD ' HD23 ' A' ' 18' ' ' LEU . 3.1 mptt -69.36 -38.36 78.04 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.504 1.127 . . . . 53.01 109.321 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 37' ' ' ILE . . . . . 0.639 HG23 ' O ' ' A' ' 33' ' ' ILE . 0.8 OUTLIER -88.99 -5.49 10.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.493 1.12 . . . . 64.4 109.294 179.994 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 41.5 t . . . . . 0 C--N 1.324 -0.507 0 O-C-N 124.53 1.144 . . . . 72.34 110.011 -179.991 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 N--CA 1.453 -0.865 0 N-CA-C 110.977 -0.432 . . . . 75.24 110.977 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 45' ' ' ILE . . . . . 0.689 HD12 ' O ' ' A' ' 45' ' ' ILE . 1.4 pp -135.11 125.5 44.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.501 1.126 . . . . 74.25 109.301 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 37.3 p -104.73 41.94 1.27 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.531 1.144 . . . . 54.05 110.417 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 9.1 ptmm? -174.52 110.16 0.14 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.493 1.12 . . . . 71.24 109.319 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.506 HD12 HD12 ' A' ' 83' ' ' ILE . 5.9 pt -106.95 130.74 58.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.518 1.136 . . . . 63.21 109.336 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 31.6 mttt -85.04 113.16 21.25 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.492 1.12 . . . . 73.42 109.315 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 50' ' ' TYR . . . . . 0.671 ' CE1' HG23 ' A' ' 58' ' ' VAL . 8.7 p90 -107.29 147.22 30.53 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.539 1.149 . . . . 74.13 110.981 -179.949 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 38.1 tt0 -72.01 152.24 42.59 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.534 1.146 . . . . 63.52 110.322 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 14.6 t0 -107.27 177.32 4.88 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.485 1.116 . . . . 60.43 109.292 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 1.2 pm0 -69.3 -20.01 63.89 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.521 1.138 . . . . 71.14 110.299 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -88.4 11.75 16.05 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.501 1.126 . . . . 73.03 109.315 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 68.25 10.91 60.64 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.461 1.1 . . . . 63.01 110.99 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 14.0 m-20 -88.99 176.88 6.82 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.491 0.76 . . . . 74.13 109.295 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 57' ' ' PHE . . . . . 0.476 ' CD1' ' N ' ' A' ' 57' ' ' PHE . 1.6 p90 -116.17 124.17 49.63 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.121 . . . . 74.13 111.039 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.671 HG23 ' CE1' ' A' ' 50' ' ' TYR . 0.1 OUTLIER -126.45 158.6 36.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.533 1.145 . . . . 71.01 109.261 179.984 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 14.5 p -84.46 145.37 8.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.47 1.106 . . . . 51.0 109.253 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.688 HD12 ' N ' ' A' ' 61' ' ' GLY . 0.7 OUTLIER -135.62 119.02 16.79 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.467 1.104 . . . . 43.43 109.301 179.994 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 61' ' ' GLY . . . . . 0.688 ' N ' HD12 ' A' ' 60' ' ' LEU . . . -158.4 25.02 0.38 Allowed Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.469 1.106 . . . . 73.22 110.994 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 1.8 m -153.81 170.05 21.9 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.494 0.761 . . . . 51.35 110.008 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -69.44 -31.28 69.5 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.502 1.126 . . . . 70.15 109.303 -179.95 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 10.5 tt0 -72.92 -13.24 61.22 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.511 1.132 . . . . 73.21 110.34 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 65' ' ' ASP . . . . . 0.489 ' C ' HD13 ' A' ' 60' ' ' LEU . 1.1 m-20 -110.32 -8.19 14.74 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 71.52 109.326 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 66' ' ' TRP . . . . . 0.567 ' CH2' ' HD3' ' A' ' 70' ' ' LYS . 7.8 t-105 -102.91 -15.27 16.22 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.496 1.122 . . . . 64.15 107.997 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 67' ' ' ASN . . . . . 0.581 ' OD1' HG23 ' A' ' 68' ' ' VAL . 0.5 OUTLIER -101.51 -37.41 8.42 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.456 1.098 . . . . 73.52 109.323 -179.996 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 68' ' ' VAL . . . . . 0.581 HG23 ' OD1' ' A' ' 67' ' ' ASN . 20.9 t -78.55 -7.85 10.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.458 1.099 . . . . 42.51 109.31 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 69' ' ' ALA . . . . . 0.543 ' CB ' ' CE2' ' A' ' 50' ' ' TYR . . . -100.1 -30.93 11.68 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.469 1.105 . . . . 52.13 109.299 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 70' ' ' LYS . . . . . 0.567 ' HD3' ' CH2' ' A' ' 66' ' ' TRP . 17.5 mtmm -66.18 -41.72 89.87 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.486 1.116 . . . . 62.34 109.264 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 57.9 mt-10 -49.76 -35.83 23.8 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.511 1.132 . . . . 54.21 110.272 -180.0 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 2.1 ttt -61.69 -48.01 82.72 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.482 1.113 . . . . 72.34 111.037 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.454 HD21 HD12 ' A' ' 81' ' ' LEU . 52.8 mt -54.59 -44.56 73.15 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.508 1.13 . . . . 75.22 109.33 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -61.45 -34.89 76.19 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.469 1.106 . . . . 74.41 109.272 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 60.9 mt-10 -78.45 -25.57 45.94 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.496 1.123 . . . . 75.23 110.29 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 3.0 m120 -89.94 -15.17 32.58 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.436 1.085 . . . . 71.34 109.277 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 77' ' ' ASN . . . . . 0.414 ' N ' ' O ' ' A' ' 73' ' ' LEU . 37.5 m-80 57.13 40.13 28.5 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.511 1.132 . . . . 75.4 109.324 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 78' ' ' GLU . . . . . 0.442 ' HB2' ' CD1' ' A' ' 80' ' ' PHE . 18.5 pt-20 -118.72 161.08 20.71 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.449 1.093 . . . . 63.43 110.365 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 2.2 ttpm? -111.85 16.51 20.38 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.517 1.135 . . . . 73.42 109.288 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 80' ' ' PHE . . . . . 0.442 ' CD1' ' HB2' ' A' ' 78' ' ' GLU . 12.6 p90 -142.21 150.67 41.3 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.508 1.13 . . . . 75.34 110.985 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.74 HD23 ' N ' ' A' ' 82' ' ' ASN . 7.4 tt -130.62 159.85 35.97 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.518 1.136 . . . . 61.14 109.301 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 82' ' ' ASN . . . . . 0.74 ' N ' HD23 ' A' ' 81' ' ' LEU . 1.4 t30 -99.49 116.68 32.19 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.486 1.117 . . . . 71.35 109.29 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 83' ' ' ILE . . . . . 0.673 HD11 HD22 ' A' ' 81' ' ' LEU . 46.9 mm -117.18 138.36 48.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.499 1.125 . . . . 75.05 109.298 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 84' ' ' ARG . . . . . 0.421 ' CG ' ' N ' ' A' ' 85' ' ' LEU . 56.9 ttt-85 -111.63 154.96 24.12 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.481 1.113 . . . . 73.43 110.298 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.612 HD21 HG12 ' A' ' 45' ' ' ILE . 5.3 tp -153.74 115.74 4.29 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.478 1.111 . . . . 71.14 109.289 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 86' ' ' TYR . . . . . 0.493 ' CG ' ' O ' ' A' ' 86' ' ' TYR . 10.9 p90 . . . . . 0 C--N 1.325 -0.5 0 O-C-N 124.525 1.141 . . . . 74.25 111.022 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 1.3 p . . . . . 0 N--CA 1.453 -0.323 0 N-CA-C 110.012 -0.366 . . . . 43.53 110.012 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 5' ' ' ILE . . . . . 0.721 ' O ' HD22 ' A' ' 19' ' ' LEU . 28.2 mt -143.05 164.06 16.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.458 1.099 . . . . 74.21 109.307 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.842 HD13 ' N ' ' A' ' 7' ' ' PHE . 3.3 tm? -124.84 147.92 48.5 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.482 1.114 . . . . 74.55 109.328 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 7' ' ' PHE . . . . . 0.842 ' N ' HD13 ' A' ' 6' ' ' LEU . 11.3 m-85 -147.06 116.5 7.03 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.468 1.105 . . . . 75.22 111.002 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 8' ' ' ARG . . . . . 0.594 ' HG2' HG22 ' A' ' 17' ' ' THR . 44.8 mtt180 -89.35 99.75 12.68 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.5 1.125 . . . . 70.41 110.271 -179.952 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.974 HG23 HD23 ' A' ' 85' ' ' LEU . 4.6 mp -81.65 112.14 19.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.479 1.112 . . . . 52.44 109.315 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 10' ' ' SER . . . . . 0.778 ' HB3' HG23 ' A' ' 15' ' ' ILE . 11.7 p . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.503 1.127 . . . . 64.11 110.015 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.842 ' N ' HD12 ' A' ' 15' ' ' ILE . 1.4 mp . . . . . 0 N--CA 1.453 -0.307 0 N-CA-C 109.277 -0.638 . . . . 64.25 109.277 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 16' ' ' PHE . . . . . 0.412 ' O ' ' HA ' ' A' ' 8' ' ' ARG . 29.2 m-85 -121.12 178.77 4.62 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.507 1.129 . . . . 75.1 111.005 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.594 HG22 ' HG2' ' A' ' 8' ' ' ARG . 4.7 p -129.88 135.02 47.88 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.472 1.107 . . . . 55.12 110.396 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.607 HD22 ' N ' ' A' ' 19' ' ' LEU . 1.5 tm? -131.82 122.26 25.46 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.472 1.108 . . . . 64.4 109.329 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.721 HD22 ' O ' ' A' ' 5' ' ' ILE . 0.8 OUTLIER -93.69 113.6 25.72 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.473 1.108 . . . . 75.23 109.272 -179.961 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.617 HG23 ' CE3' ' A' ' 24' ' ' TRP . 8.8 p -109.67 148.17 13.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.498 1.124 . . . . 72.34 109.267 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 21' ' ' GLU . . . . . 0.571 ' HB2' ' CD1' ' A' ' 24' ' ' TRP . 3.7 mm-40 -79.59 171.58 14.95 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.507 1.13 . . . . 63.15 110.32 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 85.6 mttt -91.83 16.46 10.83 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.575 1.172 . . . . 75.14 109.3 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.499 ' O ' ' CG2' ' A' ' 23' ' ' VAL . 0.2 OUTLIER -123.29 0.64 6.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.477 1.111 . . . . 74.42 109.316 -179.982 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 24' ' ' TRP . . . . . 0.617 ' CE3' HG23 ' A' ' 20' ' ' VAL . 18.4 m0 -93.07 92.73 7.94 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.504 1.127 . . . . 74.14 107.977 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 25' ' ' ASN . . . . . 0.413 ' OD1' ' N ' ' A' ' 25' ' ' ASN . 7.3 p-10 -52.61 177.3 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.503 1.127 . . . . 74.43 109.278 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 13.2 p90 -52.98 -32.32 45.59 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.525 1.141 . . . . 63.21 110.985 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 4.8 t0 -65.19 -66.58 0.53 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.5 1.125 . . . . 75.34 109.269 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 28' ' ' ASP . . . . . 0.558 ' O ' ' HB2' ' A' ' 32' ' ' ALA . 17.3 t0 -55.19 -27.05 43.07 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.438 1.086 . . . . 75.22 109.274 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.583 ' O ' HD12 ' A' ' 33' ' ' ILE . 0.9 OUTLIER -63.02 -46.01 89.63 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.507 1.129 . . . . 63.43 109.305 179.974 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 30' ' ' ILE . . . . . 0.436 HD13 ' HA ' ' A' ' 30' ' ' ILE . 14.2 mm -69.44 -50.98 46.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.479 1.112 . . . . 70.51 109.29 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 39.2 mmm -63.17 -16.32 59.71 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.43 1.081 . . . . 61.21 111.003 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 32' ' ' ALA . . . . . 0.558 ' HB2' ' O ' ' A' ' 28' ' ' ASP . . . -76.04 -50.62 14.27 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.518 1.136 . . . . 60.33 109.234 -179.938 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.729 ' CG2' HD11 ' A' ' 45' ' ' ILE . 3.5 mp -70.38 -39.97 77.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.545 1.153 . . . . 72.43 109.268 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -50.24 -24.05 2.63 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.554 1.158 . . . . 73.32 109.301 -179.953 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 35' ' ' SER . . . . . 0.424 ' O ' ' CB ' ' A' ' 38' ' ' SER . 4.4 m -83.5 -43.61 15.59 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.121 . . . . 74.4 109.991 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 36' ' ' LYS . . . . . 0.577 ' HE2' HD23 ' A' ' 18' ' ' LEU . 3.6 mptt -61.46 -35.56 77.96 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.555 1.159 . . . . 74.13 109.315 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 37' ' ' ILE . . . . . 0.425 ' CD1' HG12 ' A' ' 45' ' ' ILE . 2.6 pt -82.04 -13.11 12.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.556 1.16 . . . . 60.15 109.349 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 38' ' ' SER . . . . . 0.424 ' CB ' ' O ' ' A' ' 35' ' ' SER . 6.4 t . . . . . 0 C--N 1.326 -0.452 0 O-C-N 124.482 1.114 . . . . 73.32 109.972 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 N--CA 1.453 -0.868 0 N-CA-C 110.987 -0.428 . . . . 73.2 110.987 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 45' ' ' ILE . . . . . 0.953 HG21 ' HG ' ' A' ' 85' ' ' LEU . 11.5 pt -116.83 151.47 18.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.534 1.146 . . . . 64.31 109.303 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 42.9 p -119.15 5.61 11.27 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.46 1.1 . . . . 74.25 110.366 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 47' ' ' LYS . . . . . 0.641 ' HB2' HG23 ' A' ' 59' ' ' VAL . 10.3 ptmt -174.46 132.76 0.37 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.447 1.092 . . . . 71.35 109.287 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 1.017 HG22 HD21 ' A' ' 85' ' ' LEU . 2.4 pt -115.36 123.99 71.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.472 1.107 . . . . 73.41 109.344 179.938 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 49' ' ' LYS . . . . . 0.421 ' HD3' ' N ' ' A' ' 59' ' ' VAL . 0.0 OUTLIER -87.13 117.11 25.65 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.526 1.141 . . . . 70.54 109.273 -179.959 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 50' ' ' TYR . . . . . 0.854 ' HB2' HD11 ' A' ' 81' ' ' LEU . 3.6 p90 -109.17 139.27 44.3 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.42 1.075 . . . . 74.31 111.029 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 51' ' ' GLN . . . . . 0.55 ' O ' HD21 ' A' ' 81' ' ' LEU . 49.6 tt0 -72.78 141.45 48.08 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.522 1.139 . . . . 72.32 110.288 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -113.64 -170.97 1.8 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.537 1.148 . . . . 55.44 109.241 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 2.5 pp20? -65.63 -32.34 73.85 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.497 1.123 . . . . 72.13 110.283 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 3.8 t70 -63.62 -14.29 50.28 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.476 1.11 . . . . 74.01 109.311 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 78.58 37.3 27.38 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.473 1.108 . . . . 73.31 110.995 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 5.4 t70 -136.7 149.0 47.65 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.472 0.748 . . . . 75.35 109.316 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 3.5 m-85 -85.23 113.92 21.95 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.548 1.155 . . . . 73.21 111.023 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.638 HG23 ' CE1' ' A' ' 50' ' ' TYR . 0.0 OUTLIER -109.6 129.87 63.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.454 1.096 . . . . 70.15 109.313 -179.978 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 59' ' ' VAL . . . . . 0.641 HG23 ' HB2' ' A' ' 47' ' ' LYS . 1.4 p -55.7 132.99 19.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.51 1.131 . . . . 73.2 109.265 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.921 HD12 ' N ' ' A' ' 61' ' ' GLY . 0.4 OUTLIER -120.51 124.7 46.03 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.484 1.115 . . . . 64.15 109.298 -179.994 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 61' ' ' GLY . . . . . 0.921 ' N ' HD12 ' A' ' 60' ' ' LEU . . . -166.91 29.67 0.18 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.57 1.168 . . . . 70.1 111.031 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 1.6 p -146.44 161.84 39.55 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.495 0.761 . . . . 40.55 109.987 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 50.4 t0 -65.31 -20.11 66.26 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.484 1.115 . . . . 53.2 109.308 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 64' ' ' GLU . . . . . 0.666 ' O ' HG23 ' A' ' 68' ' ' VAL . 11.1 pt-20 -85.5 -40.91 15.83 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.489 1.118 . . . . 73.55 110.306 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 65' ' ' ASP . . . . . 0.607 ' C ' HD13 ' A' ' 60' ' ' LEU . 66.0 m-20 -79.87 1.73 26.0 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.503 1.127 . . . . 74.4 109.313 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 66' ' ' TRP . . . . . 0.561 ' CZ2' ' HE2' ' A' ' 70' ' ' LYS . 1.3 t90 -102.68 -40.9 6.41 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 108.005 -1.109 . . . . 75.2 108.005 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 67' ' ' ASN . . . . . 0.496 ' OD1' ' C ' ' A' ' 67' ' ' ASN . 0.7 OUTLIER -82.16 -40.81 21.26 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.486 1.116 . . . . 70.51 109.277 -179.945 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 68' ' ' VAL . . . . . 0.666 HG23 ' O ' ' A' ' 64' ' ' GLU . 89.5 t -66.13 -14.53 17.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.515 1.134 . . . . 74.41 109.294 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -89.82 -26.8 20.35 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.491 1.12 . . . . 73.12 109.327 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 70' ' ' LYS . . . . . 0.597 ' CD ' ' CD1' ' A' ' 5' ' ' ILE . 9.2 mtmp? -83.53 -55.5 4.26 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.547 1.155 . . . . 72.54 109.272 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 88.1 mt-10 -48.1 -31.99 6.28 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.53 1.144 . . . . 74.3 110.315 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 16.1 tpp -63.86 -48.26 77.44 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.47 1.106 . . . . 73.31 110.964 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.727 HD21 HD23 ' A' ' 81' ' ' LEU . 8.3 mt -44.9 -50.33 10.5 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.501 1.126 . . . . 63.35 109.326 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -55.2 -40.41 70.73 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.466 1.104 . . . . 64.3 109.301 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 19.9 mm-40 -73.15 -22.96 60.41 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.53 1.144 . . . . 75.14 110.253 -179.947 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 87.1 m-20 -92.0 -10.51 39.0 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.445 1.091 . . . . 71.13 109.271 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 7.9 m120 61.17 32.45 19.53 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.517 1.136 . . . . 54.11 109.3 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 9.4 pt-20 -117.63 146.43 43.67 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.531 1.145 . . . . 65.24 110.311 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 9.8 mmmm -105.51 29.1 6.8 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.522 1.139 . . . . 65.44 109.312 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 13.3 p90 -152.18 173.63 14.74 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.492 1.12 . . . . 73.4 111.028 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.854 HD11 ' HB2' ' A' ' 50' ' ' TYR . 3.0 tm? -152.73 140.57 20.07 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.541 1.151 . . . . 74.25 109.283 -179.952 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 82' ' ' ASN . . . . . 0.488 ' O ' HD13 ' A' ' 81' ' ' LEU . 6.9 t-20 -99.34 141.6 31.91 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.501 1.126 . . . . 70.42 109.313 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 83' ' ' ILE . . . . . 0.552 HD13 ' HA ' ' A' ' 50' ' ' TYR . 38.1 mm -128.25 160.28 38.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.487 1.117 . . . . 55.5 109.321 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 84' ' ' ARG . . . . . 0.603 ' O ' HD22 ' A' ' 85' ' ' LEU . 40.1 ttt-85 -146.4 153.13 40.13 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.463 1.102 . . . . 72.03 110.302 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 1.017 HD21 HG22 ' A' ' 48' ' ' ILE . 2.0 mm? -137.05 139.88 41.65 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.474 1.109 . . . . 71.15 109.315 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 86' ' ' TYR . . . . . 0.408 ' C ' ' O ' ' A' ' 85' ' ' LEU . 3.2 t80 . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.497 1.123 . . . . 74.11 110.96 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 4' ' ' SER . . . . . 0.551 ' HB2' HD11 ' A' ' 19' ' ' LEU . 0.7 OUTLIER . . . . . 0 N--CA 1.453 -0.305 0 N-CA-C 110.008 -0.367 . . . . 73.43 110.008 . . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 53.5 mt -132.9 147.22 31.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.475 1.11 . . . . 64.25 109.297 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.878 HD13 ' N ' ' A' ' 7' ' ' PHE . 3.2 tm? -95.69 148.77 22.21 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.521 1.138 . . . . 72.32 109.319 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 7' ' ' PHE . . . . . 0.878 ' N ' HD13 ' A' ' 6' ' ' LEU . 1.2 m-85 -122.29 118.23 28.02 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.503 1.127 . . . . 71.14 111.007 179.95 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 8' ' ' ARG . . . . . 0.576 HH21 HD12 ' A' ' 15' ' ' ILE . 6.0 mtp180 -87.91 84.49 6.99 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.523 1.139 . . . . 73.41 110.313 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.531 ' CG2' HD12 ' A' ' 85' ' ' LEU . 2.0 mp -68.9 109.04 1.8 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.554 1.159 . . . . 75.04 109.278 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 10' ' ' SER . . . . . 0.453 ' O ' ' N ' ' A' ' 85' ' ' LEU . 41.1 m . . . . . 0 C--N 1.324 -0.501 0 O-C-N 124.514 1.134 . . . . 51.23 110.002 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.576 HD12 HH21 ' A' ' 8' ' ' ARG . 8.7 mm . . . . . 0 N--CA 1.454 -0.258 0 N-CA-C 109.301 -0.629 . . . . 73.24 109.301 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 16' ' ' PHE . . . . . 0.556 ' CE1' ' HB3' ' A' ' 36' ' ' LYS . 10.7 t80 -138.27 154.45 49.05 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.517 1.135 . . . . 60.3 110.978 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.421 ' O ' ' CD1' ' A' ' 16' ' ' PHE . 2.4 p -115.91 150.95 36.27 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.506 1.129 . . . . 70.2 110.396 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.639 HD12 ' HB2' ' A' ' 36' ' ' LYS . 8.2 tt -157.29 133.84 9.89 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.516 1.135 . . . . 52.41 109.291 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.557 ' O ' ' CH2' ' A' ' 24' ' ' TRP . 0.2 OUTLIER -87.21 117.61 26.07 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.457 1.098 . . . . 74.01 109.326 179.969 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.551 ' HA ' ' CZ3' ' A' ' 24' ' ' TRP . 38.5 t -114.51 115.23 48.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.466 1.104 . . . . 72.41 109.315 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 21' ' ' GLU . . . . . 0.567 ' HB2' ' CD1' ' A' ' 24' ' ' TRP . 21.5 mt-10 -67.81 166.35 15.62 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.45 1.094 . . . . 54.42 110.291 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 5.3 mtpt -89.84 15.59 9.57 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.453 1.096 . . . . 62.33 109.298 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.437 HG12 ' HB3' ' A' ' 21' ' ' GLU . 0.2 OUTLIER -116.36 -38.58 2.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.524 1.14 . . . . 70.32 109.336 179.964 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 24' ' ' TRP . . . . . 0.567 ' CD1' ' HB2' ' A' ' 21' ' ' GLU . 32.8 m0 -45.23 154.72 0.15 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.535 1.147 . . . . 75.5 107.96 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 16.6 p-10 -113.02 -174.2 2.41 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.465 1.103 . . . . 71.51 109.299 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 26' ' ' PHE . . . . . 0.451 ' CB ' ' C ' ' A' ' 62' ' ' SER . 7.6 p90 -60.42 -29.39 68.95 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.467 1.104 . . . . 71.41 111.016 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 20.9 t0 -72.71 -64.0 1.05 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.491 1.119 . . . . 75.23 109.295 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 81.1 m-20 -53.6 -33.44 54.94 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.463 1.102 . . . . 74.4 109.353 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 1.049 HD21 HD21 ' A' ' 60' ' ' LEU . 2.3 tp -60.04 -62.6 1.75 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.524 1.14 . . . . 53.22 109.315 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 30' ' ' ILE . . . . . 0.461 HD11 HG12 ' A' ' 48' ' ' ILE . 30.9 mm -53.17 -47.02 56.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.522 1.139 . . . . 62.32 109.317 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 37.5 mtp -61.07 -32.9 72.54 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.479 1.112 . . . . 61.12 110.957 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 32' ' ' ALA . . . . . 0.469 ' HB3' ' O ' ' A' ' 29' ' ' LEU . . . -60.7 -53.14 61.08 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.486 1.117 . . . . 73.22 109.272 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.617 ' O ' HG23 ' A' ' 37' ' ' ILE . 3.2 mp -65.08 -39.52 85.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 64.21 109.333 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 3.6 m-20 -68.1 -15.54 63.64 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.48 1.113 . . . . 74.25 109.258 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 2.6 t -91.47 -37.83 12.93 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.423 1.077 . . . . 65.43 110.028 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 36' ' ' LYS . . . . . 0.639 ' HB2' HD12 ' A' ' 18' ' ' LEU . 1.2 mptt -74.06 -35.13 64.25 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.488 1.118 . . . . 63.45 109.32 179.952 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 37' ' ' ILE . . . . . 0.621 HD13 HD11 ' A' ' 45' ' ' ILE . 2.5 pt -93.84 -3.14 10.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.487 1.117 . . . . 75.5 109.306 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.487 1.117 . . . . 72.25 109.977 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo . . . . . 0 N--CA 1.453 -0.869 0 N-CA-C 110.993 -0.426 . . . . 51.2 110.993 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 45' ' ' ILE . . . . . 0.917 HG12 HD22 ' A' ' 85' ' ' LEU . 1.4 pp -115.49 124.48 72.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.512 1.132 . . . . 72.22 109.346 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 13.9 p -94.57 2.97 55.66 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.456 1.098 . . . . 75.53 110.34 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -142.45 137.5 30.37 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.469 1.106 . . . . 64.22 109.343 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.895 HG22 HD21 ' A' ' 85' ' ' LEU . 44.5 pt -126.96 143.32 40.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.501 1.125 . . . . 74.55 109.318 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 16.8 ttmt -110.66 96.61 6.29 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.499 1.124 . . . . 73.32 109.323 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 50' ' ' TYR . . . . . 0.759 ' CE2' ' HB2' ' A' ' 69' ' ' ALA . 9.1 p90 -83.31 152.74 24.97 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.492 1.12 . . . . 74.31 110.939 -179.927 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 43.6 tt0 -80.41 152.15 28.98 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.491 1.12 . . . . 64.34 110.282 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 15.4 t0 -112.74 -176.78 2.98 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.494 1.121 . . . . 64.34 109.313 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 53' ' ' GLU . . . . . 0.493 ' CB ' ' OD1' ' A' ' 76' ' ' ASN . 14.4 pt-20 -74.68 -16.25 60.77 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.477 1.111 . . . . 64.43 110.299 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -91.42 16.84 9.41 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.477 1.111 . . . . 74.14 109.325 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 51.76 37.63 43.37 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.525 1.141 . . . . 44.25 111.013 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -128.95 129.12 45.02 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.539 0.788 . . . . 64.51 109.252 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 11.6 m-30 -64.26 139.74 58.8 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.498 1.124 . . . . 62.34 110.991 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.637 HG23 ' CE1' ' A' ' 50' ' ' TYR . 0.2 OUTLIER -139.31 139.39 39.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.545 1.153 . . . . 64.55 109.255 -179.976 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 57.2 t -62.67 152.72 7.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 O-C-N 124.456 1.097 . . . . 74.53 109.322 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 1.049 HD21 HD21 ' A' ' 29' ' ' LEU . 0.3 OUTLIER -140.44 118.57 11.96 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.514 1.133 . . . . 74.13 109.291 179.986 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 61' ' ' GLY . . . . . 0.81 ' N ' HD12 ' A' ' 60' ' ' LEU . . . -157.82 24.63 0.42 Allowed Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.505 1.128 . . . . 51.21 110.974 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 62' ' ' SER . . . . . 0.451 ' C ' ' CB ' ' A' ' 26' ' ' PHE . 75.0 m -155.3 176.93 11.93 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.535 0.785 . . . . 52.33 109.983 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 5.9 t0 -83.39 -20.89 33.36 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.49 1.119 . . . . 71.25 109.349 179.938 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 64' ' ' GLU . . . . . 0.444 ' O ' ' CG ' ' A' ' 64' ' ' GLU . 11.9 tt0 -80.18 -8.41 59.42 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.462 1.101 . . . . 75.33 110.305 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 26.2 m-20 -110.26 -21.01 12.45 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.513 1.133 . . . . 74.13 109.309 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 66' ' ' TRP . . . . . 0.582 ' O ' ' CE3' ' A' ' 66' ' ' TRP . 3.7 t-105 -93.59 -23.56 18.26 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 107.977 -1.12 . . . . 74.13 107.977 -179.943 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 5.6 t30 -88.76 -49.14 7.02 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.509 1.131 . . . . 65.14 109.285 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 68' ' ' VAL . . . . . 0.409 ' CG2' ' O ' ' A' ' 64' ' ' GLU . 43.8 t -57.11 -27.58 27.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.502 1.126 . . . . 71.53 109.318 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 69' ' ' ALA . . . . . 0.759 ' HB2' ' CE2' ' A' ' 50' ' ' TYR . . . -77.37 -34.18 55.1 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.513 1.133 . . . . 51.23 109.306 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 2.4 mtmp? -70.53 -55.39 9.01 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.5 1.125 . . . . 50.21 109.303 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 18.0 pt-20 -51.82 -21.11 2.6 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.479 1.112 . . . . 74.11 110.299 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 2.0 tpt -83.76 -31.45 25.96 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.563 1.164 . . . . 53.0 111.032 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.563 HD21 HD23 ' A' ' 81' ' ' LEU . 3.9 mt -57.63 -46.31 84.33 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.533 1.146 . . . . 72.1 109.312 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -60.52 -15.86 31.45 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.459 1.099 . . . . 73.42 109.298 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 20.8 mt-10 -97.23 -28.35 14.12 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.483 1.115 . . . . 70.41 110.323 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 76' ' ' ASN . . . . . 0.493 ' OD1' ' CB ' ' A' ' 53' ' ' GLU . 80.2 m-20 -89.26 13.95 12.19 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.492 1.12 . . . . 70.32 109.292 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 25.1 m-80 40.46 32.08 0.13 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.511 1.132 . . . . 65.11 109.34 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 78' ' ' GLU . . . . . 0.447 ' OE1' ' CB ' ' A' ' 76' ' ' ASN . 8.8 pt-20 -114.58 145.82 41.51 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.518 1.136 . . . . 50.51 110.281 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 23.1 mmtm -111.47 15.2 21.33 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.507 1.129 . . . . 75.34 109.314 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 80' ' ' PHE . . . . . 0.419 ' CE2' ' HB2' ' A' ' 78' ' ' GLU . 29.0 p90 -127.42 -174.78 3.26 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.503 1.127 . . . . 71.44 110.994 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.842 HD13 ' N ' ' A' ' 82' ' ' ASN . 1.5 tm? -150.12 163.54 37.94 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.553 1.158 . . . . 64.41 109.257 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 82' ' ' ASN . . . . . 0.842 ' N ' HD13 ' A' ' 81' ' ' LEU . 7.8 t-20 -131.99 121.08 23.35 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.474 1.109 . . . . 73.13 109.281 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 83' ' ' ILE . . . . . 0.433 HG22 ' N ' ' A' ' 84' ' ' ARG . 18.0 mm -113.34 162.07 11.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.445 1.09 . . . . 71.43 109.333 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 84' ' ' ARG . . . . . 0.477 ' O ' HD23 ' A' ' 85' ' ' LEU . 15.0 ttt180 -126.94 137.28 53.1 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.563 1.164 . . . . 72.54 110.272 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.917 HD22 HG12 ' A' ' 45' ' ' ILE . 35.8 mt -137.81 96.9 3.31 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.47 1.106 . . . . 63.34 109.256 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 4.7 t80 . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.126 . . . . 75.44 111.009 179.985 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 4' ' ' SER . . . . . 0.437 ' HB2' HD11 ' A' ' 19' ' ' LEU . 0.6 OUTLIER . . . . . 0 N--CA 1.453 -0.312 0 N-CA-C 110.014 -0.365 . . . . 71.14 110.014 . . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 17.7 mt -132.77 140.52 47.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.523 1.14 . . . . 72.24 109.284 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.852 HD13 ' N ' ' A' ' 7' ' ' PHE . 3.4 tm? -95.04 148.16 22.64 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.476 1.11 . . . . 73.3 109.341 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 7' ' ' PHE . . . . . 0.852 ' N ' HD13 ' A' ' 6' ' ' LEU . 4.3 m-85 -133.71 116.85 16.27 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.472 1.108 . . . . 73.54 111.004 -179.956 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 8' ' ' ARG . . . . . 0.601 ' CG ' ' CG2' ' A' ' 15' ' ' ILE . 2.2 tpp85 -86.14 119.32 26.3 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.513 1.133 . . . . 75.31 110.301 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.509 HG23 HD13 ' A' ' 85' ' ' LEU . 4.2 mp -107.38 118.66 55.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.497 1.123 . . . . 42.33 109.287 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 3.5 t . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.547 1.154 . . . . 73.42 109.989 -179.984 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.601 ' CG2' ' CG ' ' A' ' 8' ' ' ARG . 2.4 mm . . . . . 0 N--CA 1.453 -0.302 0 N-CA-C 109.286 -0.635 . . . . 62.34 109.286 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 2.3 t80 -118.76 178.91 4.3 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.504 1.127 . . . . 45.25 110.987 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 2.0 p -136.06 140.14 43.57 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.438 1.086 . . . . 63.51 110.411 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.727 HD23 ' CE ' ' A' ' 36' ' ' LYS . 1.5 tm? -148.65 108.24 3.99 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.48 1.112 . . . . 72.44 109.33 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.493 ' CD1' ' C ' ' A' ' 19' ' ' LEU . 0.2 OUTLIER -72.82 109.68 6.59 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.463 1.102 . . . . 74.13 109.287 -179.976 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.736 HG11 ' CD1' ' A' ' 7' ' ' PHE . 4.6 p -112.67 120.51 62.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.533 1.145 . . . . 73.32 109.285 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 21' ' ' GLU . . . . . 0.564 ' HB2' ' CD1' ' A' ' 24' ' ' TRP . 4.3 mm-40 -67.36 170.11 7.85 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.509 1.131 . . . . 75.31 110.275 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 4.7 mtpt -91.16 14.68 13.55 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.55 1.156 . . . . 75.43 109.318 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.471 ' O ' ' CG2' ' A' ' 23' ' ' VAL . 0.3 OUTLIER -121.49 -1.16 7.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.57 1.169 . . . . 73.51 109.265 -179.982 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 24' ' ' TRP . . . . . 0.564 ' CD1' ' HB2' ' A' ' 21' ' ' GLU . 27.7 m0 -81.98 118.26 22.84 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 107.976 -1.12 . . . . 65.15 107.976 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 25' ' ' ASN . . . . . 0.423 ' OD1' ' N ' ' A' ' 25' ' ' ASN . 10.0 p-10 -70.98 -176.06 1.28 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.52 1.137 . . . . 72.43 109.304 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 26' ' ' PHE . . . . . 0.513 ' CG ' ' N ' ' A' ' 27' ' ' ASP . 7.5 p90 -64.75 -40.1 94.73 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.555 1.159 . . . . 73.54 111.016 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 27' ' ' ASP . . . . . 0.513 ' N ' ' CG ' ' A' ' 26' ' ' PHE . 21.5 t0 -60.56 -42.3 96.35 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.505 1.128 . . . . 64.42 109.264 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 28' ' ' ASP . . . . . 0.557 ' O ' ' HB2' ' A' ' 32' ' ' ALA . 70.6 m-20 -73.12 -31.32 64.23 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.503 1.127 . . . . 70.14 109.326 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.968 ' CD2' HD21 ' A' ' 60' ' ' LEU . 10.9 tp -64.24 -49.17 72.96 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.126 . . . . 71.44 109.327 179.945 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 30' ' ' ILE . . . . . 0.552 HD13 HG12 ' A' ' 48' ' ' ILE . 13.6 mm -64.46 -45.02 96.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.465 1.103 . . . . 62.12 109.318 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 31.1 mmt -71.14 -21.46 62.19 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.514 1.134 . . . . 74.24 110.955 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 32' ' ' ALA . . . . . 0.557 ' HB2' ' O ' ' A' ' 28' ' ' ASP . . . -68.31 -45.02 74.14 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.522 1.139 . . . . 54.23 109.309 -179.949 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.465 HD12 ' O ' ' A' ' 29' ' ' LEU . 3.9 mp -79.71 -46.72 22.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.513 1.133 . . . . 54.44 109.301 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 2.1 m120 -54.52 -22.49 13.14 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.473 1.108 . . . . 65.44 109.288 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 1.5 t -80.25 -42.52 23.04 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.443 1.09 . . . . 53.13 109.976 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 36' ' ' LYS . . . . . 0.727 ' CE ' HD23 ' A' ' 18' ' ' LEU . 1.0 OUTLIER -65.75 -41.97 91.48 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.482 1.114 . . . . 70.33 109.285 -179.999 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 37' ' ' ILE . . . . . 0.465 HG23 ' O ' ' A' ' 33' ' ' ILE . 1.9 pt -76.51 -16.12 14.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.469 1.106 . . . . 75.41 109.316 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 3.2 t . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.473 1.108 . . . . 75.21 109.985 -179.989 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 N--CA 1.454 -0.84 0 N-CA-C 110.984 -0.429 . . . . 73.13 110.984 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 45' ' ' ILE . . . . . 0.486 HD13 HG23 ' A' ' 48' ' ' ILE . 1.3 pp -115.47 157.95 16.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.473 1.108 . . . . 75.13 109.27 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 4.1 p -114.86 -7.65 12.6 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.461 1.101 . . . . 72.3 110.413 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 7.2 ptmm? -139.66 109.44 6.32 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.505 1.128 . . . . 64.1 109.312 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.552 HG12 HD13 ' A' ' 30' ' ' ILE . 5.0 pt -99.15 141.39 16.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.524 1.14 . . . . 75.15 109.331 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 49' ' ' LYS . . . . . 0.681 ' HD3' HG22 ' A' ' 59' ' ' VAL . 1.3 tppp? -103.04 120.93 41.56 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.471 1.107 . . . . 75.25 109.313 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 50' ' ' TYR . . . . . 0.588 ' HB2' HD21 ' A' ' 81' ' ' LEU . 7.9 p90 -112.13 146.72 37.54 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.556 1.16 . . . . 75.11 111.037 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 51' ' ' GLN . . . . . 0.406 ' NE2' ' HA2' ' A' ' 55' ' ' GLY . 51.0 tt0 -73.4 156.1 38.66 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.454 1.096 . . . . 63.14 110.274 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 12.4 t0 -113.11 -173.21 2.21 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.522 1.139 . . . . 54.02 109.282 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 53' ' ' GLU . . . . . 0.415 ' HG2' ' CG ' ' A' ' 72' ' ' MET . 2.7 pp20? -77.71 -5.94 52.27 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.544 1.153 . . . . 53.03 110.277 -179.945 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 24.5 t70 -96.61 -1.11 47.52 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.506 1.129 . . . . 73.51 109.258 -179.95 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 55' ' ' GLY . . . . . 0.406 ' HA2' ' NE2' ' A' ' 51' ' ' GLN . . . 78.27 0.52 77.96 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.493 1.121 . . . . 35.2 111.015 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 6.8 t0 -84.65 -175.41 5.77 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.472 0.748 . . . . 70.35 109.317 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 3.1 p90 -115.05 130.5 56.95 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.496 1.123 . . . . 75.32 111.004 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.462 ' O ' ' CD1' ' A' ' 50' ' ' TYR . 0.0 OUTLIER -132.79 131.32 59.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.49 1.119 . . . . 73.22 109.325 -179.981 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 59' ' ' VAL . . . . . 0.681 HG22 ' HD3' ' A' ' 49' ' ' LYS . 76.4 t -59.2 165.03 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.476 1.11 . . . . 74.52 109.309 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.968 HD21 ' CD2' ' A' ' 29' ' ' LEU . 3.2 tp -152.91 120.67 6.06 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.545 1.153 . . . . 74.34 109.287 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 61' ' ' GLY . . . . . 0.556 ' N ' HD12 ' A' ' 60' ' ' LEU . . . -161.84 26.99 0.26 Allowed Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.509 1.131 . . . . 53.22 111.002 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 9.3 m -160.63 162.71 32.82 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.495 0.762 . . . . 75.33 109.991 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -71.09 -29.6 65.5 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.504 1.128 . . . . 71.53 109.262 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 64' ' ' GLU . . . . . 0.492 ' O ' ' CG2' ' A' ' 68' ' ' VAL . 3.2 tt0 -71.07 -8.13 51.29 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.493 1.121 . . . . 75.34 110.245 -179.918 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 65' ' ' ASP . . . . . 0.4 ' HB3' HD13 ' A' ' 60' ' ' LEU . 10.8 t0 -110.27 -23.76 11.05 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.508 1.13 . . . . 71.21 109.301 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 66' ' ' TRP . . . . . 0.599 ' O ' ' CE3' ' A' ' 66' ' ' TRP . 3.6 t-105 -91.09 -21.29 21.29 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.544 1.152 . . . . 72.12 108.029 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 81.2 m-20 -95.36 -25.59 16.23 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.552 1.157 . . . . 71.45 109.288 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 68' ' ' VAL . . . . . 0.492 ' CG2' ' O ' ' A' ' 64' ' ' GLU . 3.6 t -79.73 -14.91 13.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.487 1.117 . . . . 74.22 109.27 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 69' ' ' ALA . . . . . 0.462 ' HB2' ' CE2' ' A' ' 50' ' ' TYR . . . -93.09 -45.05 8.08 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.482 1.114 . . . . 60.24 109.337 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 70' ' ' LYS . . . . . 0.569 ' HD3' ' CH2' ' A' ' 66' ' ' TRP . 3.1 mtmp? -52.44 -54.87 26.58 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.495 1.122 . . . . 72.13 109.317 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 33.0 mt-10 -45.73 -32.74 2.63 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.541 1.151 . . . . 55.34 110.293 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 72' ' ' MET . . . . . 0.415 ' CG ' ' HG2' ' A' ' 53' ' ' GLU . 20.3 tpp -72.18 -41.27 67.18 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.514 1.134 . . . . 63.43 110.973 -179.947 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.486 HD11 HD12 ' A' ' 81' ' ' LEU . 4.8 mt -52.73 -44.08 66.16 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.518 1.136 . . . . 73.4 109.303 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -57.58 -33.46 68.19 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.573 1.17 . . . . 44.52 109.337 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 76.3 mt-10 -82.16 -24.06 35.23 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.479 1.112 . . . . 73.22 110.323 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 76' ' ' ASN . . . . . 0.646 HD22 ' N ' ' A' ' 76' ' ' ASN . 1.0 OUTLIER -89.31 -16.04 32.04 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.547 1.155 . . . . 75.15 109.322 179.948 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 77' ' ' ASN . . . . . 0.446 ' N ' ' O ' ' A' ' 73' ' ' LEU . 9.7 m120 60.69 46.12 9.49 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.473 1.108 . . . . 61.24 109.287 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 78' ' ' GLU . . . . . 0.41 ' CD ' HD22 ' A' ' 73' ' ' LEU . 10.7 pt-20 -125.05 154.77 40.82 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.517 1.136 . . . . 61.44 110.301 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 59.4 mmtt -119.97 29.92 7.29 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.517 1.136 . . . . 74.33 109.326 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 7.7 p90 -144.95 170.66 15.72 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.459 1.099 . . . . 71.03 110.977 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.709 HD13 ' CZ ' ' A' ' 7' ' ' PHE . 2.0 tt -150.06 158.73 44.46 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.484 1.115 . . . . 64.12 109.315 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 82' ' ' ASN . . . . . 0.603 ' O ' HD23 ' A' ' 81' ' ' LEU . 8.3 t-20 -115.03 148.87 38.3 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.547 1.154 . . . . 72.11 109.275 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 83' ' ' ILE . . . . . 0.52 HG22 ' N ' ' A' ' 84' ' ' ARG . 15.5 mm -137.44 167.31 23.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.494 1.121 . . . . 53.32 109.279 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 84' ' ' ARG . . . . . 0.755 ' O ' HD12 ' A' ' 85' ' ' LEU . 15.8 ttt180 -145.04 126.58 15.06 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.518 1.136 . . . . 72.51 110.285 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.755 HD12 ' O ' ' A' ' 84' ' ' ARG . 10.8 mp -133.31 139.68 47.01 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.511 1.132 . . . . 72.53 109.336 179.934 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 17.5 t80 . . . . . 0 C--N 1.326 -0.45 0 O-C-N 124.478 1.112 . . . . 61.11 111.028 179.998 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 4' ' ' SER . . . . . 0.648 ' HB2' HD11 ' A' ' 19' ' ' LEU . 26.1 m . . . . . 0 N--CA 1.453 -0.311 0 N-CA-C 109.977 -0.379 . . . . 52.54 109.977 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 5' ' ' ILE . . . . . 0.525 HD13 HD12 ' A' ' 73' ' ' LEU . 29.4 mt -126.19 144.75 35.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.532 1.145 . . . . 73.13 109.246 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -88.73 142.25 27.83 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.469 1.106 . . . . 74.45 109.279 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 7' ' ' PHE . . . . . 0.892 ' CE1' HD23 ' A' ' 81' ' ' LEU . 1.0 OUTLIER -122.61 108.51 13.19 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.473 1.108 . . . . 73.24 111.023 179.995 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 8' ' ' ARG . . . . . 0.6 ' CZ ' ' CE1' ' A' ' 80' ' ' PHE . 91.9 mtt180 -86.11 112.94 21.76 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.442 1.089 . . . . 72.21 110.303 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.808 ' CG2' HD22 ' A' ' 85' ' ' LEU . 3.9 mp -98.67 101.66 12.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.49 1.119 . . . . 74.35 109.332 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 10' ' ' SER . . . . . 0.568 ' CB ' HD13 ' A' ' 15' ' ' ILE . 1.4 p . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.513 1.133 . . . . 62.43 110.053 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.568 HD13 ' CB ' ' A' ' 10' ' ' SER . 3.2 mm . . . . . 0 N--CA 1.454 -0.265 0 N-CA-C 109.303 -0.628 . . . . 73.45 109.303 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 4.4 m-85 -102.46 174.69 5.79 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.509 1.13 . . . . 74.14 111.021 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 2.0 p -132.53 125.57 30.89 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.54 1.15 . . . . 74.02 110.381 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.866 HD23 ' HD2' ' A' ' 36' ' ' LYS . 0.8 OUTLIER -134.94 110.24 8.99 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.503 1.127 . . . . 72.44 109.289 -179.98 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.648 HD11 ' HB2' ' A' ' 4' ' ' SER . 0.1 OUTLIER -67.3 102.22 1.05 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.461 1.1 . . . . 72.33 109.322 179.984 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.756 HG23 ' HE3' ' A' ' 24' ' ' TRP . 6.3 p -106.22 112.24 38.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.445 1.09 . . . . 54.21 109.296 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 21' ' ' GLU . . . . . 0.568 ' HB2' ' CD1' ' A' ' 24' ' ' TRP . 5.2 mm-40 -52.94 169.8 0.09 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.525 1.141 . . . . 70.52 110.266 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 22' ' ' LYS . . . . . 0.513 ' HZ2' ' C ' ' A' ' 4' ' ' SER . 0.7 OUTLIER -89.22 15.42 8.95 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.471 1.107 . . . . 52.51 109.294 -179.994 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.538 HG22 ' O ' ' A' ' 23' ' ' VAL . 0.8 OUTLIER -125.5 2.97 4.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.518 1.137 . . . . 73.41 109.259 -179.951 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 24' ' ' TRP . . . . . 0.756 ' HE3' HG23 ' A' ' 20' ' ' VAL . 33.0 m0 -86.33 87.55 7.45 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.529 1.143 . . . . 75.35 108.005 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 25' ' ' ASN . . . . . 0.432 ' HA ' ' CE2' ' A' ' 66' ' ' TRP . 15.2 p-10 -55.53 -178.92 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.505 1.128 . . . . 71.34 109.279 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 19.3 p90 -53.73 -31.23 47.5 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.467 1.104 . . . . 73.54 111.017 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 15.7 t0 -67.05 -64.51 0.84 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.536 1.147 . . . . 72.51 109.282 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 28' ' ' ASP . . . . . 0.778 ' O ' ' HB2' ' A' ' 32' ' ' ALA . 0.9 OUTLIER -58.14 -17.84 21.26 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.127 . . . . 73.43 109.321 179.992 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.774 HD12 ' C ' ' A' ' 29' ' ' LEU . 0.1 OUTLIER -75.94 -58.38 3.32 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.541 1.151 . . . . 73.14 109.296 179.943 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 30' ' ' ILE . . . . . 0.445 HD13 ' HA ' ' A' ' 30' ' ' ILE . 25.2 mm -58.21 -40.07 76.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.482 1.114 . . . . 75.11 109.304 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 25.5 mmm -75.64 -19.3 59.28 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.504 1.128 . . . . 52.05 111.014 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 32' ' ' ALA . . . . . 0.778 ' HB2' ' O ' ' A' ' 28' ' ' ASP . . . -73.93 -67.01 0.64 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.548 1.155 . . . . 61.43 109.265 -179.957 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.822 HD11 ' HD2' ' A' ' 7' ' ' PHE . 3.8 mp -58.36 -32.54 45.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.514 1.134 . . . . 72.32 109.3 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 34' ' ' ASN . . . . . 0.444 ' ND2' ' O ' ' A' ' 30' ' ' ILE . 0.7 OUTLIER -55.43 -20.36 12.09 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.501 1.126 . . . . 71.31 109.266 -179.965 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 8.6 t -92.7 -21.99 19.66 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.484 1.115 . . . . 34.04 110.024 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 36' ' ' LYS . . . . . 0.866 ' HD2' HD23 ' A' ' 18' ' ' LEU . 0.0 OUTLIER -77.19 -42.35 37.91 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.487 1.117 . . . . 75.45 109.288 -179.99 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 37' ' ' ILE . . . . . 0.47 HD11 ' CB ' ' A' ' 44' ' ' PRO . 13.4 pt -80.24 -16.0 12.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.52 1.138 . . . . 62.02 109.246 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 11.0 t . . . . . 0 C--N 1.324 -0.514 0 O-C-N 124.529 1.143 . . . . 71.34 109.985 -179.959 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 44' ' ' PRO . . . . . 0.47 ' CB ' HD11 ' A' ' 37' ' ' ILE . 18.2 Cg_endo . . . . . 0 N--CA 1.453 -0.9 0 N-CA-C 111.011 -0.419 . . . . 75.54 111.011 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 1.3 pp -132.95 168.1 25.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.483 1.115 . . . . 51.02 109.33 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 3.2 p -129.17 4.65 5.26 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.501 1.126 . . . . 74.35 110.393 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 47' ' ' LYS . . . . . 0.424 ' O ' HG23 ' A' ' 48' ' ' ILE . 0.0 OUTLIER -142.68 163.68 32.15 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.524 1.14 . . . . 74.24 109.287 -179.984 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.66 HD12 HD12 ' A' ' 83' ' ' ILE . 4.6 pt -150.9 163.15 3.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.515 1.134 . . . . 73.2 109.28 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 49' ' ' LYS . . . . . 0.428 ' HE3' HG23 ' A' ' 59' ' ' VAL . 23.8 tttt -122.81 91.88 3.59 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.502 1.126 . . . . 73.23 109.316 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 50' ' ' TYR . . . . . 0.598 ' CE2' ' HB1' ' A' ' 69' ' ' ALA . 6.5 p90 -81.59 151.24 27.77 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.451 1.094 . . . . 74.41 111.014 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 51' ' ' GLN . . . . . 0.404 ' O ' ' CD2' ' A' ' 50' ' ' TYR . 36.4 tt0 -75.97 153.7 36.39 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.524 1.14 . . . . 75.12 110.315 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 52' ' ' ASP . . . . . 0.452 ' OD1' ' N ' ' A' ' 54' ' ' ASP . 18.1 p30 -120.69 -173.13 2.52 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.516 1.135 . . . . 65.54 109.287 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 5.2 pt-20 -72.04 -23.87 61.45 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.544 1.152 . . . . 74.22 110.264 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 54' ' ' ASP . . . . . 0.452 ' N ' ' OD1' ' A' ' 52' ' ' ASP . 0.2 OUTLIER -80.09 1.45 27.87 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.518 1.136 . . . . 73.31 109.254 -179.969 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 64.13 20.49 64.99 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.505 1.128 . . . . 54.2 111.005 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 19.5 m-20 -115.31 124.64 51.82 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.56 0.8 . . . . 52.12 109.273 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 5.7 p90 -54.13 139.71 34.44 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.483 1.115 . . . . 72.21 110.964 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.566 HG23 ' CE1' ' A' ' 50' ' ' TYR . 0.1 OUTLIER -139.11 135.95 42.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.443 1.089 . . . . 72.43 109.307 179.982 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 59' ' ' VAL . . . . . 0.428 HG23 ' HE3' ' A' ' 49' ' ' LYS . 68.2 t -58.12 159.95 1.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.469 1.106 . . . . 73.44 109.273 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.777 HD12 ' N ' ' A' ' 61' ' ' GLY . 0.3 OUTLIER -157.83 116.35 3.14 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.549 1.156 . . . . 71.11 109.315 179.99 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 61' ' ' GLY . . . . . 0.777 ' N ' HD12 ' A' ' 60' ' ' LEU . . . -155.22 25.84 0.61 Allowed Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.525 1.14 . . . . 50.42 111.019 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 3.5 p -149.69 167.62 25.91 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.462 0.742 . . . . 65.31 110.006 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 1.1 p-10 -74.86 -29.74 61.12 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.444 1.09 . . . . 74.12 109.282 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 64' ' ' GLU . . . . . 0.492 ' O ' ' CG2' ' A' ' 68' ' ' VAL . 8.7 tt0 -69.81 -17.79 63.42 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.518 1.136 . . . . 73.33 110.256 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 65' ' ' ASP . . . . . 0.41 ' HB3' HD13 ' A' ' 60' ' ' LEU . 16.0 t0 -109.36 -15.49 14.24 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.513 1.133 . . . . 73.35 109.319 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 66' ' ' TRP . . . . . 0.51 ' CZ2' ' HE2' ' A' ' 70' ' ' LYS . 0.0 OUTLIER -93.17 -22.01 19.31 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.568 1.168 . . . . 73.25 108.024 179.951 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 7.6 t30 -96.53 -36.27 10.82 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.519 1.137 . . . . 64.45 109.312 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 68' ' ' VAL . . . . . 0.492 ' CG2' ' O ' ' A' ' 64' ' ' GLU . 73.8 t -75.78 -16.79 15.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.593 1.183 . . . . 73.44 109.262 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 69' ' ' ALA . . . . . 0.598 ' HB1' ' CE2' ' A' ' 50' ' ' TYR . . . -89.16 -38.82 14.01 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.538 1.149 . . . . 71.51 109.339 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 70' ' ' LYS . . . . . 0.51 ' HE2' ' CZ2' ' A' ' 66' ' ' TRP . 4.9 mtmp? -70.37 -48.55 55.74 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.529 1.143 . . . . 72.51 109.357 179.932 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 9.6 pt-20 -55.82 -18.9 9.72 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.551 1.157 . . . . 64.35 110.289 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 14.9 ttm -81.63 -29.65 33.14 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.533 1.146 . . . . 74.43 110.964 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.525 HD12 HD13 ' A' ' 5' ' ' ILE . 12.2 mt -52.77 -52.38 56.84 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.121 . . . . 70.45 109.284 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -55.73 -19.43 10.99 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.457 1.098 . . . . 74.33 109.253 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -90.41 -29.29 18.1 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.52 1.137 . . . . 74.24 110.326 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 76' ' ' ASN . . . . . 0.425 ' CB ' ' OE1' ' A' ' 78' ' ' GLU . 4.0 m-20 -84.95 -1.84 57.19 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.532 1.145 . . . . 73.11 109.272 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 3.9 m120 60.66 20.73 10.68 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.481 1.113 . . . . 71.1 109.273 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 78' ' ' GLU . . . . . 0.425 ' OE1' ' CB ' ' A' ' 76' ' ' ASN . 11.1 pt-20 -105.89 148.37 27.68 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.512 1.133 . . . . 74.11 110.298 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 16.1 mtmt -110.67 19.31 18.78 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.514 1.134 . . . . 60.34 109.281 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 80' ' ' PHE . . . . . 0.6 ' CE1' ' CZ ' ' A' ' 8' ' ' ARG . 5.4 p90 -142.57 170.13 16.28 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.499 1.124 . . . . 72.01 110.999 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.94 HD12 ' N ' ' A' ' 82' ' ' ASN . 3.5 tp -136.88 140.91 42.68 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.511 1.132 . . . . 72.32 109.265 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 82' ' ' ASN . . . . . 0.94 ' N ' HD12 ' A' ' 81' ' ' LEU . 1.0 OUTLIER -114.17 119.88 38.6 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.512 1.132 . . . . 64.43 109.298 179.97 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 83' ' ' ILE . . . . . 0.66 HD12 HD12 ' A' ' 48' ' ' ILE . 33.5 mm -101.14 162.66 3.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.491 1.119 . . . . 63.52 109.288 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 84' ' ' ARG . . . . . 0.449 ' N ' HG22 ' A' ' 83' ' ' ILE . 3.4 tpp180 -136.09 120.52 18.08 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.491 1.119 . . . . 74.24 110.293 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.808 HD22 ' CG2' ' A' ' 9' ' ' ILE . 8.8 mp -101.93 147.72 26.2 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.464 1.103 . . . . 70.24 109.322 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 86' ' ' TYR . . . . . 0.571 ' CD1' ' C ' ' A' ' 86' ' ' TYR . 1.5 p90 . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.509 1.13 . . . . 51.21 110.986 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 N--CA 1.452 -0.916 0 N-CA-C 111.024 -0.414 . . . . 73.31 111.024 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 4.1 pp -75.09 149.89 38.99 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.527 1.142 . . . . 73.33 109.308 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -166.65 -66.7 0.03 OUTLIER Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.537 1.148 . . . . 42.44 110.964 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -136.61 167.59 21.11 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.521 0.777 . . . . 62.0 109.985 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.585 HD13 ' CD1' ' A' ' 73' ' ' LEU . 44.8 mt -133.5 148.24 30.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.53 1.144 . . . . 61.5 109.296 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.845 HD22 ' H ' ' A' ' 7' ' ' PHE . 1.0 OUTLIER -109.49 146.97 33.7 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.447 1.092 . . . . 72.11 109.284 -179.997 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 7' ' ' PHE . . . . . 0.845 ' H ' HD22 ' A' ' 6' ' ' LEU . 1.8 m-30 -120.39 122.78 41.5 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.541 1.151 . . . . 75.41 110.997 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 8.3 ttp180 -99.24 84.88 3.09 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.508 1.13 . . . . 72.23 110.325 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 1.038 HG23 HD22 ' A' ' 85' ' ' LEU . 3.2 mp -58.53 110.77 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.479 1.112 . . . . 64.42 109.245 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 10' ' ' SER . . . . . 0.457 ' HA ' HD13 ' A' ' 15' ' ' ILE . 3.8 m -106.6 107.13 17.99 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.532 1.145 . . . . 64.21 110.003 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 11' ' ' TYR . . . . . 0.652 ' CE2' HD23 ' A' ' 85' ' ' LEU . 0.8 OUTLIER -96.19 -165.42 1.28 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.506 1.129 . . . . 74.02 110.998 179.984 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 58.2 t30 -59.3 -49.64 77.06 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.479 1.112 . . . . 72.14 109.324 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -144.68 18.59 1.66 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.54 1.15 . . . . 54.41 109.968 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 14' ' ' GLU . . . . . 0.575 ' O ' HD13 ' A' ' 15' ' ' ILE . 14.6 mm-40 -119.44 150.07 40.82 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.465 1.103 . . . . 72.31 110.274 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.575 HD13 ' O ' ' A' ' 14' ' ' GLU . 15.8 mm -140.97 132.01 28.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.459 1.099 . . . . 74.41 109.279 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 16' ' ' PHE . . . . . 0.702 ' HD2' HD13 ' A' ' 9' ' ' ILE . 57.9 t80 -147.38 154.69 41.19 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.477 1.111 . . . . 74.24 110.98 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.53 ' HB ' HD21 ' A' ' 6' ' ' LEU . 2.2 p -116.79 134.05 55.27 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.54 1.15 . . . . 53.42 110.336 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.717 ' C ' HD23 ' A' ' 18' ' ' LEU . 3.4 tt -134.42 127.84 32.36 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.482 1.114 . . . . 53.23 109.281 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.694 ' N ' HD23 ' A' ' 18' ' ' LEU . 0.8 OUTLIER -85.51 112.22 20.72 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.466 1.104 . . . . 65.44 109.321 179.974 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.525 ' N ' HD13 ' A' ' 19' ' ' LEU . 6.9 p -113.25 122.08 66.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.539 1.149 . . . . 62.35 109.275 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.567 ' HB2' ' CD1' ' A' ' 24' ' ' TRP . 18.9 mm-40 -63.78 167.46 5.96 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.503 1.127 . . . . 53.21 110.33 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 22' ' ' LYS . . . . . 0.424 ' HE2' HD11 ' A' ' 5' ' ' ILE . 1.3 mtpm? -93.09 18.55 9.12 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.471 1.107 . . . . 74.43 109.277 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.501 HG22 ' O ' ' A' ' 23' ' ' VAL . 0.4 OUTLIER -124.2 1.73 5.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 O-C-N 124.504 1.128 . . . . 73.14 109.297 -179.984 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 24' ' ' TRP . . . . . 0.567 ' CD1' ' HB2' ' A' ' 21' ' ' GLU . 21.1 m0 -93.63 94.81 8.81 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.575 1.172 . . . . 75.02 108.027 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 25' ' ' ASN . . . . . 0.401 ' O ' ' O ' ' A' ' 24' ' ' TRP . 0.5 OUTLIER -50.77 -178.89 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.51 1.131 . . . . 54.14 109.281 -179.995 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 21.5 p90 -57.48 -28.49 63.45 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.535 1.147 . . . . 74.42 110.989 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -66.03 -72.89 0.14 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.488 1.118 . . . . 74.45 109.285 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 28' ' ' ASP . . . . . 0.42 ' O ' ' N ' ' A' ' 32' ' ' ALA . 74.7 m-20 -51.41 -32.48 26.48 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.537 1.148 . . . . 74.32 109.316 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.615 HD12 ' CD1' ' A' ' 33' ' ' ILE . 1.2 tp -60.71 -61.74 2.37 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.492 1.12 . . . . 64.52 109.276 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 29.0 mm -54.71 -34.37 29.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.518 1.136 . . . . 70.41 109.293 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 2.9 mmt -76.02 -25.05 55.33 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.476 1.11 . . . . 52.23 111.0 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' ALA . . . . . 0.42 ' N ' ' O ' ' A' ' 28' ' ' ASP . . . -68.55 -48.27 64.71 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.513 1.133 . . . . 74.11 109.302 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.663 ' O ' HG23 ' A' ' 37' ' ' ILE . 4.0 mp -73.17 -38.6 55.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.47 1.106 . . . . 75.01 109.291 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 34' ' ' ASN . . . . . 0.474 HD21 HD12 ' A' ' 45' ' ' ILE . 1.4 m-80 -66.02 -15.75 63.31 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.462 1.101 . . . . 74.24 109.318 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 3.7 m -86.3 -47.55 9.29 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.541 1.151 . . . . 71.44 109.981 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 0.488 ' HB3' ' CE2' ' A' ' 16' ' ' PHE . 0.0 OUTLIER -65.52 -47.16 76.88 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.501 1.126 . . . . 73.33 109.287 -179.993 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.663 HG23 ' O ' ' A' ' 33' ' ' ILE . 1.4 pt -72.49 -9.88 13.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.463 1.102 . . . . 65.44 109.265 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 38' ' ' SER . . . . . 0.406 ' O ' ' N ' ' A' ' 41' ' ' HIS . 3.0 t -56.9 -17.6 10.12 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.509 1.13 . . . . 72.32 110.024 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 39' ' ' ASN . . . . . 0.404 ' C ' ' O ' ' A' ' 38' ' ' SER . 30.2 t30 -40.23 -48.57 2.61 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.507 1.13 . . . . 54.42 109.344 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 40' ' ' THR . . . . . 0.935 ' O ' HG23 ' A' ' 42' ' ' ILE . 6.0 t -69.93 -40.47 75.51 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.503 1.127 . . . . 63.32 110.354 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 41' ' ' HIS . . . . . 0.442 ' ND1' ' O ' ' A' ' 40' ' ' THR . 10.1 p80 46.84 38.85 6.5 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.493 1.12 . . . . 70.34 109.582 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.935 HG23 ' O ' ' A' ' 40' ' ' THR . 1.6 pp -119.35 -40.75 2.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.507 1.129 . . . . 60.23 109.308 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 43' ' ' SER . . . . . 0.621 ' HB3' HD12 ' A' ' 42' ' ' ILE . 4.9 p -170.17 97.4 0.46 Allowed Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.509 1.131 . . . . 75.1 109.977 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 -162.23 0.14 Allowed 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.507 1.793 . . . . 73.32 111.029 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' ILE . . . . . 0.515 HD12 ' O ' ' A' ' 45' ' ' ILE . 1.5 pp -126.46 151.47 33.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.481 1.113 . . . . 64.42 109.285 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 15.8 p -120.34 -1.42 10.22 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.513 1.133 . . . . 45.3 110.397 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 3.0 mtpm? -133.02 126.1 31.17 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.53 1.144 . . . . 75.41 109.32 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.453 ' HB ' ' CG2' ' A' ' 83' ' ' ILE . 36.1 pt -125.9 129.28 72.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.449 1.093 . . . . 51.11 109.34 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 49' ' ' LYS . . . . . 0.451 ' HZ3' ' N ' ' A' ' 59' ' ' VAL . 7.6 tttm -103.28 108.84 20.22 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.443 1.089 . . . . 53.11 109.345 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 50' ' ' TYR . . . . . 0.695 ' HB2' HD11 ' A' ' 81' ' ' LEU . 7.9 p90 -98.85 149.29 23.06 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.514 1.134 . . . . 62.14 110.989 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 51' ' ' GLN . . . . . 0.429 ' O ' ' CD2' ' A' ' 50' ' ' TYR . 44.8 tt0 -76.13 159.48 30.68 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.465 1.103 . . . . 72.14 110.314 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 52' ' ' ASP . . . . . 0.643 ' OD2' HG21 ' A' ' 58' ' ' VAL . 22.1 m-20 -121.89 173.12 7.7 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.499 1.124 . . . . 64.43 109.322 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 53' ' ' GLU . . . . . 0.492 ' CB ' ' OD1' ' A' ' 76' ' ' ASN . 2.2 pp20? -56.57 -49.44 74.85 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.566 1.166 . . . . 54.45 110.342 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 54' ' ' ASP . . . . . 0.439 ' N ' ' CD ' ' A' ' 53' ' ' GLU . 26.8 t70 -52.65 -21.67 4.24 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.486 1.116 . . . . 64.32 109.279 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 94.52 8.28 59.81 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.462 1.101 . . . . 64.34 111.027 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -100.75 134.99 42.91 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.53 0.782 . . . . 71.41 109.28 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' PHE . . . . . 0.403 ' CD1' ' O ' ' A' ' 57' ' ' PHE . 9.7 p90 -68.81 142.5 54.86 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.508 1.13 . . . . 74.1 110.976 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.643 HG21 ' OD2' ' A' ' 52' ' ' ASP . 0.0 OUTLIER -139.58 142.65 32.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.547 1.154 . . . . 74.14 109.302 -179.975 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.451 ' N ' ' HZ3' ' A' ' 49' ' ' LYS . 4.4 t -63.75 150.77 9.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.465 1.103 . . . . 72.25 109.315 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.435 HD11 ' HB2' ' A' ' 66' ' ' TRP . 1.3 tp -145.41 114.1 6.81 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.498 1.124 . . . . 71.21 109.331 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 61' ' ' GLY . . . . . 0.424 ' N ' HD12 ' A' ' 60' ' ' LEU . . . -151.76 20.73 0.9 Allowed Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.46 1.1 . . . . 73.2 111.042 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 87.6 p -151.06 173.39 14.4 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.532 0.784 . . . . 63.23 109.975 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 22.0 t0 -78.36 -30.61 48.1 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.527 1.142 . . . . 62.22 109.279 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 64' ' ' GLU . . . . . 0.491 ' O ' ' CG2' ' A' ' 68' ' ' VAL . 2.7 tt0 -69.4 -13.54 62.42 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.479 1.112 . . . . 75.0 110.309 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -111.7 -15.95 13.32 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.493 1.121 . . . . 62.31 109.305 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 66' ' ' TRP . . . . . 0.578 ' O ' ' CE3' ' A' ' 66' ' ' TRP . 3.8 t-105 -92.41 -24.04 18.99 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.532 1.145 . . . . 71.24 107.984 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 75.4 m-20 -94.47 -49.69 5.56 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.511 1.132 . . . . 61.33 109.301 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.491 ' CG2' ' O ' ' A' ' 64' ' ' GLU . 12.4 t -50.08 -24.01 1.79 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.501 1.126 . . . . 74.02 109.28 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 69' ' ' ALA . . . . . 0.592 ' HB2' ' CE2' ' A' ' 50' ' ' TYR . . . -87.57 -41.83 13.17 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.452 1.095 . . . . 53.44 109.32 -179.948 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 70' ' ' LYS . . . . . 0.823 ' HA ' HD12 ' A' ' 73' ' ' LEU . 4.7 mtmp? -54.53 -55.72 26.26 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.485 1.116 . . . . 64.55 109.288 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 18.5 mt-10 -52.29 -20.91 2.99 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.526 1.141 . . . . 74.42 110.306 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 72' ' ' MET . . . . . 0.418 ' O ' ' N ' ' A' ' 75' ' ' GLU . 17.8 ttm -81.52 -36.4 29.23 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.583 1.177 . . . . 75.42 111.01 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.823 HD12 ' HA ' ' A' ' 70' ' ' LYS . 17.4 mt -47.13 -46.09 22.87 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.546 1.154 . . . . 72.13 109.316 -179.947 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -59.59 -35.33 74.09 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.509 1.131 . . . . 64.22 109.276 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 75' ' ' GLU . . . . . 0.418 ' N ' ' O ' ' A' ' 72' ' ' MET . 10.2 mm-40 -78.98 -23.31 44.54 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.528 1.143 . . . . 74.13 110.283 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 76' ' ' ASN . . . . . 0.492 ' OD1' ' CB ' ' A' ' 53' ' ' GLU . 72.4 m-20 -91.9 -15.08 28.59 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.53 1.144 . . . . 51.45 109.28 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 77' ' ' ASN . . . . . 0.442 ' N ' ' O ' ' A' ' 73' ' ' LEU . 44.9 m-80 61.6 38.17 15.64 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.488 1.118 . . . . 75.44 109.292 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 78' ' ' GLU . . . . . 0.555 ' HB2' ' CZ ' ' A' ' 80' ' ' PHE . 4.7 pt-20 -126.27 121.42 32.6 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.472 1.107 . . . . 74.24 110.288 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -85.18 3.8 37.48 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.463 1.102 . . . . 74.33 109.286 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 80' ' ' PHE . . . . . 0.555 ' CZ ' ' HB2' ' A' ' 78' ' ' GLU . 5.1 p90 -115.46 -179.83 3.76 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.537 1.148 . . . . 64.01 111.013 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.905 HD13 ' N ' ' A' ' 82' ' ' ASN . 2.1 tm? -152.93 160.05 43.01 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.481 1.113 . . . . 64.31 109.275 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 82' ' ' ASN . . . . . 0.905 ' N ' HD13 ' A' ' 81' ' ' LEU . 8.0 t-20 -126.76 127.25 44.76 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.519 1.137 . . . . 71.11 109.32 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 83' ' ' ILE . . . . . 0.453 ' CG2' ' HB ' ' A' ' 48' ' ' ILE . 45.7 mm -120.02 148.1 23.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.457 1.098 . . . . 65.51 109.322 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 84' ' ' ARG . . . . . 0.735 ' O ' HD12 ' A' ' 85' ' ' LEU . 10.2 tpt180 -108.58 134.18 51.69 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.467 1.104 . . . . 63.13 110.288 -179.939 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 1.038 HD22 HG23 ' A' ' 9' ' ' ILE . 6.7 mp -127.1 107.61 10.19 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.51 1.131 . . . . 75.23 109.309 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 39.6 p90 . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.541 1.15 . . . . 74.23 110.994 -179.957 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 N--CA 1.453 -0.894 0 N-CA-C 111.018 -0.416 . . . . 64.21 111.018 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 10.6 mt -93.58 -74.73 0.52 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.472 1.107 . . . . 64.35 109.301 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 43.53 42.86 6.05 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.543 1.152 . . . . 72.33 110.989 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' SER . . . . . 0.732 ' CB ' HD11 ' A' ' 19' ' ' LEU . 0.7 OUTLIER -170.94 -173.53 1.34 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.524 0.779 . . . . 72.32 110.025 -179.999 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.51 HD13 HD22 ' A' ' 73' ' ' LEU . 56.7 mt -135.01 150.82 30.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.505 1.128 . . . . 72.45 109.3 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.981 HD13 ' N ' ' A' ' 7' ' ' PHE . 3.0 tm? -99.75 148.92 23.87 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.518 1.136 . . . . 72.34 109.294 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 7' ' ' PHE . . . . . 0.981 ' N ' HD13 ' A' ' 6' ' ' LEU . 1.9 m-85 -124.09 126.55 46.41 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.492 1.12 . . . . 74.31 110.993 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 1.2 mpt_? -95.59 85.12 4.09 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.47 1.107 . . . . 72.2 110.315 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.886 HG23 HD23 ' A' ' 85' ' ' LEU . 5.2 mp -77.18 115.67 19.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.506 1.129 . . . . 74.33 109.323 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 10' ' ' SER . . . . . 0.411 ' O ' ' N ' ' A' ' 85' ' ' LEU . 2.6 p -94.68 133.71 38.05 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.522 1.139 . . . . 71.23 109.997 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 2.0 t80 -160.82 129.97 4.79 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.472 1.107 . . . . 71.32 110.956 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' ASN . . . . . 0.564 ' O ' ' CB ' ' A' ' 13' ' ' SER . 27.0 t30 65.27 11.38 7.22 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.511 1.132 . . . . 74.3 109.285 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 13' ' ' SER . . . . . 0.564 ' CB ' ' O ' ' A' ' 12' ' ' ASN . 1.0 OUTLIER 89.9 14.99 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.505 1.128 . . . . 71.13 109.962 179.978 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 4.3 mt-10 -116.7 133.53 55.9 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.474 1.109 . . . . 74.23 110.31 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 3.4 mm -87.56 132.87 31.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.507 1.129 . . . . 62.42 109.274 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 90.7 m-85 -123.17 141.28 52.14 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.519 1.137 . . . . 74.1 110.986 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.521 HG22 HD11 ' A' ' 6' ' ' LEU . 2.4 p -98.16 142.21 30.13 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.484 1.115 . . . . 64.14 110.348 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.693 HD11 ' HB1' ' A' ' 32' ' ' ALA . 2.3 tm? -153.86 111.79 3.54 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.565 1.166 . . . . 72.1 109.267 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.732 HD11 ' CB ' ' A' ' 4' ' ' SER . 0.2 OUTLIER -61.66 118.14 6.7 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.529 1.143 . . . . 73.35 109.301 179.992 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.897 HG21 ' CG ' ' A' ' 7' ' ' PHE . 2.3 t -114.32 100.59 10.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.479 1.112 . . . . 73.41 109.305 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.555 ' HB2' ' CD1' ' A' ' 24' ' ' TRP . 63.1 mt-10 -54.75 163.04 1.03 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.469 1.106 . . . . 53.34 110.259 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 23.0 mttt -90.26 15.64 10.07 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.538 1.149 . . . . 61.22 109.29 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.457 HG12 ' HB3' ' A' ' 21' ' ' GLU . 0.2 OUTLIER -116.43 -38.63 2.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.126 . . . . 62.45 109.28 -179.987 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 24' ' ' TRP . . . . . 0.555 ' CZ3' ' O ' ' A' ' 19' ' ' LEU . 33.9 m0 -45.77 153.94 0.25 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.502 1.126 . . . . 74.14 108.011 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 20.7 p-10 -113.37 -174.95 2.56 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.548 1.155 . . . . 61.25 109.292 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 5.3 p90 -55.95 -29.06 59.59 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.522 1.139 . . . . 73.31 110.96 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 3.9 t70 -74.85 -73.87 0.22 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.495 1.122 . . . . 70.02 109.307 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' ASP . . . . . 0.44 ' O ' ' N ' ' A' ' 32' ' ' ALA . 49.7 m-20 -42.0 -37.24 1.31 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.525 1.14 . . . . 61.32 109.334 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.708 HD12 HD13 ' A' ' 33' ' ' ILE . 3.2 tp -54.67 -56.69 16.51 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.472 1.107 . . . . 62.4 109.269 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 32.1 mm -57.03 -49.51 79.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.469 1.106 . . . . 64.32 109.297 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 39.5 mtp -62.85 -22.6 66.8 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.476 1.11 . . . . 75.13 110.973 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' ALA . . . . . 0.693 ' HB1' HD11 ' A' ' 18' ' ' LEU . . . -73.4 -52.3 14.24 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.443 1.09 . . . . 54.35 109.316 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.708 HD13 HD12 ' A' ' 29' ' ' LEU . 2.2 mp -67.67 -33.34 61.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.536 1.147 . . . . 73.11 109.292 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 2.9 m-20 -59.69 -16.41 26.52 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.478 1.111 . . . . 75.03 109.293 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 8.2 t -83.68 -32.13 25.75 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.533 1.145 . . . . 70.21 109.978 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 0.623 ' CE ' HD23 ' A' ' 18' ' ' LEU . 0.6 OUTLIER -82.11 -38.1 25.31 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.501 1.125 . . . . 74.43 109.314 -179.957 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.714 HD13 HG23 ' A' ' 45' ' ' ILE . 3.6 pt -87.29 10.75 1.56 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.503 1.127 . . . . 73.13 109.318 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -78.52 52.89 1.22 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.498 1.124 . . . . 52.25 109.986 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 39' ' ' ASN . . . . . 0.515 ' ND2' HG23 ' A' ' 40' ' ' THR . 6.9 p30 -120.46 -42.41 2.55 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.45 1.094 . . . . 72.41 109.301 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 40' ' ' THR . . . . . 0.515 HG23 ' ND2' ' A' ' 39' ' ' ASN . 60.7 p -73.14 160.2 32.35 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.488 1.118 . . . . 72.4 110.414 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 5.3 m80 -128.38 35.24 4.43 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.495 1.122 . . . . 74.44 109.564 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.502 ' O ' ' CB ' ' A' ' 43' ' ' SER . 3.3 pt -113.1 -34.85 2.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.528 1.143 . . . . 73.04 109.326 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 43' ' ' SER . . . . . 0.502 ' CB ' ' O ' ' A' ' 42' ' ' ILE . 1.4 t 159.61 142.03 0.01 OUTLIER Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.478 1.111 . . . . 72.22 110.028 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 -161.96 0.14 Allowed 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.52 1.8 . . . . 74.11 111.004 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' ILE . . . . . 0.714 HG23 HD13 ' A' ' 37' ' ' ILE . 40.6 pt -102.19 123.53 55.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.558 1.161 . . . . 74.03 109.296 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -100.37 4.81 44.19 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.527 1.142 . . . . 75.13 110.418 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 10.4 ptmm? -163.97 133.82 4.09 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.533 1.145 . . . . 71.11 109.31 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.69 HG22 HD12 ' A' ' 45' ' ' ILE . 42.9 pt -121.87 133.8 67.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.461 1.101 . . . . 73.55 109.299 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 8.3 ttmm -103.24 103.49 13.53 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.487 1.117 . . . . 73.21 109.306 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 50' ' ' TYR . . . . . 0.644 ' HA ' HD13 ' A' ' 83' ' ' ILE . 6.5 p90 -95.48 145.85 24.87 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.476 1.11 . . . . 73.22 110.983 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 51' ' ' GLN . . . . . 0.453 ' O ' ' CD2' ' A' ' 50' ' ' TYR . 10.7 tt0 -72.98 163.51 28.06 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.547 1.154 . . . . 75.5 110.267 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 52' ' ' ASP . . . . . 0.426 ' N ' ' CG ' ' A' ' 51' ' ' GLN . 3.8 t70 -118.28 -174.95 2.77 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.501 1.125 . . . . 72.33 109.278 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 23.1 pt-20 -73.55 -37.28 65.61 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.545 1.153 . . . . 72.12 110.295 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 17.6 t70 -68.48 -15.56 63.59 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.516 1.135 . . . . 62.22 109.305 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 91.79 15.72 53.76 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.485 1.116 . . . . 63.41 110.981 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 24.0 m-20 -104.78 126.99 52.42 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.486 0.756 . . . . 75.03 109.27 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 12.6 p90 -62.49 140.18 58.6 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.552 1.158 . . . . 74.31 110.994 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.577 HG23 ' CE1' ' A' ' 50' ' ' TYR . 0.1 OUTLIER -140.53 138.73 35.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.536 1.147 . . . . 73.52 109.347 179.991 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 58.8 t -62.06 151.96 7.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.496 1.122 . . . . 75.41 109.264 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.64 HD21 HD21 ' A' ' 29' ' ' LEU . 1.5 tp -144.85 113.36 6.65 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.522 1.139 . . . . 63.24 109.328 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 61' ' ' GLY . . . . . 0.429 ' N ' HD12 ' A' ' 60' ' ' LEU . . . -152.0 22.46 0.89 Allowed Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.542 1.151 . . . . 73.2 111.032 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 7.9 m -150.39 171.1 17.56 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.468 0.746 . . . . 55.1 109.993 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -74.77 -30.02 61.32 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 62.31 109.255 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 64' ' ' GLU . . . . . 0.498 ' O ' ' CG2' ' A' ' 68' ' ' VAL . 19.3 tt0 -75.72 -9.77 58.87 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.501 1.125 . . . . 73.2 110.288 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -106.6 -18.4 13.97 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.48 1.112 . . . . 70.4 109.311 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 66' ' ' TRP . . . . . 0.592 ' O ' ' CE3' ' A' ' 66' ' ' TRP . 3.7 t-105 -100.35 -21.9 15.26 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 107.98 -1.119 . . . . 71.14 107.98 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 16.0 t-20 -90.67 -42.7 10.6 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.506 1.129 . . . . 65.2 109.347 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.498 ' CG2' ' O ' ' A' ' 64' ' ' GLU . 16.3 t -60.24 -27.52 39.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.446 1.091 . . . . 72.35 109.266 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 69' ' ' ALA . . . . . 0.636 ' HB2' ' CE2' ' A' ' 50' ' ' TYR . . . -79.68 -47.61 15.06 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.469 1.106 . . . . 41.11 109.322 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 70' ' ' LYS . . . . . 0.559 ' HD3' ' CZ2' ' A' ' 66' ' ' TRP . 2.2 mtmp? -51.81 -61.29 2.35 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.474 1.108 . . . . 71.22 109.296 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 15.1 mm-40 -45.25 -25.6 0.4 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.523 1.139 . . . . 72.14 110.312 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 72' ' ' MET . . . . . 0.409 ' N ' ' C ' ' A' ' 70' ' ' LYS . 3.8 ttp -79.44 -43.16 23.82 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.503 1.127 . . . . 64.02 110.988 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.51 HD22 HD13 ' A' ' 5' ' ' ILE . 6.3 mp -51.25 -49.34 61.34 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.538 1.149 . . . . 73.22 109.314 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -52.4 -27.16 14.64 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.492 1.12 . . . . 63.13 109.344 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 18.7 mm-40 -92.58 -26.4 17.9 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.481 1.113 . . . . 73.44 110.271 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 80.8 m-20 -82.26 -15.46 52.98 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.542 1.152 . . . . 74.24 109.291 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 5.3 m120 60.15 42.58 15.27 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.508 1.13 . . . . 71.42 109.355 -179.922 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 8.4 pt-20 -118.13 140.53 49.64 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.454 1.096 . . . . 75.01 110.278 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 35.7 mmtt -105.38 17.22 24.3 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.504 1.127 . . . . 73.41 109.296 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 9.7 p90 -139.86 177.45 7.95 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.501 1.125 . . . . 71.35 111.028 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.923 HD13 ' CZ ' ' A' ' 7' ' ' PHE . 3.1 tt -146.69 166.41 26.66 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.534 1.146 . . . . 72.24 109.268 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 82' ' ' ASN . . . . . 0.799 ' N ' HD23 ' A' ' 81' ' ' LEU . 8.0 t-20 -125.65 125.99 43.98 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.534 1.146 . . . . 75.32 109.283 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 83' ' ' ILE . . . . . 0.644 HD13 ' HA ' ' A' ' 50' ' ' TYR . 27.0 mm -129.89 145.45 35.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.445 1.09 . . . . 75.54 109.34 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 84' ' ' ARG . . . . . 0.785 ' C ' HD22 ' A' ' 85' ' ' LEU . 3.8 ttp-105 -123.88 140.31 53.11 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.551 1.157 . . . . 75.3 110.317 179.945 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.886 HD23 HG23 ' A' ' 9' ' ' ILE . 2.9 mm? -145.0 140.86 28.46 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.471 1.107 . . . . 64.3 109.325 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 86' ' ' TYR . . . . . 0.431 ' CD1' ' N ' ' A' ' 86' ' ' TYR . 10.9 p90 . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.508 1.13 . . . . 52.41 111.01 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 N--CA 1.453 -0.864 0 N-CA-C 111.005 -0.421 . . . . 75.4 111.005 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 41.7 mt -145.21 147.73 32.76 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.466 1.104 . . . . 74.01 109.306 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 118.5 39.78 0.71 Allowed Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.432 1.083 . . . . 64.12 111.035 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' SER . . . . . 0.561 ' CB ' HD11 ' A' ' 19' ' ' LEU . 0.9 OUTLIER -164.25 -175.12 3.81 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.513 0.773 . . . . 74.34 109.966 -179.992 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 13.1 mt -131.09 143.78 39.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.532 1.145 . . . . 62.31 109.309 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 3.8 tp -96.93 139.77 32.47 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 75.02 109.288 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' PHE . . . . . 0.615 ' CG ' HG11 ' A' ' 20' ' ' VAL . 2.7 m-30 -117.17 119.76 36.21 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.527 1.142 . . . . 74.44 111.014 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 8' ' ' ARG . . . . . 0.747 ' HG2' HG23 ' A' ' 15' ' ' ILE . 2.9 ttm180 -87.44 98.54 11.43 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.538 1.149 . . . . 72.44 110.269 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.48 HD12 ' O ' ' A' ' 7' ' ' PHE . 3.9 mp -89.68 117.56 33.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.469 1.105 . . . . 75.21 109.286 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 1.2 t -95.32 137.22 34.68 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.478 1.111 . . . . 71.01 109.977 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' TYR . . . . . 0.439 ' HD2' HD23 ' A' ' 85' ' ' LEU . 0.8 OUTLIER -157.96 133.39 8.9 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.482 1.114 . . . . 71.33 111.035 179.983 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 12' ' ' ASN . . . . . 0.562 ' O ' ' CB ' ' A' ' 13' ' ' SER . 6.1 m-20 63.97 12.71 7.08 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.544 1.153 . . . . 64.52 109.338 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 13' ' ' SER . . . . . 0.562 ' CB ' ' O ' ' A' ' 12' ' ' ASN . 0.7 OUTLIER 90.19 12.43 0.05 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.516 1.135 . . . . 65.02 109.989 179.968 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 14' ' ' GLU . . . . . 0.58 ' O ' HD13 ' A' ' 15' ' ' ILE . 17.5 mm-40 -101.27 -166.71 1.33 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.462 1.101 . . . . 75.31 110.265 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.747 HG23 ' HG2' ' A' ' 8' ' ' ARG . 14.0 mm -141.58 131.34 24.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.48 1.113 . . . . 74.55 109.345 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 2.7 t80 -125.31 158.68 33.58 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.541 1.151 . . . . 71.13 110.958 -179.934 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 2.2 p -116.52 145.34 43.4 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.454 1.096 . . . . 70.31 110.377 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.782 HD23 ' CE ' ' A' ' 36' ' ' LYS . 0.9 OUTLIER -152.61 106.45 3.09 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.552 1.157 . . . . 72.22 109.25 179.994 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.561 HD11 ' CB ' ' A' ' 4' ' ' SER . 0.2 OUTLIER -65.09 103.61 0.78 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.522 1.139 . . . . 71.33 109.321 179.955 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.615 HG11 ' CG ' ' A' ' 7' ' ' PHE . 3.2 p -108.86 115.48 49.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.545 1.153 . . . . 73.4 109.284 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.562 ' HB2' ' CD1' ' A' ' 24' ' ' TRP . 7.6 mm-40 -59.45 166.37 2.38 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.517 1.136 . . . . 75.13 110.25 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 19.5 mttt -86.3 9.49 17.68 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.491 1.119 . . . . 75.41 109.246 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.524 HG12 ' HB3' ' A' ' 21' ' ' GLU . 0.9 OUTLIER -113.46 -12.61 11.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.49 1.119 . . . . 72.13 109.32 179.996 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 24' ' ' TRP . . . . . 0.562 ' CD1' ' HB2' ' A' ' 21' ' ' GLU . 39.5 m0 -70.13 98.23 1.3 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.512 1.133 . . . . 74.41 107.965 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 25' ' ' ASN . . . . . 0.517 ' HA ' ' CE2' ' A' ' 66' ' ' TRP . 11.3 p-10 -63.25 179.7 0.39 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.451 1.094 . . . . 62.53 109.28 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 26' ' ' PHE . . . . . 0.556 ' CE2' ' OD2' ' A' ' 27' ' ' ASP . 20.2 p90 -49.5 -40.45 37.54 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.508 1.13 . . . . 70.02 110.969 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 27' ' ' ASP . . . . . 0.556 ' OD2' ' CE2' ' A' ' 26' ' ' PHE . 40.3 m-20 -62.72 -62.43 1.73 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.536 1.148 . . . . 62.52 109.316 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 28' ' ' ASP . . . . . 0.417 ' O ' ' HB2' ' A' ' 32' ' ' ALA . 50.1 t0 -54.14 -24.51 18.1 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.428 1.08 . . . . 64.44 109.292 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.679 ' CD2' HD21 ' A' ' 60' ' ' LEU . 0.4 OUTLIER -69.46 -57.7 4.91 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.508 1.13 . . . . 62.21 109.283 179.986 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.457 ' CD1' HG12 ' A' ' 48' ' ' ILE . 35.8 mm -59.33 -34.69 54.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.522 1.138 . . . . 61.22 109.271 -179.949 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 3.5 mmm -76.36 -28.39 56.8 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.45 1.094 . . . . 72.1 110.999 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' ALA . . . . . 0.634 ' HB1' HD11 ' A' ' 18' ' ' LEU . . . -60.21 -60.83 3.2 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.539 1.149 . . . . 65.32 109.309 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.572 ' H ' HD12 ' A' ' 33' ' ' ILE . 3.6 mp -60.49 -47.04 94.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.494 1.121 . . . . 75.33 109.291 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 2.4 m120 -54.65 -20.12 7.51 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.481 1.113 . . . . 74.43 109.316 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 1.4 t -77.92 -40.73 38.74 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.498 1.124 . . . . 70.45 110.0 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 0.782 ' CE ' HD23 ' A' ' 18' ' ' LEU . 0.1 OUTLIER -70.41 -38.37 74.63 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.513 1.133 . . . . 74.04 109.295 179.993 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.665 HD13 HD11 ' A' ' 45' ' ' ILE . 0.4 OUTLIER -88.49 -3.9 9.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.448 1.092 . . . . 72.14 109.294 -179.995 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 38' ' ' SER . . . . . 0.4 ' C ' ' O ' ' A' ' 37' ' ' ILE . 27.4 t -39.35 -30.11 0.06 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.521 1.138 . . . . 43.12 110.022 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 39' ' ' ASN . . . . . 0.433 ' N ' ' O ' ' A' ' 37' ' ' ILE . 17.0 t-20 -40.65 -50.01 3.03 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.464 1.102 . . . . 51.35 109.301 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 74.6 p -79.9 99.65 7.67 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.478 1.111 . . . . 62.44 110.426 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 28.1 t60 -99.99 43.36 1.06 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.491 1.119 . . . . 61.05 109.627 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 6.1 pt -120.94 -42.72 2.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.552 1.157 . . . . 71.31 109.316 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 3.1 m -175.27 95.23 0.27 Allowed Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.475 1.109 . . . . 72.21 110.046 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.97 -162.19 0.14 Allowed 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.493 1.786 . . . . 75.12 111.002 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 45' ' ' ILE . . . . . 0.718 HD12 ' O ' ' A' ' 45' ' ' ILE . 1.4 pp -116.89 117.37 55.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 O-C-N 124.537 1.148 . . . . 74.31 109.305 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 6.8 p -99.51 36.36 1.78 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.493 1.12 . . . . 75.31 110.43 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -168.96 126.9 1.0 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.467 1.104 . . . . 64.53 109.299 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.576 ' CD1' HD11 ' A' ' 29' ' ' LEU . 4.4 pt -125.18 149.5 29.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.472 1.108 . . . . 73.31 109.27 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 1.2 ttmp? -110.84 108.81 18.75 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.477 1.111 . . . . 75.21 109.339 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 50' ' ' TYR . . . . . 0.673 ' HB2' HD21 ' A' ' 81' ' ' LEU . 9.7 p90 -100.48 149.9 23.21 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.475 1.109 . . . . 74.41 111.019 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 44.7 tt0 -85.73 154.26 21.75 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.488 1.118 . . . . 64.42 110.34 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 7.5 t0 -115.58 -174.9 2.6 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.487 1.117 . . . . 74.22 109.323 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 2.4 pp20? -68.93 -34.34 75.21 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.503 1.127 . . . . 74.04 110.329 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 37.1 t70 -64.97 -16.02 62.9 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.468 1.105 . . . . 73.04 109.287 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 85.77 8.82 79.18 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.549 1.155 . . . . 63.4 111.003 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 2.7 t70 -99.13 139.46 34.74 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.496 0.763 . . . . 74.43 109.291 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 21.8 p90 -70.11 143.33 52.42 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.488 1.118 . . . . 74.22 110.989 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.491 HG23 ' CE1' ' A' ' 50' ' ' TYR . 0.1 OUTLIER -145.91 135.12 17.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.481 1.113 . . . . 71.54 109.256 -179.974 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 4.3 p -67.01 155.02 7.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.517 1.136 . . . . 61.41 109.354 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.981 HD12 ' N ' ' A' ' 61' ' ' GLY . 0.3 OUTLIER -141.33 122.86 15.06 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.508 1.13 . . . . 64.44 109.275 -179.95 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 61' ' ' GLY . . . . . 0.981 ' N ' HD12 ' A' ' 60' ' ' LEU . . . -165.12 28.75 0.2 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.549 1.155 . . . . 60.34 110.936 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 11.8 m -161.85 162.71 29.44 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.495 0.762 . . . . 52.31 110.005 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 63' ' ' ASP . . . . . 0.443 ' OD1' ' ND2' ' A' ' 67' ' ' ASN . 25.4 t70 -65.34 -20.99 66.64 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.509 1.131 . . . . 61.02 109.339 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 64' ' ' GLU . . . . . 0.428 ' OE1' HG21 ' A' ' 68' ' ' VAL . 18.2 tp10 -77.1 -18.69 57.8 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.459 1.099 . . . . 71.34 110.322 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 65' ' ' ASP . . . . . 0.473 ' CB ' HD13 ' A' ' 60' ' ' LEU . 4.1 m-20 -108.05 -13.69 14.89 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.542 1.151 . . . . 71.33 109.283 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 66' ' ' TRP . . . . . 0.596 ' CZ3' ' OD1' ' A' ' 67' ' ' ASN . 8.3 t90 -90.81 -28.51 18.16 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.558 1.161 . . . . 74.44 107.973 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 67' ' ' ASN . . . . . 0.596 ' OD1' ' CZ3' ' A' ' 66' ' ' TRP . 42.0 m-20 -89.6 -49.2 6.8 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.472 1.107 . . . . 73.1 109.279 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.428 HG21 ' OE1' ' A' ' 64' ' ' GLU . 62.9 t -62.1 -15.32 13.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.48 1.113 . . . . 62.24 109.324 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 69' ' ' ALA . . . . . 0.446 ' CB ' ' CE2' ' A' ' 50' ' ' TYR . . . -91.96 -40.21 11.25 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.531 1.144 . . . . 42.34 109.32 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 70' ' ' LYS . . . . . 0.485 ' HZ1' ' HA ' ' A' ' 67' ' ' ASN . 10.8 mtmm -66.87 -58.84 4.22 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.501 1.126 . . . . 73.41 109.323 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 76.7 mt-10 -44.24 -27.73 0.45 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.518 1.136 . . . . 74.14 110.283 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 1.5 tpt -69.18 -42.1 76.28 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.535 1.147 . . . . 72.22 111.0 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.495 HD11 HD12 ' A' ' 81' ' ' LEU . 5.2 mt -54.03 -45.21 71.53 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.512 1.132 . . . . 71.13 109.29 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -56.79 -32.99 66.22 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.499 1.124 . . . . 71.2 109.294 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 53.2 mt-10 -84.7 -21.42 30.15 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.564 1.165 . . . . 70.24 110.312 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 81.4 m-20 -89.83 -14.03 35.27 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.462 1.102 . . . . 72.25 109.261 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 25.0 m-80 60.8 39.83 16.67 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.522 1.139 . . . . 70.52 109.272 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -121.22 154.95 35.61 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.522 1.138 . . . . 72.34 110.332 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 15.3 mmtp -113.37 15.32 19.22 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.493 1.12 . . . . 74.33 109.302 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 8.0 p90 -135.81 174.18 10.9 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.467 1.104 . . . . 73.11 111.014 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.749 HD23 ' H ' ' A' ' 82' ' ' ASN . 1.2 tt -140.4 166.36 24.93 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.506 1.129 . . . . 70.04 109.308 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 82' ' ' ASN . . . . . 0.749 ' H ' HD23 ' A' ' 81' ' ' LEU . 1.4 t30 -127.24 107.65 10.19 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.492 1.12 . . . . 53.2 109.326 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 83' ' ' ILE . . . . . 0.737 HD11 HD22 ' A' ' 81' ' ' LEU . 17.6 mm -108.7 149.82 11.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.482 1.114 . . . . 61.21 109.294 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 19.3 ttm-85 -116.44 146.86 42.22 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.523 1.139 . . . . 75.34 110.343 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.635 HD21 HG12 ' A' ' 45' ' ' ILE . 7.2 tp -145.68 116.22 7.62 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.489 1.118 . . . . 44.11 109.287 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 29.0 p90 . . . . . 0 C--N 1.324 -0.51 0 O-C-N 124.569 1.168 . . . . 74.51 110.98 179.997 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 N--CA 1.452 -0.923 0 N-CA-C 111.0 -0.423 . . . . 72.34 111.0 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' LEU . . . . . 0.49 ' N ' HD23 ' A' ' 2' ' ' LEU . 0.2 OUTLIER -98.82 94.65 6.72 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.426 1.079 . . . . 71.14 109.308 179.978 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -151.61 21.46 0.92 Allowed Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.506 1.129 . . . . 42.13 111.017 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -163.87 176.82 9.1 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.534 0.784 . . . . 72.41 109.995 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 18.2 mt -122.84 144.98 30.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.479 1.112 . . . . 73.43 109.296 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.89 HD22 ' H ' ' A' ' 7' ' ' PHE . 0.9 OUTLIER -103.35 145.02 30.59 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.445 1.091 . . . . 73.24 109.304 179.989 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 7' ' ' PHE . . . . . 0.89 ' H ' HD22 ' A' ' 6' ' ' LEU . 1.8 m-85 -124.14 120.14 31.47 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.476 1.11 . . . . 72.21 110.993 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 8' ' ' ARG . . . . . 0.456 ' CG ' ' HA ' ' A' ' 82' ' ' ASN . 3.8 ptp85 -106.25 77.38 1.22 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.494 1.121 . . . . 73.52 110.288 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.475 ' CG2' HD12 ' A' ' 85' ' ' LEU . 3.1 mp -47.16 108.77 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.502 1.126 . . . . 75.23 109.346 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 29.9 m -105.16 116.3 31.71 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.501 1.126 . . . . 73.34 110.027 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 1.5 t80 -98.2 -165.6 1.27 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.508 1.13 . . . . 75.43 110.994 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 52.8 t30 -48.71 -58.5 4.66 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.462 1.101 . . . . 74.41 109.307 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 1.6 m -137.72 12.19 2.93 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.493 1.12 . . . . 55.01 109.974 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' GLU . . . . . 0.826 ' O ' HD13 ' A' ' 15' ' ' ILE . 6.8 mt-10 -109.43 159.22 17.21 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.55 1.156 . . . . 62.52 110.333 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.826 HD13 ' O ' ' A' ' 14' ' ' GLU . 8.8 mm -143.29 145.11 22.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.482 1.114 . . . . 74.52 109.296 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 16' ' ' PHE . . . . . 0.462 ' O ' ' N ' ' A' ' 9' ' ' ILE . 5.8 t80 -157.84 146.16 19.01 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.538 1.149 . . . . 61.15 111.004 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 1.8 p -107.87 157.65 18.0 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.513 1.133 . . . . 75.3 110.407 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.644 HD13 ' O ' ' A' ' 18' ' ' LEU . 0.3 OUTLIER -165.39 119.81 1.26 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.529 1.143 . . . . 41.22 109.323 -179.981 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.665 HD13 ' N ' ' A' ' 20' ' ' VAL . 0.2 OUTLIER -77.16 127.04 31.93 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.492 1.12 . . . . 62.31 109.337 179.984 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.665 ' N ' HD13 ' A' ' 19' ' ' LEU . 14.6 p -129.74 121.8 53.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.503 1.127 . . . . 72.21 109.297 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.524 ' HB3' HG12 ' A' ' 23' ' ' VAL . 42.5 mt-10 -63.26 165.13 7.8 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.498 1.124 . . . . 72.21 110.286 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 13.9 mttt -89.35 13.9 12.46 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.502 1.126 . . . . 63.34 109.305 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.524 HG12 ' HB3' ' A' ' 21' ' ' GLU . 0.2 OUTLIER -110.9 -34.51 2.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.469 1.105 . . . . 74.2 109.324 -179.992 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 24' ' ' TRP . . . . . 0.516 ' CD1' ' HB2' ' A' ' 21' ' ' GLU . 13.3 m0 -58.5 100.47 0.06 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.51 1.131 . . . . 64.42 107.984 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 25' ' ' ASN . . . . . 0.443 ' OD1' ' CB ' ' A' ' 27' ' ' ASP . 22.8 p30 -55.26 -174.55 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.454 1.096 . . . . 65.42 109.313 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 7.8 p90 -61.54 -28.37 69.28 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.524 1.14 . . . . 73.44 111.005 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' ASP . . . . . 0.443 ' CB ' ' OD1' ' A' ' 25' ' ' ASN . 1.6 t70 -67.26 -65.9 0.63 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.5 1.125 . . . . 63.32 109.346 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 28' ' ' ASP . . . . . 0.448 ' O ' ' HB2' ' A' ' 32' ' ' ALA . 5.3 m-20 -56.88 -34.93 68.36 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.452 1.095 . . . . 74.54 109.307 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.951 HD21 HD21 ' A' ' 60' ' ' LEU . 0.6 OUTLIER -55.75 -47.26 77.28 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.462 1.101 . . . . 70.45 109.248 179.998 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.58 HD11 HG12 ' A' ' 48' ' ' ILE . 25.2 mm -70.72 -52.39 28.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.559 1.162 . . . . 62.35 109.282 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 9.2 mmt -60.09 -16.04 28.35 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.47 1.106 . . . . 62.0 110.997 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' ALA . . . . . 0.448 ' HB2' ' O ' ' A' ' 28' ' ' ASP . . . -75.95 -66.78 0.75 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.503 1.127 . . . . 72.02 109.257 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.507 ' H ' HD12 ' A' ' 33' ' ' ILE . 4.3 mp -61.01 -30.27 47.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.527 1.142 . . . . 73.24 109.317 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -65.83 -11.54 47.24 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.473 1.108 . . . . 60.35 109.315 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 17.8 t -103.27 -30.8 10.42 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.534 1.146 . . . . 75.31 109.998 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 0.568 ' HE2' HD23 ' A' ' 18' ' ' LEU . 16.3 mmtm -74.09 -36.65 64.29 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.535 1.147 . . . . 70.15 109.301 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.497 HG23 ' O ' ' A' ' 33' ' ' ILE . 5.9 pt -86.29 -7.9 11.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.529 1.143 . . . . 71.15 109.327 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 2.7 p -42.28 -28.06 0.18 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.478 1.112 . . . . 62.45 109.918 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 9.3 t30 -40.33 -45.82 2.21 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.497 1.123 . . . . 65.31 109.312 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 17.0 p -72.46 140.19 48.13 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.542 1.151 . . . . 71.1 110.412 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 12.4 m170 -112.66 47.75 1.07 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.481 1.113 . . . . 75.23 109.61 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.49 ' O ' ' CB ' ' A' ' 43' ' ' SER . 9.7 pt -119.33 -45.14 2.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.458 1.099 . . . . 71.33 109.288 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 43' ' ' SER . . . . . 0.49 ' CB ' ' O ' ' A' ' 42' ' ' ILE . 1.1 m 159.88 141.31 0.01 OUTLIER Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.472 1.108 . . . . 72.22 110.022 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 -162.23 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.459 1.768 . . . . 74.12 110.97 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' ILE . . . . . 0.71 HD12 ' O ' ' A' ' 45' ' ' ILE . 1.5 pp -144.27 104.84 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.533 1.146 . . . . 75.44 109.328 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 6.2 t -79.39 2.94 19.9 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.493 1.12 . . . . 74.4 110.355 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 47' ' ' LYS . . . . . 0.53 ' HD2' HG21 ' A' ' 59' ' ' VAL . 18.0 mmtp -126.6 123.11 36.89 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.508 1.13 . . . . 74.54 109.294 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.58 HG12 HD11 ' A' ' 30' ' ' ILE . 11.7 pt -123.27 120.13 59.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.544 1.153 . . . . 70.31 109.282 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 24.7 mttp -88.56 91.72 8.91 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.532 1.145 . . . . 60.42 109.296 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 50' ' ' TYR . . . . . 0.602 ' CE1' HG23 ' A' ' 58' ' ' VAL . 9.5 p90 -86.09 148.62 25.62 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.453 1.096 . . . . 74.14 111.006 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 40.8 tt0 -77.31 156.37 31.37 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.461 1.101 . . . . 72.22 110.25 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 2.1 p-10 -122.52 -177.29 3.59 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.472 1.107 . . . . 73.42 109.3 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 19.1 pt-20 -60.31 -46.1 91.06 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.458 1.099 . . . . 72.12 110.308 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 7.9 t70 -50.63 -25.67 4.48 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.473 1.108 . . . . 73.35 109.304 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 95.65 12.05 54.2 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.495 1.122 . . . . 53.23 110.979 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 6.2 t70 -103.03 171.58 7.3 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.511 0.771 . . . . 74.33 109.289 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 96.9 m-85 -99.0 139.18 35.02 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.492 1.12 . . . . 64.42 110.968 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.602 HG23 ' CE1' ' A' ' 50' ' ' TYR . 0.2 OUTLIER -138.92 139.98 39.54 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.475 1.11 . . . . 51.41 109.32 179.993 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.53 HG21 ' HD2' ' A' ' 47' ' ' LYS . 12.2 p -66.28 144.15 14.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.489 1.118 . . . . 72.13 109.334 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.951 HD21 HD21 ' A' ' 29' ' ' LEU . 1.2 tp -131.01 112.49 12.97 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.508 1.13 . . . . 70.22 109.327 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 61' ' ' GLY . . . . . 0.488 ' N ' HD12 ' A' ' 60' ' ' LEU . . . -151.89 24.01 0.91 Allowed Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.494 1.121 . . . . 61.44 111.016 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -148.21 157.24 43.38 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.508 0.77 . . . . 64.03 110.011 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 63' ' ' ASP . . . . . 0.428 ' O ' ' N ' ' A' ' 67' ' ' ASN . 1.4 p30 -65.13 -31.6 72.88 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.496 1.122 . . . . 74.13 109.284 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 64' ' ' GLU . . . . . 0.621 ' O ' HG23 ' A' ' 68' ' ' VAL . 46.2 mt-10 -72.61 -32.83 66.25 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.503 1.127 . . . . 43.24 110.299 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -83.64 -15.52 48.61 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.544 1.153 . . . . 63.42 109.275 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 66' ' ' TRP . . . . . 0.742 ' HB2' HD11 ' A' ' 60' ' ' LEU . 10.9 t-105 -100.24 -23.68 14.75 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.507 1.13 . . . . 71.4 107.99 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 67' ' ' ASN . . . . . 0.428 ' N ' ' O ' ' A' ' 63' ' ' ASP . 5.9 t30 -88.68 -48.79 7.28 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.469 1.105 . . . . 75.0 109.256 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.621 HG23 ' O ' ' A' ' 64' ' ' GLU . 76.9 t -60.3 -25.27 33.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.514 1.134 . . . . 62.42 109.293 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 69' ' ' ALA . . . . . 0.48 ' CB ' ' CE2' ' A' ' 50' ' ' TYR . . . -78.57 -48.29 15.51 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.502 1.126 . . . . 73.01 109.269 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 70' ' ' LYS . . . . . 0.437 ' HD3' ' CZ2' ' A' ' 66' ' ' TRP . 28.9 mtmt -52.77 -53.75 43.74 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.514 1.134 . . . . 73.42 109.294 -179.951 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 31.2 mm-40 -54.18 -19.37 5.01 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.528 1.142 . . . . 71.02 110.295 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 72' ' ' MET . . . . . 0.405 ' O ' ' N ' ' A' ' 76' ' ' ASN . 5.2 ttm -78.45 -34.73 47.57 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.477 1.111 . . . . 54.44 110.981 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.688 HD13 ' CG ' ' A' ' 78' ' ' GLU . 0.5 OUTLIER -48.62 -59.38 3.57 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.47 1.106 . . . . 71.54 109.283 -179.974 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -50.62 -30.87 14.47 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.503 1.127 . . . . 51.53 109.259 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 11.4 mt-10 -80.91 -26.75 36.54 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.475 1.109 . . . . 72.2 110.33 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 76' ' ' ASN . . . . . 0.423 ' C ' ' N ' ' A' ' 78' ' ' GLU . 88.9 m-20 -87.9 11.22 16.27 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.489 1.118 . . . . 72.12 109.259 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 39.8 m-80 40.46 30.1 0.08 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.489 1.118 . . . . 71.44 109.316 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 78' ' ' GLU . . . . . 0.688 ' CG ' HD13 ' A' ' 73' ' ' LEU . 9.0 pt-20 -113.47 164.27 13.83 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.453 1.096 . . . . 74.12 110.28 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 36.4 mtmt -126.62 15.19 7.59 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.481 1.113 . . . . 73.42 109.292 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 80' ' ' PHE . . . . . 0.527 ' CE1' ' HB2' ' A' ' 78' ' ' GLU . 1.3 p90 -135.65 173.91 11.19 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.514 1.134 . . . . 42.31 110.973 -179.948 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.738 HD12 ' CE1' ' A' ' 7' ' ' PHE . 1.5 tm? -147.02 150.72 35.67 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.487 1.117 . . . . 72.42 109.307 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 82' ' ' ASN . . . . . 0.61 ' N ' HD13 ' A' ' 81' ' ' LEU . 0.7 OUTLIER -126.83 148.2 49.98 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.555 1.16 . . . . 71.42 109.281 -179.957 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 83' ' ' ILE . . . . . 0.565 HD11 ' CE2' ' A' ' 7' ' ' PHE . 36.9 mm -122.76 159.01 26.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.52 1.137 . . . . 71.12 109.326 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 43.5 ttt-85 -127.01 116.84 21.36 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.435 1.085 . . . . 74.52 110.325 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.475 HD12 ' CG2' ' A' ' 9' ' ' ILE . 11.8 mt -110.8 133.85 53.0 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 73.02 109.309 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 9.1 t80 . . . . . 0 C--N 1.324 -0.513 0 O-C-N 124.535 1.147 . . . . 73.1 110.983 -179.997 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 N--CA 1.453 -0.897 0 N-CA-C 110.998 -0.424 . . . . 73.32 110.998 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -95.59 -174.3 3.13 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.469 1.106 . . . . 75.41 109.321 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 39.45 67.05 0.65 Allowed Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.509 1.13 . . . . 72.4 110.992 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -152.47 171.54 17.92 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.494 0.761 . . . . 71.34 109.992 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.427 HD12 ' HG2' ' A' ' 22' ' ' LYS . 23.8 mt -123.01 145.75 29.4 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.503 1.127 . . . . 64.14 109.257 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.831 HD22 ' H ' ' A' ' 7' ' ' PHE . 0.9 OUTLIER -102.95 147.2 27.23 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.524 1.14 . . . . 73.42 109.292 -179.99 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 7' ' ' PHE . . . . . 0.831 ' H ' HD22 ' A' ' 6' ' ' LEU . 1.6 m-85 -123.76 112.62 17.54 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.45 1.094 . . . . 34.42 111.002 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 8' ' ' ARG . . . . . 0.456 ' HG2' ' CG2' ' A' ' 15' ' ' ILE . 41.9 ttp180 -92.72 85.18 5.15 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.531 1.144 . . . . 74.1 110.289 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.603 ' H ' HD12 ' A' ' 9' ' ' ILE . 4.3 mp -65.28 161.86 2.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.508 1.13 . . . . 74.44 109.286 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 10' ' ' SER . . . . . 0.447 ' O ' ' N ' ' A' ' 85' ' ' LEU . 1.6 p -162.09 135.91 6.48 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.527 1.142 . . . . 75.23 109.99 179.944 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 11' ' ' TYR . . . . . 0.454 ' C ' ' N ' ' A' ' 13' ' ' SER . 68.7 t80 -146.62 176.59 9.72 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.47 1.106 . . . . 72.55 111.01 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 12' ' ' ASN . . . . . 0.432 ' N ' ' CG ' ' A' ' 11' ' ' TYR . 8.6 t-20 -39.65 -29.08 0.05 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.51 1.131 . . . . 50.42 109.297 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 13' ' ' SER . . . . . 0.454 ' N ' ' C ' ' A' ' 11' ' ' TYR . 18.9 t -72.86 -95.47 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.482 1.113 . . . . 73.03 109.979 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 29.5 mt-10 -141.64 -170.93 3.22 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.575 1.172 . . . . 74.12 110.317 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.456 ' CG2' ' HG2' ' A' ' 8' ' ' ARG . 1.0 OUTLIER -106.01 121.66 58.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.506 1.129 . . . . 75.43 109.296 -179.968 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 31.9 m-85 -115.59 176.68 4.97 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.454 1.096 . . . . 61.24 110.97 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.672 ' HB ' HD21 ' A' ' 6' ' ' LEU . 7.8 p -131.87 146.78 52.32 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.479 1.112 . . . . 74.12 110.361 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.692 HD23 ' CE ' ' A' ' 36' ' ' LYS . 1.5 tm? -147.08 122.18 10.13 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.506 1.129 . . . . 63.1 109.314 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.527 HD13 ' N ' ' A' ' 20' ' ' VAL . 0.3 OUTLIER -75.6 120.91 21.65 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.518 1.136 . . . . 75.05 109.277 -179.977 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.544 HG23 ' CE3' ' A' ' 24' ' ' TRP . 15.0 p -127.0 117.54 47.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.525 1.141 . . . . 64.14 109.296 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.555 ' OE2' ' CZ2' ' A' ' 24' ' ' TRP . 1.4 mp0 -56.58 167.87 0.66 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.476 1.11 . . . . 70.24 110.277 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 22' ' ' LYS . . . . . 0.427 ' HG2' HD12 ' A' ' 5' ' ' ILE . 17.5 mttt -89.85 15.67 9.45 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.514 1.134 . . . . 73.13 109.296 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.527 HG12 ' HB3' ' A' ' 21' ' ' GLU . 0.2 OUTLIER -113.71 -35.68 2.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.533 1.146 . . . . 72.21 109.306 179.982 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 24' ' ' TRP . . . . . 0.555 ' CZ2' ' OE2' ' A' ' 21' ' ' GLU . 15.6 m0 -54.51 93.06 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 107.98 -1.119 . . . . 73.44 107.98 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 25' ' ' ASN . . . . . 0.439 ' N ' ' O ' ' A' ' 23' ' ' VAL . 26.3 p-10 -51.4 176.9 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.468 1.105 . . . . 74.22 109.293 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 26' ' ' PHE . . . . . 0.403 ' CG ' ' N ' ' A' ' 27' ' ' ASP . 29.9 p90 -50.02 -35.38 24.55 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.464 1.103 . . . . 73.01 110.999 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 27' ' ' ASP . . . . . 0.403 ' N ' ' CG ' ' A' ' 26' ' ' PHE . 0.9 OUTLIER -62.91 -71.99 0.15 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.566 1.166 . . . . 75.41 109.257 -179.984 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -51.68 -22.68 3.63 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.515 1.134 . . . . 64.2 109.255 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.781 HD21 HD21 ' A' ' 60' ' ' LEU . 1.0 OUTLIER -69.68 -58.42 3.94 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.459 1.1 . . . . 63.31 109.297 -179.991 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.425 HD13 ' HA ' ' A' ' 30' ' ' ILE . 13.5 mm -56.92 -21.16 13.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.462 1.101 . . . . 75.43 109.312 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 16.0 mtp -90.48 -22.44 21.37 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.494 1.121 . . . . 35.24 111.011 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' ALA . . . . . 0.512 ' HB1' HD11 ' A' ' 18' ' ' LEU . . . -69.24 -39.76 78.3 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.454 1.096 . . . . 63.14 109.265 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.661 HD11 ' CD2' ' A' ' 7' ' ' PHE . 2.5 mp -82.95 -43.96 18.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.46 1.1 . . . . 74.4 109.276 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 2.4 m120 -60.17 -16.01 29.05 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.53 1.144 . . . . 62.01 109.334 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 9.6 t -79.62 -36.66 37.61 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.465 1.103 . . . . 52.34 109.991 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 0.692 ' CE ' HD23 ' A' ' 18' ' ' LEU . 1.1 mptp? -75.64 -48.81 20.58 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.471 1.107 . . . . 64.24 109.31 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.639 ' CD1' HD11 ' A' ' 45' ' ' ILE . 0.7 OUTLIER -74.52 -4.22 5.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.534 1.147 . . . . 74.44 109.282 -179.945 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 38' ' ' SER . . . . . 0.452 ' C ' ' N ' ' A' ' 40' ' ' THR . 28.9 t -49.41 -23.09 1.34 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.502 1.126 . . . . 54.55 110.036 179.933 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 39' ' ' ASN . . . . . 0.401 ' C ' ' O ' ' A' ' 38' ' ' SER . 12.6 p30 -40.39 -29.93 0.1 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.493 1.121 . . . . 74.22 109.289 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 40' ' ' THR . . . . . 0.452 ' N ' ' C ' ' A' ' 38' ' ' SER . 0.0 OUTLIER -119.63 103.49 9.45 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.581 1.176 . . . . 73.4 110.425 179.961 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 6.1 p-80 -92.55 31.09 1.39 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.531 1.145 . . . . 73.33 109.595 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 3.2 pt -90.93 -36.77 8.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.484 1.115 . . . . 72.05 109.286 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 1.9 m 174.04 93.83 0.07 OUTLIER Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.54 1.15 . . . . 74.14 110.004 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 -162.2 0.14 Allowed 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.431 1.753 . . . . 54.11 110.981 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 45' ' ' ILE . . . . . 0.65 HG12 HD22 ' A' ' 85' ' ' LEU . 1.4 pp -121.04 99.73 7.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.488 1.117 . . . . 72.41 109.307 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 13.6 p -63.38 -22.95 67.19 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.522 1.139 . . . . 75.34 110.375 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 18.2 ptmt -118.57 144.37 46.14 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.545 1.153 . . . . 71.14 109.256 -179.946 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 1.082 HG22 HD21 ' A' ' 85' ' ' LEU . 2.5 pp -135.54 154.49 35.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.511 1.132 . . . . 74.33 109.254 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 22.9 ttmt -114.28 129.63 56.64 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.448 1.093 . . . . 65.43 109.294 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 50' ' ' TYR . . . . . 0.745 ' HB2' HD11 ' A' ' 81' ' ' LEU . 8.9 p90 -118.84 148.85 42.43 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.536 1.147 . . . . 75.5 111.042 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 51' ' ' GLN . . . . . 0.419 ' CG ' ' HA2' ' A' ' 55' ' ' GLY . 38.8 tt0 -77.45 148.78 35.23 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.516 1.135 . . . . 73.31 110.267 -179.944 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 52' ' ' ASP . . . . . 0.447 ' OD1' ' N ' ' A' ' 54' ' ' ASP . 7.3 p30 -117.23 -174.13 2.54 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.493 1.121 . . . . 65.33 109.304 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 53' ' ' GLU . . . . . 0.686 ' HA ' HD22 ' A' ' 76' ' ' ASN . 9.9 pt-20 -62.58 -31.33 72.13 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.526 1.141 . . . . 62.14 110.291 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 54' ' ' ASP . . . . . 0.447 ' N ' ' OD1' ' A' ' 52' ' ' ASP . 0.8 OUTLIER -84.75 7.38 20.82 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.457 1.098 . . . . 61.24 109.33 -179.994 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 55' ' ' GLY . . . . . 0.419 ' HA2' ' CG ' ' A' ' 51' ' ' GLN . . . 57.05 16.41 18.48 Favored Glycine 0 CA--C 1.531 1.074 0 O-C-N 124.501 1.126 . . . . 73.54 110.965 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -94.53 102.39 14.32 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.519 0.776 . . . . 73.21 109.333 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 3.6 p90 -44.53 117.19 1.21 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.505 1.128 . . . . 73.31 111.019 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.653 HG23 ' CE1' ' A' ' 50' ' ' TYR . 0.1 OUTLIER -118.8 136.67 55.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.459 1.1 . . . . 73.3 109.318 180.0 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 8.9 p -61.32 157.42 3.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.481 1.113 . . . . 64.42 109.318 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.781 HD21 HD21 ' A' ' 29' ' ' LEU . 5.2 tp -144.93 111.97 5.95 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.495 1.122 . . . . 75.13 109.311 179.933 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -155.44 23.26 0.57 Allowed Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.505 1.128 . . . . 23.12 110.996 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 2.3 p -152.31 174.73 13.45 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.543 0.79 . . . . 63.44 109.998 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -78.44 -29.83 47.19 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.508 1.13 . . . . 61.42 109.302 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 64' ' ' GLU . . . . . 0.488 ' O ' ' CG2' ' A' ' 68' ' ' VAL . 6.8 tt0 -71.48 -13.88 61.95 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.467 1.105 . . . . 74.54 110.316 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 65' ' ' ASP . . . . . 0.443 ' O ' ' HB2' ' A' ' 69' ' ' ALA . 0.6 OUTLIER -111.96 -15.55 13.29 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.496 1.123 . . . . 75.13 109.31 -179.997 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 66' ' ' TRP . . . . . 0.571 ' CZ2' ' NZ ' ' A' ' 70' ' ' LYS . 0.1 OUTLIER -94.3 -23.68 17.74 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.544 1.152 . . . . 74.5 108.009 -179.975 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 7.8 t30 -95.02 -50.24 5.18 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.49 1.119 . . . . 64.24 109.315 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.488 ' CG2' ' O ' ' A' ' 64' ' ' GLU . 87.2 t -61.15 -15.78 13.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.474 1.108 . . . . 73.34 109.283 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 69' ' ' ALA . . . . . 0.513 ' O ' HD23 ' A' ' 73' ' ' LEU . . . -84.88 -38.69 19.13 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.482 1.114 . . . . 73.12 109.284 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 70' ' ' LYS . . . . . 0.571 ' NZ ' ' CZ2' ' A' ' 66' ' ' TRP . 52.1 mttt -65.87 -55.45 16.94 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.543 1.152 . . . . 63.44 109.333 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 8.7 pt-20 -44.48 -26.29 0.34 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.472 1.108 . . . . 73.22 110.255 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 72' ' ' MET . . . . . 0.401 ' N ' ' C ' ' A' ' 70' ' ' LYS . 0.7 OUTLIER -79.92 -39.87 29.4 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.49 1.119 . . . . 74.1 110.99 -179.989 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.873 HD13 ' CG ' ' A' ' 78' ' ' GLU . 0.4 OUTLIER -50.92 -62.95 1.3 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.539 1.149 . . . . 65.02 109.298 -179.974 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -49.87 -31.62 12.48 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.519 1.137 . . . . 72.22 109.314 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 7.6 mt-10 -75.36 -30.51 60.22 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.549 1.156 . . . . 75.23 110.26 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 76' ' ' ASN . . . . . 0.686 HD22 ' HA ' ' A' ' 53' ' ' GLU . 3.2 m-20 -88.12 11.9 15.02 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.572 1.17 . . . . 51.4 109.328 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 3.6 m-80 40.42 36.11 0.33 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.517 1.136 . . . . 65.3 109.329 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 78' ' ' GLU . . . . . 0.873 ' CG ' HD13 ' A' ' 73' ' ' LEU . 7.8 pt-20 -113.91 144.78 42.48 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.482 1.113 . . . . 72.13 110.332 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 5.7 mtmp? -111.38 19.74 17.95 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.52 1.138 . . . . 65.4 109.311 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 3.1 p90 -141.44 158.12 44.28 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.49 1.119 . . . . 75.41 111.05 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.858 HD13 ' N ' ' A' ' 82' ' ' ASN . 1.5 tm? -133.19 164.11 27.79 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.458 1.099 . . . . 63.13 109.296 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 82' ' ' ASN . . . . . 0.858 ' N ' HD13 ' A' ' 81' ' ' LEU . 7.6 t-20 -132.09 138.2 48.04 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.492 1.12 . . . . 73.04 109.319 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 83' ' ' ILE . . . . . 0.565 HG13 ' CD2' ' A' ' 7' ' ' PHE . 25.9 mm -131.09 136.43 57.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.491 1.12 . . . . 74.12 109.306 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 23.1 ttt180 -111.57 150.06 30.56 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.488 1.118 . . . . 65.44 110.337 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 1.082 HD21 HG22 ' A' ' 48' ' ' ILE . 96.0 mt -134.17 127.31 31.75 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.543 1.152 . . . . 75.11 109.276 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 86' ' ' TYR . . . . . 0.506 ' O ' ' CD1' ' A' ' 86' ' ' TYR . 10.9 t80 . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.526 1.141 . . . . 72.51 111.004 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 N--CA 1.453 -0.897 0 N-CA-C 111.041 -0.407 . . . . 61.4 111.041 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 35.2 mt -80.04 -20.8 44.46 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.527 1.142 . . . . 74.0 109.331 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -83.62 70.14 3.23 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.573 1.17 . . . . 73.35 110.987 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' SER . . . . . 0.734 ' HB2' HD11 ' A' ' 19' ' ' LEU . 0.7 OUTLIER -157.24 178.43 10.34 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.468 0.746 . . . . 75.35 110.0 -179.959 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.496 ' CG2' ' N ' ' A' ' 6' ' ' LEU . 7.8 mt -118.78 164.08 15.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.478 1.112 . . . . 72.12 109.261 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.717 HD22 ' H ' ' A' ' 7' ' ' PHE . 1.9 tm? -123.06 147.05 47.15 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.506 1.129 . . . . 74.12 109.253 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 7' ' ' PHE . . . . . 1.145 ' CE2' HG11 ' A' ' 20' ' ' VAL . 15.5 m-85 -136.63 116.27 12.95 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.484 1.115 . . . . 75.21 110.974 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 8' ' ' ARG . . . . . 0.453 ' HB2' ' CG2' ' A' ' 15' ' ' ILE . 4.2 ptm180 -86.69 53.41 2.81 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.449 1.093 . . . . 71.1 110.315 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.834 ' CG2' HD12 ' A' ' 85' ' ' LEU . 5.8 mt -44.11 111.38 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.505 1.128 . . . . 71.13 109.31 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 10' ' ' SER . . . . . 0.707 ' HB2' HD13 ' A' ' 15' ' ' ILE . 0.3 OUTLIER -109.17 141.02 41.99 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.526 1.141 . . . . 65.31 109.988 -179.973 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 11' ' ' TYR . . . . . 0.478 ' CG ' ' N ' ' A' ' 12' ' ' ASN . 74.1 t80 -143.19 175.54 9.81 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.496 1.122 . . . . 71.53 110.971 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 12' ' ' ASN . . . . . 0.478 ' N ' ' CG ' ' A' ' 11' ' ' TYR . 28.7 t30 -39.11 -29.5 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.5 1.125 . . . . 70.0 109.306 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 13' ' ' SER . . . . . 0.46 ' N ' ' O ' ' A' ' 11' ' ' TYR . 45.5 t -71.8 -76.18 0.12 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.515 1.134 . . . . 43.33 109.95 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 14' ' ' GLU . . . . . 0.556 ' HG2' ' CE1' ' A' ' 16' ' ' PHE . 1.8 pt-20 -170.08 -159.11 0.19 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.502 1.126 . . . . 72.12 110.299 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.707 HD13 ' HB2' ' A' ' 10' ' ' SER . 1.7 mm -91.64 134.81 28.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.49 1.119 . . . . 55.53 109.315 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 16' ' ' PHE . . . . . 0.556 ' CE1' ' HG2' ' A' ' 14' ' ' GLU . 25.1 m-85 -129.94 130.0 44.53 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.489 1.118 . . . . 73.33 110.981 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.539 ' HB ' HD21 ' A' ' 6' ' ' LEU . 2.2 p -97.05 129.04 44.54 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.488 1.117 . . . . 62.01 110.399 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.694 ' C ' HD23 ' A' ' 18' ' ' LEU . 4.2 tt -132.01 124.85 30.14 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.464 1.103 . . . . 74.1 109.348 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.734 HD11 ' HB2' ' A' ' 4' ' ' SER . 0.3 OUTLIER -80.77 113.5 19.01 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.486 1.116 . . . . 64.51 109.298 -179.963 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 1.145 HG11 ' CE2' ' A' ' 7' ' ' PHE . 14.3 p -106.49 140.21 25.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.504 1.128 . . . . 74.44 109.307 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.567 ' HB2' ' CD1' ' A' ' 24' ' ' TRP . 53.3 mt-10 -81.17 161.46 24.03 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.511 1.132 . . . . 75.11 110.302 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 22' ' ' LYS . . . . . 0.44 ' CG ' ' HA ' ' A' ' 4' ' ' SER . 0.6 OUTLIER -89.38 14.93 10.05 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.478 1.111 . . . . 73.02 109.316 179.995 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.506 HG13 ' CD1' ' A' ' 24' ' ' TRP . 0.2 OUTLIER -115.09 -37.33 2.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 O-C-N 124.46 1.1 . . . . 50.44 109.322 179.98 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 24' ' ' TRP . . . . . 0.567 ' CD1' ' HB2' ' A' ' 21' ' ' GLU . 9.1 m0 -58.31 105.41 0.28 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.552 1.157 . . . . 74.11 107.965 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 25' ' ' ASN . . . . . 0.511 ' HA ' ' CE2' ' A' ' 66' ' ' TRP . 20.1 p-10 -62.89 -178.68 0.22 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.527 1.142 . . . . 72.14 109.318 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 26' ' ' PHE . . . . . 0.432 ' CD1' ' N ' ' A' ' 27' ' ' ASP . 36.9 p90 -50.19 -36.15 29.41 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.489 1.118 . . . . 73.23 111.002 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 27' ' ' ASP . . . . . 0.432 ' N ' ' CD1' ' A' ' 26' ' ' PHE . 15.1 t70 -66.89 -73.0 0.14 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.483 1.114 . . . . 71.03 109.298 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 28' ' ' ASP . . . . . 0.416 ' CB ' ' HB3' ' A' ' 24' ' ' TRP . 43.1 m-20 -42.45 -32.98 0.6 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.52 1.137 . . . . 63.45 109.306 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.855 HD21 HD11 ' A' ' 48' ' ' ILE . 5.4 tp -57.8 -53.46 58.0 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.477 1.11 . . . . 55.35 109.316 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.689 HG23 ' HA ' ' A' ' 46' ' ' THR . 17.5 mm -56.95 -51.14 72.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.496 1.122 . . . . 74.13 109.278 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 50.4 mmm -57.53 -27.07 62.28 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.564 1.165 . . . . 74.32 111.03 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' ALA . . . . . 0.562 ' HB3' ' O ' ' A' ' 29' ' ' LEU . . . -64.37 -54.76 27.77 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.506 1.129 . . . . 75.22 109.286 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.731 HD12 ' O ' ' A' ' 29' ' ' LEU . 5.0 mp -62.77 -43.2 98.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.539 1.149 . . . . 72.45 109.285 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 1.5 m-80 -62.49 -15.35 49.6 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.527 1.142 . . . . 73.02 109.302 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 8.5 t -87.23 -45.41 10.66 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.484 1.115 . . . . 61.34 110.001 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 0.569 ' HG2' HD12 ' A' ' 18' ' ' LEU . 0.0 OUTLIER -65.46 -46.07 81.24 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.505 1.128 . . . . 72.05 109.286 -179.977 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.637 HG23 ' O ' ' A' ' 33' ' ' ILE . 1.4 pt -75.79 -15.6 15.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.48 1.113 . . . . 70.1 109.317 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 38' ' ' SER . . . . . 0.573 ' OG ' ' CE1' ' A' ' 41' ' ' HIS . 20.5 t -39.5 -34.09 0.2 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.124 . . . . 54.21 109.985 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 9.3 t-20 -42.47 -52.05 4.82 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.548 1.155 . . . . 73.24 109.303 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 73.1 p -57.38 -66.31 0.48 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.52 1.137 . . . . 63.42 110.374 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' HIS . . . . . 0.573 ' CE1' ' OG ' ' A' ' 38' ' ' SER . 3.7 m-70 65.93 29.91 10.07 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.464 1.103 . . . . 75.1 109.577 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.647 HD12 ' HB2' ' A' ' 43' ' ' SER . 1.4 pp -113.23 -34.99 2.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.512 1.132 . . . . 44.11 109.353 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 43' ' ' SER . . . . . 0.647 ' HB2' HD12 ' A' ' 42' ' ' ILE . 1.9 t -175.19 93.85 0.28 Allowed Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.477 1.111 . . . . 62.4 110.032 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 44' ' ' PRO . . . . . 0.55 ' HA ' HD11 ' A' ' 37' ' ' ILE . 18.5 Cg_endo -74.96 -162.22 0.14 Allowed 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.477 1.777 . . . . 64.12 111.025 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 45' ' ' ILE . . . . . 0.723 HD12 ' O ' ' A' ' 45' ' ' ILE . 1.4 pp -153.33 113.69 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.489 1.118 . . . . 74.04 109.26 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 46' ' ' THR . . . . . 0.689 ' HA ' HG23 ' A' ' 30' ' ' ILE . 38.6 p -91.63 35.04 0.95 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.49 1.119 . . . . 72.41 110.348 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 47' ' ' LYS . . . . . 0.436 ' O ' ' CG ' ' A' ' 47' ' ' LYS . 8.6 pttp -157.52 114.38 2.97 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.516 1.135 . . . . 53.34 109.331 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.855 HD11 HD21 ' A' ' 29' ' ' LEU . 7.5 pt -109.41 128.86 65.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.533 1.145 . . . . 71.34 109.309 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 49' ' ' LYS . . . . . 0.425 ' HD3' ' CB ' ' A' ' 57' ' ' PHE . 16.5 ttmm -95.34 103.49 15.36 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.491 1.12 . . . . 73.12 109.281 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 50' ' ' TYR . . . . . 0.876 ' HB2' HD11 ' A' ' 81' ' ' LEU . 8.7 p90 -95.53 146.98 24.04 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.487 1.117 . . . . 74.13 111.015 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 62.7 tt0 -73.95 152.2 40.16 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.473 1.108 . . . . 73.12 110.293 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 52' ' ' ASP . . . . . 0.44 ' OD2' ' CB ' ' A' ' 54' ' ' ASP . 9.8 p-10 -112.53 -177.55 3.18 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.519 1.137 . . . . 71.5 109.315 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 53' ' ' GLU . . . . . 0.401 ' N ' ' SD ' ' A' ' 72' ' ' MET . 17.4 pt-20 -64.77 -47.52 77.84 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.516 1.135 . . . . 74.54 110.251 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 54' ' ' ASP . . . . . 0.44 ' CB ' ' OD2' ' A' ' 52' ' ' ASP . 4.0 t0 -46.74 -28.64 1.58 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.518 1.136 . . . . 61.42 109.273 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 101.58 14.02 30.99 Favored Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.475 1.109 . . . . 61.3 110.992 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 15.2 t0 -104.63 -177.11 3.27 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.499 0.764 . . . . 70.34 109.331 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 57' ' ' PHE . . . . . 0.425 ' CB ' ' HD3' ' A' ' 49' ' ' LYS . 20.2 m-85 -108.94 139.39 43.86 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.522 1.139 . . . . 73.32 111.027 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -138.48 138.31 42.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.529 1.143 . . . . 50.43 109.262 -179.948 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 46.1 t -69.14 142.9 15.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.488 1.118 . . . . 74.03 109.345 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.815 HD21 ' CD2' ' A' ' 29' ' ' LEU . 0.3 OUTLIER -126.57 104.48 8.14 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.496 1.122 . . . . 74.31 109.314 -179.978 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 61' ' ' GLY . . . . . 0.503 ' N ' HD12 ' A' ' 60' ' ' LEU . . . -144.22 21.72 2.08 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.539 1.149 . . . . 63.24 110.965 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 1.4 m -147.56 175.78 10.59 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.487 0.757 . . . . 74.21 110.012 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 63' ' ' ASP . . . . . 0.444 ' O ' ' N ' ' A' ' 67' ' ' ASN . 1.1 p-10 -74.36 -29.56 61.62 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.495 1.122 . . . . 71.0 109.31 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 64' ' ' GLU . . . . . 0.631 ' O ' HG23 ' A' ' 68' ' ' VAL . 3.0 tt0 -66.88 -37.96 85.4 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.527 1.142 . . . . 73.22 110.327 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 9.0 m-20 -86.62 -14.29 43.15 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.5 1.125 . . . . 75.54 109.316 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 66' ' ' TRP . . . . . 0.597 ' CZ3' ' OD1' ' A' ' 67' ' ' ASN . 5.5 t90 -95.57 -19.18 19.99 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.52 1.138 . . . . 72.33 107.948 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 67' ' ' ASN . . . . . 0.597 ' OD1' ' CZ3' ' A' ' 66' ' ' TRP . 58.3 m-20 -98.38 -47.88 5.25 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.478 1.111 . . . . 65.42 109.282 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.631 HG23 ' O ' ' A' ' 64' ' ' GLU . 85.4 t -62.73 -30.52 49.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.483 1.115 . . . . 54.45 109.312 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 69' ' ' ALA . . . . . 0.489 ' HB2' ' CE2' ' A' ' 50' ' ' TYR . . . -73.47 -20.31 60.73 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.426 1.079 . . . . 75.41 109.292 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 5.1 mtmp? -87.95 -56.59 3.27 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.48 1.112 . . . . 72.12 109.288 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 20.4 pt-20 -49.44 -30.86 8.7 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.553 1.158 . . . . 62.41 110.326 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 72' ' ' MET . . . . . 0.427 ' O ' ' N ' ' A' ' 75' ' ' GLU . 5.7 ttp -64.94 -46.58 81.0 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.499 1.124 . . . . 75.41 111.051 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.836 HD21 HD23 ' A' ' 81' ' ' LEU . 4.1 mt -45.89 -45.55 15.32 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.492 1.12 . . . . 52.23 109.286 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -64.15 -36.83 85.34 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.466 1.104 . . . . 72.15 109.285 -179.937 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 75' ' ' GLU . . . . . 0.427 ' N ' ' O ' ' A' ' 72' ' ' MET . 10.1 mm-40 -74.79 -21.65 59.19 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.477 1.11 . . . . 72.23 110.328 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 76' ' ' ASN . . . . . 0.493 ' CB ' ' OE1' ' A' ' 78' ' ' GLU . 3.3 m120 -95.86 -14.21 23.37 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.479 1.112 . . . . 52.15 109.264 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 8.3 m-80 61.39 33.9 18.55 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.53 1.144 . . . . 72.14 109.266 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 78' ' ' GLU . . . . . 0.493 ' OE1' ' CB ' ' A' ' 76' ' ' ASN . 9.1 pt-20 -109.82 168.34 9.49 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.528 1.143 . . . . 74.32 110.321 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 30.2 mmtp -126.4 18.21 7.58 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.487 1.117 . . . . 71.31 109.299 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 26.4 p90 -141.69 166.91 23.45 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.511 1.132 . . . . 71.04 110.957 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.876 HD11 ' HB2' ' A' ' 50' ' ' TYR . 2.1 tm? -143.94 150.55 38.51 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 72.25 109.322 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 82' ' ' ASN . . . . . 0.711 ' N ' HD13 ' A' ' 81' ' ' LEU . 1.0 OUTLIER -107.12 148.09 29.24 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.486 1.116 . . . . 61.12 109.332 179.936 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 83' ' ' ILE . . . . . 0.711 HD13 ' HA ' ' A' ' 50' ' ' TYR . 38.6 mm -137.65 157.1 33.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.481 1.113 . . . . 73.13 109.258 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 32.7 ttt-85 -132.74 148.1 52.33 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.491 1.119 . . . . 75.03 110.28 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.834 HD12 ' CG2' ' A' ' 9' ' ' ILE . 12.9 mt -140.14 122.04 15.54 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.457 1.098 . . . . 64.2 109.297 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 86' ' ' TYR . . . . . 0.62 ' CE1' HG21 ' A' ' 45' ' ' ILE . 1.6 p90 . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 74.43 111.008 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo . . . . . 0 N--CA 1.453 -0.888 0 N-CA-C 111.02 -0.416 . . . . 65.13 111.02 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' LEU . . . . . 0.547 ' H ' HD12 ' A' ' 2' ' ' LEU . 0.7 OUTLIER -96.42 -51.87 4.19 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.495 1.122 . . . . 65.31 109.319 179.957 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 38.04 48.61 2.03 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.464 1.103 . . . . 44.44 110.97 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -133.38 152.55 51.93 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.53 0.782 . . . . 73.44 110.037 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.412 HG13 ' CE ' ' A' ' 22' ' ' LYS . 18.5 mt -130.3 144.84 36.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.52 1.137 . . . . 70.14 109.287 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.902 HD13 ' N ' ' A' ' 7' ' ' PHE . 3.2 tm? -100.63 148.6 24.66 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.466 1.104 . . . . 64.15 109.31 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 7' ' ' PHE . . . . . 0.902 ' N ' HD13 ' A' ' 6' ' ' LEU . 1.6 m-85 -124.82 115.3 20.46 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.505 1.128 . . . . 54.15 111.029 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 8' ' ' ARG . . . . . 0.469 ' HG2' ' CG2' ' A' ' 15' ' ' ILE . 10.3 ttp180 -94.13 81.2 4.07 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.471 1.107 . . . . 65.14 110.295 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.647 ' H ' HD12 ' A' ' 9' ' ' ILE . 4.6 mp -65.61 166.83 1.34 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.526 1.141 . . . . 74.14 109.302 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 10' ' ' SER . . . . . 0.506 ' N ' HG22 ' A' ' 9' ' ' ILE . 0.1 OUTLIER -164.81 145.6 7.65 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.527 1.142 . . . . 72.03 110.047 179.989 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 11' ' ' TYR . . . . . 0.467 ' C ' ' N ' ' A' ' 13' ' ' SER . 41.1 t80 -150.71 178.12 9.42 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.504 1.127 . . . . 72.42 110.964 -179.927 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 12' ' ' ASN . . . . . 0.409 ' C ' ' O ' ' A' ' 11' ' ' TYR . 88.4 m-20 -39.77 -29.22 0.06 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.511 1.132 . . . . 62.42 109.283 179.943 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 13' ' ' SER . . . . . 0.467 ' N ' ' C ' ' A' ' 11' ' ' TYR . 3.9 t -73.35 -95.67 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.441 1.088 . . . . 71.03 109.991 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 81.0 mm-40 -141.53 -171.58 3.34 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.445 1.091 . . . . 73.21 110.3 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.469 ' CG2' ' HG2' ' A' ' 8' ' ' ARG . 1.0 OUTLIER -103.91 122.31 56.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.472 1.107 . . . . 54.14 109.269 179.996 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 56.5 m-85 -116.21 175.85 5.36 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.466 1.104 . . . . 70.33 110.97 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 37.0 p -126.54 154.15 44.23 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.514 1.134 . . . . 74.43 110.419 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.82 HD23 ' HE2' ' A' ' 36' ' ' LYS . 1.3 tm? -156.09 123.97 5.63 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.467 1.104 . . . . 72.41 109.298 -179.952 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.656 HD13 ' N ' ' A' ' 20' ' ' VAL . 0.2 OUTLIER -78.02 121.51 24.33 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.554 1.159 . . . . 64.43 109.322 179.944 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.656 ' N ' HD13 ' A' ' 19' ' ' LEU . 13.4 p -125.62 115.2 42.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.453 1.095 . . . . 71.03 109.316 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.529 ' HB3' HG12 ' A' ' 23' ' ' VAL . 29.4 mm-40 -57.24 168.9 0.65 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.521 1.138 . . . . 74.34 110.28 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 22' ' ' LYS . . . . . 0.412 ' CE ' HG13 ' A' ' 5' ' ' ILE . 69.9 mttt -89.59 15.15 9.94 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.448 1.092 . . . . 72.34 109.267 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.529 HG12 ' HB3' ' A' ' 21' ' ' GLU . 0.2 OUTLIER -112.92 -37.19 2.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.521 1.138 . . . . 64.4 109.307 -179.981 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 24' ' ' TRP . . . . . 0.49 ' CD1' ' HB2' ' A' ' 21' ' ' GLU . 10.8 m0 -55.94 94.49 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 107.992 -1.114 . . . . 65.33 107.992 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 25' ' ' ASN . . . . . 0.435 ' OD1' ' N ' ' A' ' 25' ' ' ASN . 3.3 p-10 -53.8 176.05 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.478 1.111 . . . . 74.43 109.291 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 26' ' ' PHE . . . . . 0.41 ' CG ' ' N ' ' A' ' 27' ' ' ASP . 12.5 p90 -50.43 -34.13 23.47 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.531 1.144 . . . . 73.33 110.952 -179.947 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 27' ' ' ASP . . . . . 0.41 ' N ' ' CG ' ' A' ' 26' ' ' PHE . 33.6 t0 -64.35 -64.83 0.78 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.504 1.127 . . . . 71.11 109.299 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -55.61 -23.96 30.52 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.512 1.132 . . . . 75.41 109.253 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.584 HD12 ' CD1' ' A' ' 33' ' ' ILE . 4.4 tp -70.6 -56.27 6.89 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.535 1.147 . . . . 51.12 109.297 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.693 HD11 HG12 ' A' ' 48' ' ' ILE . 18.9 mm -60.7 -20.17 20.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.491 1.119 . . . . 74.33 109.352 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 8.2 mmt -92.86 -23.96 18.63 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.511 1.132 . . . . 60.42 111.004 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -71.8 -48.49 46.05 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.504 1.128 . . . . 64.03 109.315 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.584 ' CD1' HD12 ' A' ' 29' ' ' LEU . 4.1 mp -73.24 -42.21 58.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.516 1.135 . . . . 62.15 109.282 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 34' ' ' ASN . . . . . 0.433 ' ND2' ' O ' ' A' ' 30' ' ' ILE . 0.9 OUTLIER -53.71 -25.86 20.43 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.525 1.141 . . . . 73.24 109.291 -179.991 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 35' ' ' SER . . . . . 0.464 ' O ' ' CB ' ' A' ' 38' ' ' SER . 16.9 t -79.31 -47.03 16.57 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.45 1.094 . . . . 51.31 110.01 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 0.82 ' HE2' HD23 ' A' ' 18' ' ' LEU . 7.7 mptt -59.46 -38.52 80.98 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.496 1.122 . . . . 72.31 109.36 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.698 ' O ' HG22 ' A' ' 40' ' ' THR . 2.6 pt -80.38 -15.67 12.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.548 1.155 . . . . 73.5 109.287 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 38' ' ' SER . . . . . 0.464 ' CB ' ' O ' ' A' ' 35' ' ' SER . 8.7 t -40.87 -28.99 0.09 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.437 1.086 . . . . 61.13 109.99 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 39' ' ' ASN . . . . . 0.428 ' N ' ' C ' ' A' ' 37' ' ' ILE . 13.4 t-20 -40.57 -53.52 2.7 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.447 1.092 . . . . 31.01 109.298 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 40' ' ' THR . . . . . 0.698 HG22 ' O ' ' A' ' 37' ' ' ILE . 4.9 t -71.93 137.84 47.67 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.499 1.124 . . . . 60.13 110.373 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -101.64 18.51 20.13 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.466 1.104 . . . . 54.11 109.588 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.49 ' O ' ' CB ' ' A' ' 43' ' ' SER . 7.6 pt -81.94 -51.96 14.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.482 1.113 . . . . 72.55 109.289 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 43' ' ' SER . . . . . 0.49 ' CB ' ' O ' ' A' ' 42' ' ' ILE . 2.0 t 159.85 141.4 0.01 OUTLIER Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.467 1.104 . . . . 63.43 110.013 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 -162.22 0.14 Allowed 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.534 1.807 . . . . 75.15 111.029 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 45' ' ' ILE . . . . . 0.766 HG12 HD22 ' A' ' 85' ' ' LEU . 1.2 pp -146.03 113.71 1.26 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.468 1.105 . . . . 71.12 109.282 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 46' ' ' THR . . . . . 0.418 ' O ' HD12 ' A' ' 30' ' ' ILE . 3.0 p -75.96 -34.19 59.82 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.126 . . . . 71.03 110.35 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -95.83 120.82 36.76 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.474 1.109 . . . . 64.54 109.318 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.693 HG12 HD11 ' A' ' 30' ' ' ILE . 17.7 pt -116.47 151.71 18.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.546 1.154 . . . . 64.02 109.317 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 2.8 ttmp? -114.83 111.81 21.79 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.504 1.128 . . . . 54.32 109.289 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 50' ' ' TYR . . . . . 0.622 ' HA ' HD13 ' A' ' 83' ' ' ILE . 12.9 p90 -107.58 152.54 24.12 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.483 1.114 . . . . 73.54 110.959 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 34.5 tt0 -75.27 145.46 41.87 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.541 1.151 . . . . 65.52 110.297 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 27.8 p30 -108.41 -179.32 3.84 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.488 1.117 . . . . 74.04 109.334 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 53' ' ' GLU . . . . . 0.452 ' CA ' ' HG3' ' A' ' 72' ' ' MET . 1.8 pp20? -61.42 -35.36 77.33 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.127 . . . . 74.33 110.304 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 14.5 t0 -64.22 -15.92 60.96 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.502 1.126 . . . . 72.54 109.345 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 86.8 9.51 74.4 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.548 1.155 . . . . 65.35 111.017 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 9.7 m-20 -95.49 175.72 6.45 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.514 0.773 . . . . 64.33 109.277 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 57' ' ' PHE . . . . . 0.559 ' CD1' ' N ' ' A' ' 57' ' ' PHE . 0.6 OUTLIER -101.07 122.57 43.79 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.505 1.128 . . . . 72.41 111.046 179.971 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.527 HG23 ' CE1' ' A' ' 50' ' ' TYR . 2.0 m -125.43 153.62 33.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.542 1.152 . . . . 73.43 109.296 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 11.3 p -75.7 158.66 5.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.472 1.107 . . . . 43.42 109.315 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.712 HD12 ' N ' ' A' ' 61' ' ' GLY . 0.3 OUTLIER -150.05 114.67 5.26 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.555 1.159 . . . . 72.44 109.318 179.99 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 61' ' ' GLY . . . . . 0.712 ' N ' HD12 ' A' ' 60' ' ' LEU . . . -152.73 22.66 0.81 Allowed Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.458 1.099 . . . . 74.03 111.023 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 10.5 p -150.39 174.06 13.31 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.462 0.743 . . . . 55.25 109.969 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -74.34 -30.03 61.85 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.527 1.142 . . . . 74.3 109.316 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 64' ' ' GLU . . . . . 0.497 ' O ' ' CG2' ' A' ' 68' ' ' VAL . 34.4 mt-10 -69.02 -16.53 63.74 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.496 1.122 . . . . 74.5 110.304 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 21.9 m-20 -108.33 -17.59 13.96 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.121 . . . . 52.12 109.346 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 66' ' ' TRP . . . . . 0.536 ' CZ2' ' HE3' ' A' ' 70' ' ' LYS . 0.1 OUTLIER -90.62 -23.7 20.74 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.508 1.13 . . . . 75.21 108.031 179.956 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 7.8 t30 -93.71 -46.17 7.36 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.519 1.137 . . . . 64.5 109.304 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.497 ' CG2' ' O ' ' A' ' 64' ' ' GLU . 52.9 t -61.9 -27.14 41.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.496 1.122 . . . . 73.11 109.31 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 69' ' ' ALA . . . . . 0.426 ' HB2' ' CE2' ' A' ' 50' ' ' TYR . . . -72.11 -39.84 68.61 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.483 1.114 . . . . 73.45 109.283 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 70' ' ' LYS . . . . . 0.536 ' HE3' ' CZ2' ' A' ' 66' ' ' TRP . 37.0 mttm -63.19 -38.26 90.48 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.539 1.149 . . . . 73.3 109.275 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 72.8 mm-40 -56.74 -28.08 60.48 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.476 1.11 . . . . 73.24 110.329 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 72' ' ' MET . . . . . 0.452 ' HG3' ' CA ' ' A' ' 53' ' ' GLU . 1.0 OUTLIER -69.25 -42.15 75.99 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.514 1.134 . . . . 63.03 110.987 -179.964 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.693 HD13 ' HG3' ' A' ' 78' ' ' GLU . 0.4 OUTLIER -59.54 -49.38 78.01 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.495 1.122 . . . . 64.02 109.283 179.994 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -62.16 -15.45 46.18 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.496 1.123 . . . . 73.42 109.328 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 24.9 mm-40 -98.0 -26.48 14.62 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.496 1.122 . . . . 71.41 110.332 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 76' ' ' ASN . . . . . 0.442 ' C ' ' N ' ' A' ' 78' ' ' GLU . 3.5 m120 -94.44 13.74 22.88 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.49 1.119 . . . . 74.02 109.306 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 5.5 m120 40.47 30.01 0.07 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.503 1.127 . . . . 62.54 109.297 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 78' ' ' GLU . . . . . 0.693 ' HG3' HD13 ' A' ' 73' ' ' LEU . 15.4 pt-20 -118.69 165.31 14.14 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.466 1.104 . . . . 64.33 110.303 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 79' ' ' LYS . . . . . 0.408 ' NZ ' ' HB3' ' A' ' 79' ' ' LYS . 1.8 mtmp? -125.44 15.35 8.26 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.52 1.138 . . . . 61.44 109.292 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 80' ' ' PHE . . . . . 0.654 ' O ' HD11 ' A' ' 73' ' ' LEU . 6.1 p90 -120.14 152.53 37.5 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.521 1.138 . . . . 73.54 111.013 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.771 HD23 ' H ' ' A' ' 82' ' ' ASN . 0.6 OUTLIER -135.41 169.28 17.73 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.486 1.116 . . . . 62.22 109.317 -179.996 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 82' ' ' ASN . . . . . 0.771 ' H ' HD23 ' A' ' 81' ' ' LEU . 1.1 p-10 -140.44 137.22 33.77 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.455 1.097 . . . . 74.31 109.294 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 83' ' ' ILE . . . . . 0.622 HD13 ' HA ' ' A' ' 50' ' ' TYR . 8.1 mm -129.03 143.59 40.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.468 1.105 . . . . 75.55 109.337 179.943 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 38.7 ttm-85 -118.49 145.02 45.61 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.557 1.16 . . . . 62.34 110.325 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.766 HD22 HG12 ' A' ' 45' ' ' ILE . 37.1 mt -130.42 131.06 45.06 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.531 1.144 . . . . 73.13 109.276 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 2.5 t80 . . . . . 0 C--N 1.325 -0.493 0 O-C-N 124.509 1.13 . . . . 62.32 111.04 179.983 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 N--CA 1.453 -0.867 0 N-CA-C 111.006 -0.421 . . . . 75.33 111.006 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -135.19 145.59 47.86 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.503 1.127 . . . . 73.01 109.335 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 113.18 -17.94 21.53 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.451 1.094 . . . . 62.12 110.991 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' SER . . . . . 0.454 ' HB2' HD11 ' A' ' 19' ' ' LEU . 0.4 OUTLIER -134.26 168.92 17.99 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.506 0.768 . . . . 65.14 109.919 -179.92 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 18.1 mt -135.27 143.94 35.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.469 1.106 . . . . 74.42 109.318 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 5.1 tp -94.8 142.24 27.7 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.552 1.157 . . . . 74.11 109.327 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' PHE . . . . . 0.584 ' CE1' HG11 ' A' ' 20' ' ' VAL . 2.3 m-30 -118.49 92.43 3.81 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.566 1.166 . . . . 44.31 111.01 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 4.0 mtt180 -59.14 109.8 0.93 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.52 1.138 . . . . 64.24 110.322 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.773 HG23 HD22 ' A' ' 85' ' ' LEU . 19.9 mm -86.28 96.95 5.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.454 1.096 . . . . 65.33 109.278 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 38.0 m -96.99 117.27 30.78 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.541 1.151 . . . . 75.23 110.041 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' TYR . . . . . 0.474 ' CD1' ' O ' ' A' ' 85' ' ' LEU . 4.3 t80 -109.4 -168.29 1.31 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.474 1.109 . . . . 60.33 110.998 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 2.4 m-20 -44.95 -61.31 1.66 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.473 1.108 . . . . 71.3 109.301 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 3.1 m -145.23 19.41 1.57 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.499 1.124 . . . . 72.4 109.983 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' GLU . . . . . 0.432 ' CG ' ' HB3' ' A' ' 11' ' ' TYR . 4.9 pt-20 -130.47 131.07 44.98 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.55 1.156 . . . . 70.13 110.299 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.412 ' HA ' ' O ' ' A' ' 9' ' ' ILE . 5.4 mm -107.11 155.02 7.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.489 1.118 . . . . 61.11 109.264 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 16' ' ' PHE . . . . . 0.506 ' CB ' ' HB ' ' A' ' 9' ' ' ILE . 0.1 OUTLIER -141.21 -169.16 2.79 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.495 1.122 . . . . 74.25 110.982 179.956 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 2.0 p -149.8 126.47 11.0 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.468 1.105 . . . . 60.12 110.387 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.683 ' C ' HD23 ' A' ' 18' ' ' LEU . 4.5 tt -134.23 124.19 25.54 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.514 1.134 . . . . 72.23 109.303 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.52 HD13 ' N ' ' A' ' 20' ' ' VAL . 0.1 OUTLIER -87.04 120.26 28.12 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.524 1.14 . . . . 72.21 109.314 179.969 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.584 HG11 ' CE1' ' A' ' 7' ' ' PHE . 9.7 p -125.13 118.21 52.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.548 1.155 . . . . 60.52 109.25 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.545 ' HB2' ' CD1' ' A' ' 24' ' ' TRP . 15.3 mm-40 -65.71 168.66 7.38 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.458 1.099 . . . . 74.12 110.324 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 27.6 mttt -87.5 11.53 14.58 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.469 1.106 . . . . 74.3 109.345 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.527 HG12 ' HB3' ' A' ' 21' ' ' GLU . 0.2 OUTLIER -111.46 -30.74 2.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.495 1.122 . . . . 64.02 109.295 179.978 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 24' ' ' TRP . . . . . 0.545 ' CD1' ' HB2' ' A' ' 21' ' ' GLU . 23.4 m0 -57.41 111.84 1.22 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.538 1.149 . . . . 63.12 107.996 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 10.8 p-10 -72.08 -179.3 2.73 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.467 1.104 . . . . 75.12 109.255 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' PHE . . . . . 0.415 ' CG ' ' N ' ' A' ' 27' ' ' ASP . 51.7 p90 -51.89 -39.17 58.6 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.506 1.129 . . . . 71.42 111.009 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 27' ' ' ASP . . . . . 0.415 ' N ' ' CG ' ' A' ' 26' ' ' PHE . 2.0 t70 -60.6 -63.12 1.41 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.428 1.08 . . . . 74.35 109.316 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 14.5 m-20 -54.55 -29.83 52.13 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.529 1.143 . . . . 73.33 109.292 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.696 ' CD2' HD21 ' A' ' 60' ' ' LEU . 0.9 OUTLIER -61.86 -61.51 2.44 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.483 1.114 . . . . 71.53 109.344 -179.996 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.455 HD13 ' HA ' ' A' ' 30' ' ' ILE . 24.3 mm -51.46 -48.19 34.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.476 1.11 . . . . 63.0 109.319 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 12.7 mmm -62.7 -19.3 63.75 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.477 1.111 . . . . 63.45 110.998 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' ALA . . . . . 0.655 ' HB3' ' O ' ' A' ' 29' ' ' LEU . . . -69.49 -64.15 0.93 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.509 1.131 . . . . 55.2 109.311 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.763 HG23 HD21 ' A' ' 85' ' ' LEU . 4.1 mp -59.15 -36.94 65.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.463 1.102 . . . . 73.1 109.287 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 2.0 m120 -62.63 -14.81 47.49 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.517 1.135 . . . . 62.21 109.326 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 5.5 t -81.57 -39.24 24.88 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.526 1.141 . . . . 74.45 109.978 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -74.18 -40.94 62.2 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.503 1.127 . . . . 74.43 109.273 -179.941 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.473 HD12 HG13 ' A' ' 45' ' ' ILE . 0.3 OUTLIER -86.66 -1.56 7.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.496 1.122 . . . . 74.33 109.287 -179.978 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 32.4 t -40.09 -29.58 0.08 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.457 1.098 . . . . 73.1 109.978 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' ASN . . . . . 0.437 ' N ' ' C ' ' A' ' 37' ' ' ILE . 11.6 t30 -55.98 -51.08 69.0 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.454 1.096 . . . . 75.23 109.266 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 40' ' ' THR . . . . . 0.427 ' N ' ' O ' ' A' ' 37' ' ' ILE . 41.3 p -87.36 66.31 9.08 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.5 1.125 . . . . 74.11 110.4 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 15.0 p80 -77.63 -0.49 26.75 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.559 1.162 . . . . 72.1 109.565 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.599 ' H ' HD13 ' A' ' 42' ' ' ILE . 0.2 OUTLIER -68.41 -34.07 63.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.479 1.112 . . . . 73.03 109.276 179.999 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 1.5 m -169.14 84.31 0.65 Allowed Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.516 1.135 . . . . 75.34 110.042 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 -162.33 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.476 1.777 . . . . 72.23 110.986 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 45' ' ' ILE . . . . . 0.7 HD12 ' O ' ' A' ' 45' ' ' ILE . 1.4 pp -118.95 126.19 75.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.441 1.088 . . . . 63.13 109.3 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 9.8 p -89.86 -12.8 37.97 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.491 1.12 . . . . 50.24 110.4 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 1.4 ptmm? -139.85 122.55 16.38 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.496 1.122 . . . . 70.44 109.307 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.52 HD11 HD21 ' A' ' 29' ' ' LEU . 4.2 pt -95.81 155.08 3.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.492 1.12 . . . . 74.41 109.298 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 22.3 mttp -111.91 102.89 11.11 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.569 1.168 . . . . 74.23 109.323 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 50' ' ' TYR . . . . . 0.777 ' HB2' HD21 ' A' ' 81' ' ' LEU . 9.0 p90 -102.04 147.51 26.49 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.518 1.136 . . . . 75.55 110.966 -179.936 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 51' ' ' GLN . . . . . 0.452 ' O ' ' CD2' ' A' ' 50' ' ' TYR . 58.1 tt0 -70.66 159.07 35.11 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.467 1.104 . . . . 64.12 110.263 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 16.5 p30 -123.12 -174.85 3.04 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.502 1.126 . . . . 65.55 109.3 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 53' ' ' GLU . . . . . 0.458 ' HB3' ' CG ' ' A' ' 72' ' ' MET . 7.7 pt-20 -68.06 -32.92 73.59 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.47 1.106 . . . . 74.53 110.283 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 28.0 t0 -63.95 -16.47 61.6 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.492 1.12 . . . . 74.33 109.327 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 88.57 6.77 72.95 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.491 1.119 . . . . 71.01 111.009 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -97.95 179.15 4.88 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.5 0.765 . . . . 73.14 109.251 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 57' ' ' PHE . . . . . 0.53 ' CD1' ' O ' ' A' ' 57' ' ' PHE . 25.2 p90 -103.21 131.22 50.41 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.559 1.162 . . . . 73.12 111.021 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.507 HG23 ' CE1' ' A' ' 50' ' ' TYR . 0.7 OUTLIER -129.72 150.61 34.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.488 1.117 . . . . 75.25 109.294 -179.965 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.4 HG12 ' H ' ' A' ' 59' ' ' VAL . 3.3 p -78.33 156.85 5.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.504 1.128 . . . . 64.42 109.312 179.944 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.696 HD12 ' N ' ' A' ' 61' ' ' GLY . 0.4 OUTLIER -148.28 115.0 6.02 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.486 1.116 . . . . 60.34 109.279 -179.997 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 61' ' ' GLY . . . . . 0.696 ' N ' HD12 ' A' ' 60' ' ' LEU . . . -154.13 26.92 0.71 Allowed Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.486 1.116 . . . . 55.32 110.996 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 3.3 m -156.76 157.99 36.06 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.547 0.793 . . . . 70.42 110.0 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 6.1 t70 -63.09 -18.23 63.17 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.562 1.164 . . . . 64.12 109.284 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 64' ' ' GLU . . . . . 0.474 ' O ' ' CG2' ' A' ' 68' ' ' VAL . 4.5 tt0 -79.33 -17.32 54.78 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.473 1.108 . . . . 74.42 110.279 -179.952 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 65' ' ' ASP . . . . . 0.407 ' O ' ' HB2' ' A' ' 69' ' ' ALA . 3.1 m-20 -107.88 -15.94 14.42 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.487 1.117 . . . . 74.24 109.306 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 66' ' ' TRP . . . . . 0.606 ' HZ2' ' HZ1' ' A' ' 70' ' ' LYS . 0.3 OUTLIER -92.37 -24.17 18.98 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.517 1.136 . . . . 71.52 107.987 179.972 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 7.7 t30 -93.26 -50.95 5.23 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.508 1.13 . . . . 64.33 109.276 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.474 ' CG2' ' O ' ' A' ' 64' ' ' GLU . 72.4 t -59.07 -26.93 34.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.495 1.122 . . . . 30.32 109.283 -179.95 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 69' ' ' ALA . . . . . 0.414 ' O ' HD23 ' A' ' 73' ' ' LEU . . . -76.78 -48.87 17.32 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.485 1.115 . . . . 53.14 109.32 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 70' ' ' LYS . . . . . 0.606 ' HZ1' ' HZ2' ' A' ' 66' ' ' TRP . 17.6 mtmt -55.76 -44.77 77.94 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.455 1.097 . . . . 73.35 109.304 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 56.4 mm-40 -58.82 -15.89 14.54 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.499 1.124 . . . . 54.42 110.32 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 72' ' ' MET . . . . . 0.458 ' CG ' ' HB3' ' A' ' 53' ' ' GLU . 5.8 tpt -86.14 -22.29 27.12 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.555 1.16 . . . . 63.52 111.031 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.709 HD13 ' CG ' ' A' ' 78' ' ' GLU . 0.6 OUTLIER -63.0 -60.94 2.77 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.452 1.095 . . . . 65.42 109.298 179.994 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -53.22 -27.71 23.34 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.52 1.138 . . . . 63.44 109.296 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 75' ' ' GLU . . . . . 0.42 ' HB2' ' CE ' ' A' ' 72' ' ' MET . 5.6 mm-40 -85.46 -25.21 27.06 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.518 1.136 . . . . 72.33 110.303 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 76' ' ' ASN . . . . . 0.437 ' N ' ' O ' ' A' ' 72' ' ' MET . 29.3 m-20 -85.77 -12.34 51.26 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.551 1.157 . . . . 71.35 109.294 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 68.5 m-80 61.04 34.6 19.18 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.573 1.17 . . . . 73.3 109.305 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 78' ' ' GLU . . . . . 0.709 ' CG ' HD13 ' A' ' 73' ' ' LEU . 14.1 pt-20 -116.87 165.25 13.54 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.535 1.147 . . . . 74.23 110.333 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 36.8 mtmt -121.12 16.63 11.58 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.489 1.118 . . . . 73.12 109.3 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 80' ' ' PHE . . . . . 0.566 ' O ' HD11 ' A' ' 73' ' ' LEU . 25.4 p90 -144.5 -174.89 4.44 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.493 1.121 . . . . 74.41 110.993 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.854 HD23 ' N ' ' A' ' 82' ' ' ASN . 5.6 tt -143.98 166.58 24.57 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.512 1.133 . . . . 74.5 109.27 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 82' ' ' ASN . . . . . 0.854 ' N ' HD23 ' A' ' 81' ' ' LEU . 1.0 OUTLIER -123.13 113.62 19.23 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.489 1.118 . . . . 72.42 109.29 -179.996 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 83' ' ' ILE . . . . . 0.593 HD11 HD22 ' A' ' 81' ' ' LEU . 42.5 mm -103.03 158.6 4.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.488 1.117 . . . . 74.2 109.331 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 84' ' ' ARG . . . . . 0.694 ' O ' HD12 ' A' ' 85' ' ' LEU . 11.4 tpp85 -133.26 127.2 33.15 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.5 1.125 . . . . 74.03 110.317 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.773 HD22 HG23 ' A' ' 9' ' ' ILE . 6.7 mp -123.36 110.65 15.42 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.514 1.134 . . . . 73.02 109.302 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 3.9 m-30 . . . . . 0 C--N 1.324 -0.511 0 O-C-N 124.514 1.134 . . . . 74.31 111.028 -179.96 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 N--CA 1.453 -0.876 0 N-CA-C 111.016 -0.417 . . . . 70.15 111.016 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 4.3 mp -85.37 160.27 19.81 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.478 1.111 . . . . 70.21 109.305 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' GLY . . . . . 0.49 ' H ' ' NZ ' ' A' ' 22' ' ' LYS . . . 87.65 -17.95 41.62 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.542 1.151 . . . . 71.44 111.006 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 4' ' ' SER . . . . . 0.525 ' HB2' HD11 ' A' ' 19' ' ' LEU . 0.7 OUTLIER -136.79 155.56 49.66 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.513 0.772 . . . . 64.41 109.995 179.987 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.669 ' CD1' HD12 ' A' ' 73' ' ' LEU . 20.7 mt -138.36 150.07 24.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.54 1.15 . . . . 74.32 109.25 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.664 HD21 ' HB ' ' A' ' 17' ' ' THR . 3.4 tp -103.29 140.46 37.37 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.502 1.126 . . . . 73.04 109.288 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 7' ' ' PHE . . . . . 0.591 ' CG ' HG11 ' A' ' 20' ' ' VAL . 2.4 m-30 -118.41 124.07 46.79 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.489 1.118 . . . . 75.32 110.991 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 42.2 mtp180 -94.5 91.72 6.76 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.481 1.113 . . . . 74.41 110.301 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.452 ' N ' ' O ' ' A' ' 16' ' ' PHE . 5.2 mp -76.99 104.09 4.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.509 1.131 . . . . 63.21 109.35 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 19.3 t -104.67 132.72 50.58 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.525 1.141 . . . . 74.33 109.978 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' TYR . . . . . 0.542 ' CG ' ' N ' ' A' ' 12' ' ' ASN . 59.4 t80 -142.37 173.57 11.41 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.508 1.13 . . . . 74.23 110.993 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 12' ' ' ASN . . . . . 0.542 ' N ' ' CG ' ' A' ' 11' ' ' TYR . 22.6 t-20 -39.78 -28.81 0.05 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.442 1.089 . . . . 72.12 109.309 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 13' ' ' SER . . . . . 0.471 ' N ' ' C ' ' A' ' 11' ' ' TYR . 4.6 m -74.96 -95.42 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.568 1.167 . . . . 73.33 110.028 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 62.4 mt-10 -141.93 -171.62 3.39 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.458 1.099 . . . . 73.11 110.269 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 1.2 mt -104.12 123.23 57.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.506 1.129 . . . . 72.31 109.335 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' PHE . . . . . 0.452 ' O ' ' N ' ' A' ' 9' ' ' ILE . 58.6 m-85 -120.88 148.92 43.38 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.518 1.136 . . . . 74.41 111.017 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.664 ' HB ' HD21 ' A' ' 6' ' ' LEU . 35.4 p -96.24 153.08 18.0 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.498 1.124 . . . . 73.55 110.392 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.578 HD23 ' HE2' ' A' ' 36' ' ' LYS . 2.9 tm? -152.01 106.75 3.23 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.524 1.14 . . . . 64.25 109.268 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.525 HD11 ' HB2' ' A' ' 4' ' ' SER . 0.4 OUTLIER -67.64 97.98 0.66 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.512 1.133 . . . . 54.25 109.33 179.947 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.591 HG11 ' CG ' ' A' ' 7' ' ' PHE . 2.6 p -102.62 109.34 26.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.45 1.094 . . . . 65.23 109.318 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.586 ' HB3' HG12 ' A' ' 23' ' ' VAL . 9.9 mm-40 -54.55 167.83 0.31 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.541 1.151 . . . . 54.24 110.273 -179.95 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 22' ' ' LYS . . . . . 0.49 ' NZ ' ' H ' ' A' ' 3' ' ' GLY . 78.6 mttt -88.79 12.49 14.9 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.475 1.109 . . . . 55.22 109.313 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.586 HG12 ' HB3' ' A' ' 21' ' ' GLU . 0.4 OUTLIER -110.34 -26.2 3.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.509 1.131 . . . . 74.31 109.334 179.994 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 24' ' ' TRP . . . . . 0.524 ' CE3' HG23 ' A' ' 20' ' ' VAL . 28.2 m0 -60.78 91.84 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 107.952 -1.129 . . . . 74.22 107.952 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 25' ' ' ASN . . . . . 0.414 ' OD1' ' N ' ' A' ' 25' ' ' ASN . 5.4 p-10 -51.9 178.84 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.497 1.123 . . . . 71.41 109.31 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 26' ' ' PHE . . . . . 0.592 ' CZ ' ' O ' ' A' ' 61' ' ' GLY . 0.7 OUTLIER -52.52 -34.68 50.89 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.529 1.143 . . . . 75.11 111.023 -179.998 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 11.3 t0 -69.64 -64.19 0.93 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.498 1.124 . . . . 71.23 109.336 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 60.7 m-20 -49.12 -31.72 8.62 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.503 1.127 . . . . 74.25 109.336 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.74 HD21 HD21 ' A' ' 60' ' ' LEU . 2.1 tp -62.72 -60.76 3.05 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.536 1.148 . . . . 74.31 109.29 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.444 HD13 ' HA ' ' A' ' 30' ' ' ILE . 25.3 mm -54.87 -32.24 26.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.495 1.122 . . . . 75.15 109.314 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 19.4 mmm -79.54 -22.31 44.03 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.439 1.087 . . . . 73.44 110.961 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' ALA . . . . . 0.496 ' HB1' HD11 ' A' ' 18' ' ' LEU . . . -68.24 -55.44 12.19 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.449 1.093 . . . . 41.13 109.253 -179.95 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.46 ' N ' HD12 ' A' ' 33' ' ' ILE . 3.8 mp -67.05 -43.18 89.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.473 1.108 . . . . 72.15 109.287 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 1.4 m-80 -57.09 -18.57 15.09 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.498 1.124 . . . . 75.12 109.325 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 5.0 t -80.24 -43.04 22.1 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.481 1.113 . . . . 72.12 109.966 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 0.578 ' HE2' HD23 ' A' ' 18' ' ' LEU . 5.8 mptt -69.52 -44.91 70.06 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.515 1.135 . . . . 71.25 109.278 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.511 HD12 HG13 ' A' ' 45' ' ' ILE . 0.6 OUTLIER -78.05 -0.57 3.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.522 1.139 . . . . 70.31 109.337 179.981 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 38' ' ' SER . . . . . 0.429 ' C ' ' N ' ' A' ' 40' ' ' THR . 19.9 t -60.9 -14.7 23.96 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.486 1.116 . . . . 74.13 109.951 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 15.7 t-20 -40.43 -30.13 0.1 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.467 1.104 . . . . 75.41 109.307 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' THR . . . . . 0.781 ' O ' HG23 ' A' ' 42' ' ' ILE . 3.5 t -107.02 -46.03 4.01 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.502 1.126 . . . . 61.34 110.391 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 41' ' ' HIS . . . . . 0.485 ' CG ' ' O ' ' A' ' 41' ' ' HIS . 10.9 t-80 52.5 34.53 15.61 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.556 1.16 . . . . 63.15 109.609 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.781 HG23 ' O ' ' A' ' 40' ' ' THR . 1.5 pp -116.64 -39.07 2.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.468 1.105 . . . . 71.32 109.332 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 43' ' ' SER . . . . . 0.699 ' OG ' HD12 ' A' ' 42' ' ' ILE . 69.8 m -149.54 83.66 6.34 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.466 1.104 . . . . 75.41 110.03 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 -162.23 0.14 Allowed 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.522 1.801 . . . . 75.24 111.04 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 45' ' ' ILE . . . . . 0.651 HD12 ' O ' ' A' ' 45' ' ' ILE . 1.3 pp -135.21 136.58 51.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.495 1.122 . . . . 61.23 109.262 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 57.0 p -104.86 -20.27 13.63 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.45 1.094 . . . . 74.34 110.357 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 8.1 mtmm -112.85 124.73 53.27 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.472 1.107 . . . . 72.04 109.31 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.667 HG22 HD21 ' A' ' 85' ' ' LEU . 15.0 pt -123.32 130.59 74.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.484 1.115 . . . . 74.2 109.295 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 16.5 ttmt -97.17 103.72 15.68 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.491 1.12 . . . . 72.45 109.332 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 50' ' ' TYR . . . . . 0.771 ' HB2' HD21 ' A' ' 81' ' ' LEU . 9.4 p90 -97.39 147.71 23.92 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.492 1.12 . . . . 70.25 110.988 -179.954 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 40.7 tt0 -76.2 158.48 31.62 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.443 1.09 . . . . 71.12 110.249 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 8.0 t0 -122.71 -174.04 2.83 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.473 1.108 . . . . 65.11 109.284 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 53' ' ' GLU . . . . . 0.484 ' CB ' ' OD1' ' A' ' 76' ' ' ASN . 1.8 pp20? -69.87 -37.95 76.24 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.506 1.129 . . . . 75.35 110.294 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 33.3 t70 -58.64 -17.8 25.24 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.475 1.11 . . . . 74.31 109.297 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 89.59 5.07 72.35 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.491 1.119 . . . . 72.33 110.997 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 4.4 t70 -101.31 148.03 25.62 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.511 0.771 . . . . 75.22 109.315 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 57' ' ' PHE . . . . . 0.433 ' CD1' ' O ' ' A' ' 57' ' ' PHE . 10.2 p90 -76.22 144.73 40.23 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.499 1.124 . . . . 75.55 110.995 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.453 HG23 ' O ' ' A' ' 50' ' ' TYR . 0.1 OUTLIER -141.36 146.94 22.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.471 1.107 . . . . 65.51 109.342 179.957 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 9.2 p -72.87 154.32 7.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.53 1.144 . . . . 73.04 109.28 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.74 HD21 HD21 ' A' ' 29' ' ' LEU . 2.5 tp -143.25 118.48 10.17 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.499 1.125 . . . . 51.54 109.326 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 61' ' ' GLY . . . . . 0.592 ' O ' ' CZ ' ' A' ' 26' ' ' PHE . . . -158.05 27.59 0.45 Allowed Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.535 1.147 . . . . 71.25 110.992 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -159.63 152.28 21.43 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.558 0.799 . . . . 74.04 110.027 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 22.5 t70 -66.26 -21.97 66.3 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.488 1.118 . . . . 71.42 109.326 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 64' ' ' GLU . . . . . 0.483 ' OE1' HG23 ' A' ' 68' ' ' VAL . 3.2 tp10 -74.75 -14.83 60.76 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.545 1.153 . . . . 64.12 110.34 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 9.4 t0 -109.72 -17.22 13.74 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.508 1.13 . . . . 65.32 109.294 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 66' ' ' TRP . . . . . 0.596 ' O ' ' CE3' ' A' ' 66' ' ' TRP . 3.5 t-105 -92.53 -23.7 19.0 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.541 1.15 . . . . 75.51 107.996 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 7.7 t30 -93.91 -35.29 12.74 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.49 1.119 . . . . 72.31 109.268 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.483 HG23 ' OE1' ' A' ' 64' ' ' GLU . 29.2 t -72.89 -20.91 19.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.512 1.133 . . . . 73.41 109.29 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 69' ' ' ALA . . . . . 0.433 ' O ' ' CB ' ' A' ' 72' ' ' MET . . . -83.3 -47.43 11.51 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.47 1.107 . . . . 61.32 109.291 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 70' ' ' LYS . . . . . 0.558 ' HG3' ' CZ3' ' A' ' 66' ' ' TRP . 37.1 mtmt -48.9 -56.46 8.75 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.504 1.127 . . . . 73.02 109.332 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 11.1 mt-10 -45.51 -26.78 0.63 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.487 1.117 . . . . 62.51 110.303 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 72' ' ' MET . . . . . 0.433 ' CB ' ' O ' ' A' ' 69' ' ' ALA . 17.0 tpp -72.16 -39.43 68.71 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.465 1.103 . . . . 63.3 111.018 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.669 HD12 ' CD1' ' A' ' 5' ' ' ILE . 6.8 mt -45.47 -50.67 12.49 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.557 1.161 . . . . 71.22 109.304 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -54.75 -39.99 68.88 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.518 1.136 . . . . 51.25 109.282 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 65.9 mt-10 -77.17 -18.91 57.45 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.527 1.142 . . . . 75.11 110.299 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 76' ' ' ASN . . . . . 0.497 ' CB ' ' OE1' ' A' ' 78' ' ' GLU . 63.0 m-20 -91.61 -13.33 32.11 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.475 1.109 . . . . 73.33 109.261 -179.949 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 3.4 m120 60.51 32.67 20.54 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.526 1.141 . . . . 75.15 109.275 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 78' ' ' GLU . . . . . 0.497 ' OE1' ' CB ' ' A' ' 76' ' ' ASN . 10.2 pt-20 -114.42 162.75 16.26 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.498 1.124 . . . . 71.51 110.316 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -121.78 24.55 9.64 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.497 1.123 . . . . 72.23 109.344 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 11.4 p90 -153.5 -177.33 6.28 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.482 1.114 . . . . 62.02 111.003 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.868 HD23 ' N ' ' A' ' 82' ' ' ASN . 10.1 tt -142.02 167.87 21.1 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.492 1.12 . . . . 73.24 109.279 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 82' ' ' ASN . . . . . 0.868 ' N ' HD23 ' A' ' 81' ' ' LEU . 0.9 OUTLIER -123.24 112.89 18.2 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.537 1.148 . . . . 72.44 109.304 179.978 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 83' ' ' ILE . . . . . 0.461 HG13 ' CD2' ' A' ' 7' ' ' PHE . 14.5 mm -99.77 158.35 3.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.462 1.101 . . . . 60.25 109.293 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 3.2 tpp85 -141.72 148.04 38.39 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.471 1.107 . . . . 70.14 110.336 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.667 HD21 HG22 ' A' ' 48' ' ' ILE . 33.2 mt -136.85 125.35 23.56 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.49 1.119 . . . . 71.44 109.282 -179.942 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 3.3 m-85 . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.558 1.161 . . . . 70.41 111.001 179.99 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 N--CA 1.453 -0.878 0 N-CA-C 111.013 -0.418 . . . . 70.44 111.013 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' LEU . . . . . 0.441 HD23 ' HA ' ' A' ' 2' ' ' LEU . 13.9 mt -108.89 -175.02 2.66 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.466 1.104 . . . . 71.15 109.308 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 59.8 73.97 0.42 Allowed Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.459 1.1 . . . . 53.54 110.946 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' SER . . . . . 0.559 ' CB ' HD11 ' A' ' 19' ' ' LEU . 1.0 OUTLIER -148.15 163.19 37.72 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.539 0.787 . . . . 72.44 109.977 179.976 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.469 ' CD1' ' HE2' ' A' ' 22' ' ' LYS . 16.1 mt -121.55 147.35 25.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.5 1.125 . . . . 74.3 109.294 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 3.8 tp -90.52 139.99 30.17 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.488 1.118 . . . . 65.11 109.284 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' PHE . . . . . 0.566 ' CE2' HD13 ' A' ' 29' ' ' LEU . 1.8 m-85 -129.39 111.02 12.39 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.533 1.146 . . . . 74.52 110.964 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 8' ' ' ARG . . . . . 0.965 ' CD ' HG22 ' A' ' 17' ' ' THR . 46.3 mmm-85 -88.19 119.09 28.25 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.512 1.133 . . . . 74.31 110.316 179.944 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.605 ' CG2' HD22 ' A' ' 85' ' ' LEU . 4.3 mp -95.93 80.64 1.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.45 1.094 . . . . 71.45 109.298 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 10' ' ' SER . . . . . 0.948 ' OG ' HG23 ' A' ' 15' ' ' ILE . 19.9 m -90.84 125.05 35.62 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.495 1.122 . . . . 73.02 109.971 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 11' ' ' TYR . . . . . 0.514 ' CG ' ' N ' ' A' ' 12' ' ' ASN . 79.4 t80 -131.16 175.46 9.09 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.537 1.148 . . . . 75.04 110.981 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 12' ' ' ASN . . . . . 0.514 ' N ' ' CG ' ' A' ' 11' ' ' TYR . 37.6 m-20 -38.81 -29.54 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.498 1.124 . . . . 71.12 109.284 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 13' ' ' SER . . . . . 0.466 ' N ' ' C ' ' A' ' 11' ' ' TYR . 9.6 t -70.47 -92.89 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.512 1.133 . . . . 72.2 109.99 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 14' ' ' GLU . . . . . 0.523 ' C ' HD12 ' A' ' 15' ' ' ILE . 12.1 mt-10 -140.85 -154.49 0.52 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.504 1.128 . . . . 75.02 110.333 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.948 HG23 ' OG ' ' A' ' 10' ' ' SER . 1.7 mp -115.04 138.1 46.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.497 1.123 . . . . 63.41 109.339 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 16' ' ' PHE . . . . . 0.423 ' O ' ' HA ' ' A' ' 8' ' ' ARG . 7.8 t80 -128.68 177.71 6.85 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.482 1.114 . . . . 73.4 110.993 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.965 HG22 ' CD ' ' A' ' 8' ' ' ARG . 19.7 p -131.63 146.16 52.06 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.45 1.094 . . . . 64.43 110.375 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.549 ' C ' HD23 ' A' ' 18' ' ' LEU . 7.1 tt -150.26 124.58 9.52 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.539 1.149 . . . . 64.34 109.295 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.559 HD11 ' CB ' ' A' ' 4' ' ' SER . 0.2 OUTLIER -82.94 114.74 21.43 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.502 1.126 . . . . 73.04 109.313 -179.976 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.81 HG23 ' HE3' ' A' ' 24' ' ' TRP . 8.3 p -122.03 122.58 67.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.513 1.133 . . . . 62.34 109.32 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.565 ' HB2' ' CD1' ' A' ' 24' ' ' TRP . 23.5 mt-10 -63.41 168.99 4.03 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.463 1.102 . . . . 75.45 110.269 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 22' ' ' LYS . . . . . 0.469 ' HE2' ' CD1' ' A' ' 5' ' ' ILE . 1.0 OUTLIER -87.94 10.2 19.64 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.503 1.127 . . . . 61.41 109.288 -179.998 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.435 HG12 ' HB3' ' A' ' 21' ' ' GLU . 0.2 OUTLIER -111.19 -18.49 7.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.501 1.125 . . . . 63.21 109.307 179.984 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 24' ' ' TRP . . . . . 0.81 ' HE3' HG23 ' A' ' 20' ' ' VAL . 22.5 m0 -72.34 86.63 1.12 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.502 1.127 . . . . 62.03 108.016 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 25' ' ' ASN . . . . . 0.518 ' HA ' ' CE2' ' A' ' 66' ' ' TRP . 8.3 p-10 -52.71 175.89 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.522 1.139 . . . . 73.33 109.295 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 8.3 p90 -47.35 -30.75 3.41 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.453 1.096 . . . . 70.42 111.026 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 19.2 t70 -65.49 -69.29 0.3 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.516 1.135 . . . . 62.42 109.348 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' ASP . . . . . 0.45 ' O ' ' N ' ' A' ' 32' ' ' ALA . 24.5 m-20 -51.22 -30.28 16.88 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.508 1.13 . . . . 73.32 109.299 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.593 HD21 HD11 ' A' ' 48' ' ' ILE . 1.5 tp -61.19 -57.55 11.99 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.494 1.121 . . . . 74.33 109.283 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.432 HD13 ' HA ' ' A' ' 30' ' ' ILE . 17.8 mm -57.81 -29.69 35.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.467 1.105 . . . . 62.03 109.29 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 7.1 mmt -82.89 -21.98 34.1 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.505 1.128 . . . . 70.1 111.013 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' ALA . . . . . 0.536 ' O ' HD11 ' A' ' 18' ' ' LEU . . . -68.99 -49.99 52.9 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.51 1.131 . . . . 42.51 109.343 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.653 ' O ' HG23 ' A' ' 37' ' ' ILE . 3.1 mp -70.23 -40.43 78.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.475 1.109 . . . . 71.51 109.308 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 2.4 m120 -64.56 -15.45 61.03 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.478 1.111 . . . . 74.11 109.305 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 1.5 t -85.52 -45.87 11.38 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.534 1.147 . . . . 75.2 109.994 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 0.438 ' HG2' HD12 ' A' ' 18' ' ' LEU . 0.3 OUTLIER -67.17 -51.53 52.61 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.513 1.133 . . . . 71.34 109.334 179.969 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.653 HG23 ' O ' ' A' ' 33' ' ' ILE . 1.8 pt -63.19 -16.01 16.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.482 1.114 . . . . 64.51 109.269 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 38' ' ' SER . . . . . 0.4 ' O ' ' C ' ' A' ' 39' ' ' ASN . 2.3 t -50.77 -25.27 4.2 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.536 1.147 . . . . 62.34 109.976 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 39' ' ' ASN . . . . . 0.4 ' C ' ' O ' ' A' ' 38' ' ' SER . 7.4 t30 -40.55 -32.96 0.23 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.497 1.123 . . . . 64.3 109.265 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 40' ' ' THR . . . . . 0.773 ' O ' HG23 ' A' ' 42' ' ' ILE . 11.4 p -91.18 -42.98 10.13 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.502 1.126 . . . . 72.24 110.365 -179.942 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 41' ' ' HIS . . . . . 0.476 ' CG ' ' O ' ' A' ' 40' ' ' THR . 28.3 p80 47.35 50.67 14.34 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.47 1.106 . . . . 75.44 109.596 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.773 HG23 ' O ' ' A' ' 40' ' ' THR . 6.6 pt -127.05 -46.43 1.26 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.533 1.145 . . . . 72.15 109.288 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 1.7 t -161.85 93.84 1.33 Allowed Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.482 1.114 . . . . 74.51 110.013 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -162.23 0.14 Allowed 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.512 1.796 . . . . 73.44 111.04 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 45' ' ' ILE . . . . . 0.474 HD11 HG22 ' A' ' 33' ' ' ILE . 1.1 pp -129.93 165.03 31.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 74.44 109.307 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 73.9 p -130.83 5.96 4.64 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.49 1.119 . . . . 71.43 110.444 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 31.0 mtpt -136.38 141.11 43.66 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.54 1.15 . . . . 74.54 109.256 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.998 HG22 HD11 ' A' ' 85' ' ' LEU . 19.0 pt -138.67 126.55 28.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.511 1.132 . . . . 72.43 109.271 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 1.3 ttmp? -98.94 106.72 19.01 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.482 1.114 . . . . 74.5 109.264 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 50' ' ' TYR . . . . . 0.482 ' O ' HG23 ' A' ' 58' ' ' VAL . 8.2 p90 -99.46 149.74 22.9 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.542 1.151 . . . . 70.41 111.011 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 51' ' ' GLN . . . . . 0.456 ' O ' ' CD2' ' A' ' 50' ' ' TYR . 33.6 tt0 -62.74 144.49 56.36 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.544 1.153 . . . . 64.23 110.282 -179.933 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 52' ' ' ASP . . . . . 0.451 ' HB2' HG22 ' A' ' 58' ' ' VAL . 12.5 t0 -105.15 177.13 4.94 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.478 1.111 . . . . 72.22 109.274 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 2.2 pm0 -63.21 -27.12 69.14 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.424 1.078 . . . . 71.43 110.29 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 4.0 t70 -89.34 14.73 10.46 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.532 1.145 . . . . 54.32 109.316 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 59.98 18.64 48.23 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.448 1.093 . . . . 70.54 111.011 -179.934 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -102.02 129.04 48.22 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.504 0.767 . . . . 74.42 109.293 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 57' ' ' PHE . . . . . 0.455 ' CD1' ' O ' ' A' ' 57' ' ' PHE . 12.7 p90 -57.61 120.45 8.36 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.522 1.139 . . . . 65.34 110.976 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.482 HG23 ' O ' ' A' ' 50' ' ' TYR . 0.2 OUTLIER -122.19 145.82 28.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.536 1.148 . . . . 73.24 109.3 179.957 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 11.5 t -72.74 154.71 7.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.537 1.148 . . . . 63.21 109.28 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.88 HD12 ' N ' ' A' ' 61' ' ' GLY . 0.3 OUTLIER -150.47 120.51 7.19 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.471 1.107 . . . . 71.14 109.309 179.993 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 61' ' ' GLY . . . . . 0.88 ' N ' HD12 ' A' ' 60' ' ' LEU . . . -159.75 26.72 0.34 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.522 1.139 . . . . 64.52 110.998 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 5.3 m -151.24 171.15 17.87 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.453 0.737 . . . . 64.5 110.001 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 8.8 t70 -70.84 -25.67 62.93 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.497 1.123 . . . . 75.41 109.329 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 64' ' ' GLU . . . . . 0.629 ' O ' HG23 ' A' ' 68' ' ' VAL . 16.4 pt-20 -70.72 -36.72 73.35 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.505 1.128 . . . . 70.04 110.321 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 65' ' ' ASP . . . . . 0.565 ' O ' ' HB2' ' A' ' 69' ' ' ALA . 4.1 m-20 -86.81 -9.53 55.6 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.456 1.098 . . . . 74.01 109.323 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 66' ' ' TRP . . . . . 0.576 ' CZ3' ' OD1' ' A' ' 67' ' ' ASN . 8.9 t90 -96.84 -22.58 16.83 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.499 1.125 . . . . 75.43 108.008 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 67' ' ' ASN . . . . . 0.576 ' OD1' ' CZ3' ' A' ' 66' ' ' TRP . 26.3 m-20 -98.32 -44.22 6.63 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.46 1.1 . . . . 73.41 109.308 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.629 HG23 ' O ' ' A' ' 64' ' ' GLU . 51.8 t -72.45 -6.07 7.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.499 1.124 . . . . 53.52 109.328 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 69' ' ' ALA . . . . . 0.565 ' HB2' ' O ' ' A' ' 65' ' ' ASP . . . -96.41 -24.71 16.01 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.491 1.12 . . . . 52.24 109.241 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 70' ' ' LYS . . . . . 0.562 ' HE3' ' CZ2' ' A' ' 66' ' ' TRP . 32.4 mttm -75.32 -36.21 61.11 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.496 1.123 . . . . 73.23 109.305 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -56.33 -31.66 63.94 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.506 1.129 . . . . 54.05 110.3 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 72' ' ' MET . . . . . 0.448 ' O ' ' N ' ' A' ' 76' ' ' ASN . 2.5 ttt -64.77 -46.98 79.85 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.555 1.159 . . . . 73.34 110.981 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 6.3 mt -49.29 -45.13 44.75 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.534 1.146 . . . . 65.33 109.256 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -65.71 -34.29 77.85 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.456 1.097 . . . . 72.02 109.316 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 -78.63 -18.82 53.91 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.527 1.142 . . . . 73.1 110.307 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 76' ' ' ASN . . . . . 0.448 ' N ' ' O ' ' A' ' 72' ' ' MET . 3.1 m120 -102.48 15.22 29.86 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.563 1.165 . . . . 65.12 109.319 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 49.7 m-80 40.96 29.61 0.08 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.503 1.127 . . . . 60.44 109.285 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 78' ' ' GLU . . . . . 0.589 ' OE1' ' CE2' ' A' ' 80' ' ' PHE . 13.5 pt-20 -117.79 161.48 19.65 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.529 1.143 . . . . 73.01 110.313 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 7.8 mtmp? -124.14 25.35 7.87 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.461 1.101 . . . . 72.13 109.313 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 80' ' ' PHE . . . . . 0.589 ' CE2' ' OE1' ' A' ' 78' ' ' GLU . 8.2 p90 -133.17 166.72 21.8 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.531 1.144 . . . . 73.43 110.98 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.847 HD23 ' N ' ' A' ' 82' ' ' ASN . 8.4 tt -134.02 172.26 13.07 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.535 1.147 . . . . 74.34 109.276 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 82' ' ' ASN . . . . . 0.847 ' N ' HD23 ' A' ' 81' ' ' LEU . 0.9 OUTLIER -144.49 111.39 5.8 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.511 1.132 . . . . 64.21 109.305 179.978 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 83' ' ' ILE . . . . . 0.52 HG23 ' HB ' ' A' ' 48' ' ' ILE . 31.5 mm -93.46 157.54 2.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.48 1.112 . . . . 53.43 109.239 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 7.4 tpp180 -140.06 110.02 6.46 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.561 1.163 . . . . 71.51 110.309 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.998 HD11 HG22 ' A' ' 48' ' ' ILE . 4.2 mp -89.66 137.37 32.39 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.541 1.15 . . . . 64.22 109.316 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 86' ' ' TYR . . . . . 0.403 ' C ' ' O ' ' A' ' 85' ' ' LEU . 29.0 m-85 . . . . . 0 C--N 1.325 -0.495 0 O-C-N 124.441 1.088 . . . . 73.53 110.966 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo . . . . . 0 N--CA 1.453 -0.873 0 N-CA-C 111.035 -0.41 . . . . 71.04 111.035 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' LEU . . . . . 0.591 HD12 ' N ' ' A' ' 2' ' ' LEU . 3.6 mp -96.8 -20.66 18.04 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.467 1.105 . . . . 75.01 109.3 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -82.42 69.99 3.24 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.547 1.155 . . . . 60.21 110.989 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' SER . . . . . 0.427 ' HB2' HD11 ' A' ' 19' ' ' LEU . 2.5 m -147.27 170.97 16.15 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.517 0.775 . . . . 62.11 109.992 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.444 ' CD1' ' HE2' ' A' ' 22' ' ' LYS . 17.2 mt -125.61 149.53 30.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.525 1.14 . . . . 70.04 109.319 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 7.9 tt -104.3 148.89 25.86 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.436 1.085 . . . . 70.03 109.341 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' PHE . . . . . 1.098 ' CE2' HD11 ' A' ' 29' ' ' LEU . 2.0 m-30 -119.62 95.59 4.84 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.537 1.148 . . . . 72.11 110.997 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 8' ' ' ARG . . . . . 0.402 ' HA ' ' O ' ' A' ' 16' ' ' PHE . 62.4 ttp85 -75.72 64.97 1.81 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.487 1.117 . . . . 63.41 110.296 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.582 HG23 HD23 ' A' ' 85' ' ' LEU . 2.7 mt -48.36 163.87 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.513 1.133 . . . . 64.44 109.32 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 10' ' ' SER . . . . . 0.544 ' HB2' HD12 ' A' ' 15' ' ' ILE . 5.6 t -168.37 131.65 1.51 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.497 1.123 . . . . 52.45 109.963 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 11' ' ' TYR . . . . . 0.54 ' CG ' ' N ' ' A' ' 12' ' ' ASN . 57.4 t80 -145.21 173.42 11.96 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.488 1.118 . . . . 70.43 111.009 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 12' ' ' ASN . . . . . 0.54 ' N ' ' CG ' ' A' ' 11' ' ' TYR . 62.6 t30 -40.16 -28.19 0.05 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.507 1.13 . . . . 72.23 109.282 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 13' ' ' SER . . . . . 0.46 ' N ' ' O ' ' A' ' 11' ' ' TYR . 7.1 t -70.0 -90.33 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.441 1.088 . . . . 50.31 110.016 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 29.9 mt-10 -149.03 -173.28 4.33 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.484 1.115 . . . . 74.33 110.306 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.544 HD12 ' HB2' ' A' ' 10' ' ' SER . 11.6 mm -95.42 131.75 41.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.537 1.148 . . . . 64.12 109.288 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 16' ' ' PHE . . . . . 0.402 ' O ' ' HA ' ' A' ' 8' ' ' ARG . 97.2 m-85 -126.27 165.92 18.07 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.507 1.13 . . . . 71.54 110.982 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 4.1 p -134.2 133.73 41.26 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.462 1.102 . . . . 71.31 110.376 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.716 HD23 ' HE3' ' A' ' 36' ' ' LYS . 2.1 tm? -133.89 113.86 12.68 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.512 1.133 . . . . 71.31 109.314 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.486 ' CD1' ' C ' ' A' ' 19' ' ' LEU . 0.2 OUTLIER -75.17 101.83 4.74 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.532 1.145 . . . . 74.11 109.26 -179.989 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.507 HG23 ' CE3' ' A' ' 24' ' ' TRP . 4.6 p -101.0 153.64 4.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.542 1.151 . . . . 61.25 109.281 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.558 ' HB2' ' CD1' ' A' ' 24' ' ' TRP . 18.0 mm-40 -90.75 167.79 12.23 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.483 1.114 . . . . 72.45 110.314 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 22' ' ' LYS . . . . . 0.444 ' HE2' ' CD1' ' A' ' 5' ' ' ILE . 0.2 OUTLIER -89.69 15.67 9.2 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.471 1.107 . . . . 72.4 109.284 -179.977 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.504 HG13 ' CD1' ' A' ' 24' ' ' TRP . 0.2 OUTLIER -116.1 -38.78 2.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.53 1.144 . . . . 62.33 109.351 179.966 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 24' ' ' TRP . . . . . 0.558 ' CD1' ' HB2' ' A' ' 21' ' ' GLU . 7.7 m0 -56.32 96.77 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.559 1.162 . . . . 74.3 108.009 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 25' ' ' ASN . . . . . 0.498 ' HA ' ' CE2' ' A' ' 66' ' ' TRP . 17.3 p-10 -55.89 174.29 0.12 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.442 1.089 . . . . 60.0 109.299 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 31.8 p90 -53.46 -24.36 12.69 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.531 1.145 . . . . 74.24 111.019 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -72.57 -70.27 0.36 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.439 1.087 . . . . 52.35 109.304 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 33.8 m-20 -57.34 -20.8 31.2 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.484 1.115 . . . . 72.44 109.304 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 1.098 HD11 ' CE2' ' A' ' 7' ' ' PHE . 4.5 tp -71.18 -59.51 2.73 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.496 1.123 . . . . 72.55 109.269 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 17.7 mm -49.15 -44.21 16.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.551 1.157 . . . . 73.44 109.305 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 5.3 mmt -68.46 -23.76 64.63 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.512 1.133 . . . . 43.34 110.957 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 32' ' ' ALA . . . . . 0.546 ' HB3' ' O ' ' A' ' 29' ' ' LEU . . . -65.72 -56.5 11.71 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.479 1.112 . . . . 64.11 109.332 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.606 ' H ' HD12 ' A' ' 33' ' ' ILE . 5.2 mp -65.21 -45.22 94.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.519 1.137 . . . . 74.25 109.256 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 1.2 m-80 -53.5 -21.69 6.75 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.495 1.122 . . . . 71.32 109.315 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 8.4 t -75.36 -40.4 58.18 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.52 1.137 . . . . 75.31 109.966 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 0.716 ' HE3' HD23 ' A' ' 18' ' ' LEU . 1.1 mptp? -70.06 -47.59 61.33 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.468 1.105 . . . . 73.43 109.277 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.719 HD13 HD11 ' A' ' 45' ' ' ILE . 0.6 OUTLIER -78.09 -6.08 8.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.449 1.093 . . . . 73.22 109.321 179.978 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 38' ' ' SER . . . . . 0.431 ' C ' ' N ' ' A' ' 40' ' ' THR . 34.4 t -46.54 -25.16 0.64 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.553 1.158 . . . . 64.53 109.977 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 39' ' ' ASN . . . . . 0.4 ' N ' ' C ' ' A' ' 37' ' ' ILE . 5.4 t30 -40.47 -29.92 0.1 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.482 1.114 . . . . 71.25 109.332 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 40' ' ' THR . . . . . 0.431 ' N ' ' C ' ' A' ' 38' ' ' SER . 0.0 OUTLIER -116.81 97.48 5.99 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.499 1.124 . . . . 74.04 110.369 179.984 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 16.5 t-80 -91.54 38.66 0.98 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.461 1.101 . . . . 73.13 109.626 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 5.7 pt -103.17 -32.6 3.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.51 1.131 . . . . 61.22 109.312 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 1.7 t 177.07 93.91 0.12 Allowed Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.524 1.14 . . . . 61.24 110.009 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 -162.26 0.15 Allowed 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.482 1.78 . . . . 72.31 111.037 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 45' ' ' ILE . . . . . 0.816 HG21 HD12 ' A' ' 85' ' ' LEU . 1.5 pp -128.68 112.36 25.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.532 1.145 . . . . 20.51 109.296 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 1.6 t -81.6 -10.71 59.36 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.488 1.117 . . . . 54.31 110.394 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 11.1 pttt -127.71 134.72 49.57 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.478 1.111 . . . . 73.24 109.305 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.623 HG22 HD21 ' A' ' 85' ' ' LEU . 12.1 pt -121.08 176.1 4.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.533 1.145 . . . . 63.4 109.219 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 49' ' ' LYS . . . . . 0.418 ' HD3' ' CB ' ' A' ' 57' ' ' PHE . 12.9 tttt -134.48 104.82 6.26 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.516 1.135 . . . . 63.34 109.291 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 50' ' ' TYR . . . . . 0.78 ' HB2' HD21 ' A' ' 81' ' ' LEU . 8.3 p90 -99.53 146.88 25.91 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.494 1.121 . . . . 72.13 111.013 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 46.5 tt0 -67.9 136.74 54.49 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.479 1.112 . . . . 71.33 110.268 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 52' ' ' ASP . . . . . 0.416 ' HB2' ' CG2' ' A' ' 58' ' ' VAL . 11.0 t0 -97.81 -172.12 2.31 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.484 1.115 . . . . 63.13 109.303 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 1.2 pp20? -69.93 -35.85 74.86 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.518 1.137 . . . . 74.45 110.279 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 23.0 t0 -62.12 -15.39 45.26 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.465 1.103 . . . . 72.33 109.336 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 91.01 0.04 75.16 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.466 1.104 . . . . 63.41 111.003 -180.0 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 23.7 t0 -89.98 178.77 6.12 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.457 0.74 . . . . 65.34 109.3 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 57' ' ' PHE . . . . . 0.418 ' CB ' ' HD3' ' A' ' 49' ' ' LYS . 3.9 m-85 -100.69 125.2 47.1 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.499 1.124 . . . . 74.12 111.01 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.445 HG23 ' O ' ' A' ' 50' ' ' TYR . 0.2 OUTLIER -122.8 145.08 30.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.489 1.118 . . . . 62.02 109.338 179.981 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 2.8 p -74.21 141.27 16.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.477 1.111 . . . . 72.2 109.269 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.508 ' HB2' ' CD1' ' A' ' 50' ' ' TYR . 0.6 OUTLIER -130.68 109.72 10.84 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.56 1.162 . . . . 71.34 109.289 -179.999 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 61' ' ' GLY . . . . . 0.442 ' N ' HD12 ' A' ' 60' ' ' LEU . . . -148.37 23.02 1.38 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.468 1.105 . . . . 64.22 111.039 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 1.4 p -149.03 173.66 13.14 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.479 0.752 . . . . 72.12 109.965 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 63' ' ' ASP . . . . . 0.442 ' O ' ' N ' ' A' ' 67' ' ' ASN . 0.6 OUTLIER -71.43 -28.96 64.34 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.484 1.115 . . . . 64.02 109.306 179.995 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 64' ' ' GLU . . . . . 0.58 ' O ' HG23 ' A' ' 68' ' ' VAL . 4.1 tt0 -67.76 -38.73 83.85 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.565 1.166 . . . . 72.13 110.293 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 65' ' ' ASP . . . . . 0.515 ' O ' ' HB2' ' A' ' 69' ' ' ALA . 6.6 m-20 -85.83 -15.02 43.25 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.569 1.168 . . . . 75.11 109.318 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 66' ' ' TRP . . . . . 0.595 ' CZ3' ' OD1' ' A' ' 67' ' ' ASN . 5.9 t90 -93.9 -22.93 18.31 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.557 1.161 . . . . 75.4 108.016 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 67' ' ' ASN . . . . . 0.595 ' OD1' ' CZ3' ' A' ' 66' ' ' TRP . 52.6 m-20 -93.99 -50.06 5.49 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.471 1.107 . . . . 62.13 109.322 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.58 HG23 ' O ' ' A' ' 64' ' ' GLU . 91.0 t -61.62 -22.36 27.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.467 1.105 . . . . 55.21 109.281 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 69' ' ' ALA . . . . . 0.563 ' O ' HD23 ' A' ' 73' ' ' LEU . . . -75.09 -29.97 60.78 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.47 1.107 . . . . 75.33 109.273 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 6.8 mtmp? -72.7 -56.82 4.72 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.49 1.119 . . . . 65.53 109.324 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -52.54 -20.54 3.04 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.504 1.127 . . . . 74.43 110.33 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 72' ' ' MET . . . . . 0.546 ' HE3' HD22 ' A' ' 73' ' ' LEU . 13.2 ttp -75.3 -33.27 61.18 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.48 1.112 . . . . 72.31 110.983 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.852 HD21 HD12 ' A' ' 81' ' ' LEU . 0.3 OUTLIER -55.8 -60.43 3.47 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.524 1.14 . . . . 72.42 109.296 179.996 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -53.56 -20.93 5.62 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.556 1.16 . . . . 73.23 109.306 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 43.0 mt-10 -88.21 -26.69 22.25 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.51 1.131 . . . . 65.22 110.329 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 4.2 m-20 -93.54 7.1 45.94 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.509 1.13 . . . . 62.55 109.308 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 36.5 m-80 40.42 34.18 0.22 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.502 1.126 . . . . 74.14 109.293 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 78' ' ' GLU . . . . . 0.763 ' HG3' HD13 ' A' ' 73' ' ' LEU . 9.6 pt-20 -108.86 169.66 8.53 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.47 1.106 . . . . 71.14 110.346 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 36.2 mmtt -122.81 17.8 10.22 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.505 1.128 . . . . 75.13 109.316 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 13.6 p90 -155.78 167.14 31.35 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.501 1.126 . . . . 61.32 110.988 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.852 HD12 HD21 ' A' ' 73' ' ' LEU . 3.6 tt -127.76 168.73 14.71 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.487 1.117 . . . . 52.42 109.318 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 82' ' ' ASN . . . . . 0.772 ' N ' HD23 ' A' ' 81' ' ' LEU . 2.2 t30 -131.73 140.46 49.26 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.511 1.132 . . . . 74.44 109.295 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 83' ' ' ILE . . . . . 0.572 HG13 ' CD2' ' A' ' 7' ' ' PHE . 19.6 mm -129.84 145.25 35.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.495 1.122 . . . . 74.51 109.325 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 84' ' ' ARG . . . . . 0.76 ' O ' HD22 ' A' ' 85' ' ' LEU . 53.1 ttt180 -121.98 154.79 36.74 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.496 1.122 . . . . 75.5 110.29 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.816 HD12 HG21 ' A' ' 45' ' ' ILE . 3.0 mm? -136.78 136.48 38.93 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.47 1.106 . . . . 71.23 109.318 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 2.0 t80 . . . . . 0 C--N 1.324 -0.503 0 O-C-N 124.469 1.105 . . . . 70.31 111.007 179.996 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' PRO . . . . . 0.443 ' C ' ' N ' ' A' ' 3' ' ' GLY . 18.2 Cg_endo . . . . . 0 N--CA 1.453 -0.91 0 N-CA-C 111.003 -0.422 . . . . 71.23 111.003 . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 1.3 mt 41.82 28.94 0.1 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.507 1.129 . . . . 73.13 109.28 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' GLY . . . . . 0.443 ' N ' ' C ' ' A' ' 1' ' ' PRO . . . -119.09 59.32 0.52 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.462 1.102 . . . . 71.4 111.014 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 4' ' ' SER . . . . . 0.505 ' CB ' HD11 ' A' ' 19' ' ' LEU . 0.8 OUTLIER -146.15 -178.83 6.34 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.466 0.745 . . . . 73.31 110.022 -179.969 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.622 HD13 HD12 ' A' ' 73' ' ' LEU . 15.1 mt -139.38 146.25 25.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.497 1.123 . . . . 62.2 109.246 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.918 HD13 ' N ' ' A' ' 7' ' ' PHE . 3.2 tm? -91.58 147.89 22.68 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.531 1.144 . . . . 72.15 109.284 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 7' ' ' PHE . . . . . 0.918 ' N ' HD13 ' A' ' 6' ' ' LEU . 1.6 m-85 -127.3 118.8 24.9 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.529 1.143 . . . . 74.32 111.012 179.944 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 8' ' ' ARG . . . . . 0.588 ' HB3' HG23 ' A' ' 15' ' ' ILE . 18.0 mmt180 -88.6 119.44 29.07 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.476 1.11 . . . . 74.24 110.333 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.432 ' HB ' ' CB ' ' A' ' 16' ' ' PHE . 4.1 mm -100.08 93.31 2.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.533 1.145 . . . . 72.03 109.268 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 10' ' ' SER . . . . . 0.667 ' HB3' HD13 ' A' ' 15' ' ' ILE . 1.6 p -89.6 115.06 26.71 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.499 1.125 . . . . 44.51 110.036 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 11' ' ' TYR . . . . . 0.482 ' CG ' ' N ' ' A' ' 12' ' ' ASN . 80.6 t80 -131.47 175.49 9.11 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.5 1.125 . . . . 73.03 110.979 -179.952 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 12' ' ' ASN . . . . . 0.482 ' N ' ' CG ' ' A' ' 11' ' ' TYR . 46.4 t30 -38.97 -29.67 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.523 1.139 . . . . 74.14 109.283 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 13' ' ' SER . . . . . 0.463 ' N ' ' O ' ' A' ' 11' ' ' TYR . 12.4 t -75.79 -80.48 0.09 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.44 1.088 . . . . 74.32 110.016 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -166.39 -158.78 0.34 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.497 1.123 . . . . 64.53 110.291 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.667 HD13 ' HB3' ' A' ' 10' ' ' SER . 2.2 mm -91.77 133.46 33.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.522 1.139 . . . . 62.53 109.326 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 16' ' ' PHE . . . . . 0.432 ' CB ' ' HB ' ' A' ' 9' ' ' ILE . 0.1 OUTLIER -109.7 -174.25 2.45 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.476 1.11 . . . . 71.23 111.026 -180.0 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.545 HG23 ' NH1' ' A' ' 8' ' ' ARG . 2.2 p -139.7 126.53 20.75 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.499 1.125 . . . . 63.4 110.377 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.735 HD22 ' N ' ' A' ' 19' ' ' LEU . 0.2 OUTLIER -137.86 114.94 10.85 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.53 1.144 . . . . 70.42 109.325 179.95 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.735 ' N ' HD22 ' A' ' 18' ' ' LEU . 0.2 OUTLIER -78.41 112.46 15.46 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.536 1.148 . . . . 71.15 109.273 -179.986 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.664 HG23 ' CE3' ' A' ' 24' ' ' TRP . 10.2 p -119.57 130.2 74.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.512 1.132 . . . . 74.54 109.272 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.568 ' HB2' ' CD1' ' A' ' 24' ' ' TRP . 11.6 mt-10 -69.66 167.31 17.25 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.532 1.145 . . . . 64.14 110.296 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 22' ' ' LYS . . . . . 0.415 ' O ' ' NZ ' ' A' ' 70' ' ' LYS . 8.7 mtpt -87.88 12.07 14.06 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.53 1.144 . . . . 72.41 109.327 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.501 HG12 ' HB3' ' A' ' 21' ' ' GLU . 0.2 OUTLIER -112.24 -32.92 2.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.457 1.098 . . . . 65.13 109.247 -179.976 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 24' ' ' TRP . . . . . 0.664 ' CE3' HG23 ' A' ' 20' ' ' VAL . 21.5 m0 -55.9 102.73 0.08 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.485 1.116 . . . . 73.14 108.012 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 25' ' ' ASN . . . . . 0.517 ' HA ' ' CE2' ' A' ' 66' ' ' TRP . 6.0 p-10 -65.25 179.68 0.71 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.528 1.142 . . . . 72.2 109.291 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 26' ' ' PHE . . . . . 0.627 ' CD1' ' N ' ' A' ' 27' ' ' ASP . 18.3 p90 -47.76 -43.95 27.8 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.47 1.106 . . . . 75.54 110.961 -179.959 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 27' ' ' ASP . . . . . 0.627 ' N ' ' CD1' ' A' ' 26' ' ' PHE . 26.9 t70 -61.29 -58.89 6.43 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.517 1.135 . . . . 71.35 109.311 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 19.8 t0 -59.45 -20.62 56.58 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.486 1.116 . . . . 73.54 109.282 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.715 ' CD2' HD21 ' A' ' 60' ' ' LEU . 1.7 tp -73.01 -59.41 2.72 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.481 1.113 . . . . 73.14 109.308 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 18.8 mm -49.55 -46.71 20.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.516 1.135 . . . . 74.04 109.282 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 3.4 mmt -62.5 -25.16 67.87 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.49 1.119 . . . . 64.14 111.018 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 32' ' ' ALA . . . . . 0.613 ' HB3' ' O ' ' A' ' 29' ' ' LEU . . . -63.12 -61.5 2.33 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.535 1.147 . . . . 73.23 109.284 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.595 ' H ' HD12 ' A' ' 33' ' ' ILE . 4.4 mp -59.29 -45.2 93.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.479 1.112 . . . . 72.2 109.296 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 1.2 m-80 -52.33 -21.76 3.87 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.484 1.115 . . . . 51.44 109.299 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 5.0 t -77.81 -42.06 35.06 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.489 1.118 . . . . 70.02 110.009 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 0.721 ' CE ' HD23 ' A' ' 18' ' ' LEU . 2.2 mptp? -68.63 -36.47 78.67 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.543 1.152 . . . . 72.41 109.267 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.701 HD13 HD11 ' A' ' 45' ' ' ILE . 0.6 OUTLIER -89.27 -1.54 9.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.492 1.12 . . . . 74.45 109.282 -179.99 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 38.8 t -56.2 -18.13 9.36 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.492 1.12 . . . . 71.04 109.984 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 28.2 t30 -41.39 -71.72 0.08 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.563 1.164 . . . . 72.31 109.313 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 40' ' ' THR . . . . . 0.502 HG23 ' N ' ' A' ' 41' ' ' HIS . 2.9 t -57.62 -55.83 29.76 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.501 1.126 . . . . 74.1 110.454 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 41' ' ' HIS . . . . . 0.539 ' CG ' ' O ' ' A' ' 41' ' ' HIS . 48.8 t60 63.31 37.93 10.64 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.527 1.142 . . . . 73.25 109.62 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.767 HD12 ' HB2' ' A' ' 43' ' ' SER . 1.8 pp -119.46 -42.1 2.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.54 1.15 . . . . 72.41 109.271 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 43' ' ' SER . . . . . 0.767 ' HB2' HD12 ' A' ' 42' ' ' ILE . 4.5 t -150.85 95.2 3.46 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.532 1.145 . . . . 72.33 109.988 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -162.28 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.492 1.785 . . . . 74.53 110.99 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 45' ' ' ILE . . . . . 0.76 HG12 HD21 ' A' ' 85' ' ' LEU . 1.3 pp -144.83 110.8 1.21 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.525 1.141 . . . . 74.03 109.263 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 11.0 p -86.21 -14.23 44.54 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.507 1.13 . . . . 71.32 110.424 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 1.3 mmmm -113.4 122.15 46.49 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.471 1.107 . . . . 71.34 109.339 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 3.7 pt -125.43 169.09 17.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.519 1.137 . . . . 65.1 109.276 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 49' ' ' LYS . . . . . 0.482 ' HD2' HH21 ' A' ' 84' ' ' ARG . 26.9 mttp -128.13 107.42 9.79 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.508 1.13 . . . . 74.2 109.307 179.945 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 50' ' ' TYR . . . . . 0.706 ' HB2' HD11 ' A' ' 81' ' ' LEU . 10.6 p90 -97.46 148.86 22.78 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.512 1.133 . . . . 72.33 111.031 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 50.5 tt0 -77.13 147.57 36.5 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.533 1.145 . . . . 73.41 110.297 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -110.82 -172.84 2.11 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.498 1.124 . . . . 71.11 109.28 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 53' ' ' GLU . . . . . 0.485 ' CB ' ' OD1' ' A' ' 76' ' ' ASN . 2.0 pp20? -66.6 -31.73 72.6 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.496 1.122 . . . . 73.22 110.272 -179.952 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 5.5 t0 -89.18 14.41 10.94 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.534 1.146 . . . . 53.21 109.332 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 56.52 16.83 17.34 Favored Glycine 0 CA--C 1.531 1.066 0 O-C-N 124.514 1.134 . . . . 75.55 110.976 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 24.4 m-20 -88.87 105.99 18.1 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.511 0.771 . . . . 64.01 109.273 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 57' ' ' PHE . . . . . 0.432 ' CD1' ' O ' ' A' ' 57' ' ' PHE . 17.2 p90 -50.05 119.19 3.41 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.513 1.133 . . . . 63.04 111.051 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.626 HG23 ' CE1' ' A' ' 50' ' ' TYR . 0.1 OUTLIER -122.75 149.18 26.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.482 1.114 . . . . 64.33 109.31 -179.963 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 7.2 p -74.77 146.85 9.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.53 1.144 . . . . 72.15 109.318 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.999 HD12 ' N ' ' A' ' 61' ' ' GLY . 0.3 OUTLIER -136.35 125.21 24.09 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.475 1.11 . . . . 72.32 109.272 -179.983 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 61' ' ' GLY . . . . . 0.999 ' N ' HD12 ' A' ' 60' ' ' LEU . . . -165.22 29.17 0.21 Allowed Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.51 1.131 . . . . 55.5 111.025 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 75.6 m -158.4 -179.47 8.12 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.513 0.772 . . . . 75.32 110.003 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 63' ' ' ASP . . . . . 0.572 ' OD1' ' CE3' ' A' ' 66' ' ' TRP . 8.1 t70 -77.45 -29.62 52.92 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.471 1.107 . . . . 64.52 109.292 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 64' ' ' GLU . . . . . 0.694 ' O ' HG23 ' A' ' 68' ' ' VAL . 8.7 pt-20 -67.33 -38.66 85.25 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.546 1.154 . . . . 64.22 110.314 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 65' ' ' ASP . . . . . 0.449 ' O ' ' HB2' ' A' ' 69' ' ' ALA . 10.2 m-20 -84.85 -14.48 47.81 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.512 1.133 . . . . 62.51 109.309 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 66' ' ' TRP . . . . . 0.594 ' CZ3' ' OD1' ' A' ' 67' ' ' ASN . 5.3 t90 -94.26 -23.44 17.86 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.518 1.136 . . . . 54.43 107.995 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 67' ' ' ASN . . . . . 0.594 ' OD1' ' CZ3' ' A' ' 66' ' ' TRP . 34.7 m-20 -93.2 -51.7 4.89 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.497 1.123 . . . . 71.33 109.262 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.694 HG23 ' O ' ' A' ' 64' ' ' GLU . 61.3 t -61.98 -15.09 13.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.131 . . . . 63.41 109.326 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 69' ' ' ALA . . . . . 0.449 ' HB2' ' O ' ' A' ' 65' ' ' ASP . . . -89.32 -42.52 11.53 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.485 1.116 . . . . 73.42 109.271 -179.959 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 70' ' ' LYS . . . . . 0.415 ' NZ ' ' O ' ' A' ' 22' ' ' LYS . 9.3 mtmt -69.85 -59.44 2.93 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.48 1.113 . . . . 74.41 109.284 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 37.4 mt-10 -46.54 -25.88 0.77 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.519 1.137 . . . . 53.24 110.366 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 72' ' ' MET . . . . . 0.447 ' CG ' ' HB3' ' A' ' 53' ' ' GLU . 11.7 tpp -73.79 -41.6 62.15 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.501 1.126 . . . . 63.24 110.988 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.622 HD12 HD13 ' A' ' 5' ' ' ILE . 5.9 mt -47.27 -45.16 23.7 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.524 1.14 . . . . 51.35 109.309 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -57.24 -35.12 69.32 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.473 1.108 . . . . 73.12 109.309 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 75' ' ' GLU . . . . . 0.429 ' N ' ' O ' ' A' ' 72' ' ' MET . 6.0 mm-40 -81.82 -26.04 34.67 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.484 1.115 . . . . 44.32 110.292 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 76' ' ' ASN . . . . . 0.485 ' OD1' ' CB ' ' A' ' 53' ' ' GLU . 81.6 m-20 -83.55 -11.95 56.75 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.481 1.113 . . . . 72.41 109.346 179.949 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 5.0 m120 60.55 34.65 20.27 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.47 1.106 . . . . 72.0 109.291 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 78' ' ' GLU . . . . . 0.454 ' HB2' ' CD1' ' A' ' 80' ' ' PHE . 8.9 pt-20 -123.46 147.4 47.21 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.496 1.122 . . . . 74.14 110.293 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 6.0 mmpt? -111.72 35.36 3.7 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.473 1.108 . . . . 73.23 109.305 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 80' ' ' PHE . . . . . 0.454 ' CD1' ' HB2' ' A' ' 78' ' ' GLU . 9.1 p90 -147.37 176.81 9.72 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.519 1.137 . . . . 73.03 111.03 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.795 HD13 ' H ' ' A' ' 82' ' ' ASN . 0.5 OUTLIER -142.37 159.62 41.87 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.489 1.118 . . . . 64.14 109.287 -179.973 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 82' ' ' ASN . . . . . 0.795 ' H ' HD13 ' A' ' 81' ' ' LEU . 1.0 OUTLIER -133.44 109.58 9.4 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.462 1.102 . . . . 74.02 109.297 179.98 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 83' ' ' ILE . . . . . 0.556 HD13 ' HA ' ' A' ' 50' ' ' TYR . 27.6 mm -104.71 156.06 6.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.52 1.138 . . . . 73.33 109.322 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 84' ' ' ARG . . . . . 0.482 HH21 ' HD2' ' A' ' 49' ' ' LYS . 14.2 ttp85 -122.32 150.25 42.64 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.496 1.122 . . . . 75.33 110.316 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.76 HD21 HG12 ' A' ' 45' ' ' ILE . 7.6 tp -140.52 123.84 16.81 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.529 1.143 . . . . 71.42 109.264 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 19.6 p90 . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.435 1.084 . . . . 65.44 111.034 179.942 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 N--CA 1.452 -0.915 0 N-CA-C 111.04 -0.408 . . . . 63.41 111.04 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' LEU . . . . . 0.583 ' H ' HD23 ' A' ' 2' ' ' LEU . 0.2 OUTLIER -93.24 151.09 20.03 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.484 1.115 . . . . 75.1 109.297 179.974 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 3' ' ' GLY . . . . . 0.429 ' CA ' ' HD2' ' A' ' 22' ' ' LYS . . . 100.6 70.39 0.91 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.497 1.123 . . . . 61.52 110.961 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -133.77 153.78 51.47 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.456 0.739 . . . . 72.13 110.0 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.68 HD11 ' NZ ' ' A' ' 22' ' ' LYS . 10.6 mt -129.55 148.75 33.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.538 1.149 . . . . 62.42 109.296 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.871 HD22 ' H ' ' A' ' 7' ' ' PHE . 0.8 OUTLIER -102.18 147.28 26.82 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.48 1.113 . . . . 63.43 109.3 179.967 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 7' ' ' PHE . . . . . 0.871 ' H ' HD22 ' A' ' 6' ' ' LEU . 2.3 m-85 -127.6 122.83 34.18 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.5 1.125 . . . . 73.2 111.027 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 8' ' ' ARG . . . . . 0.871 ' HG2' HG22 ' A' ' 17' ' ' THR . 11.3 mtm180 -103.52 90.05 3.55 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.478 1.111 . . . . 65.1 110.252 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.664 ' H ' HD12 ' A' ' 9' ' ' ILE . 4.3 mp -66.17 147.96 12.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.505 1.128 . . . . 72.25 109.305 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 10' ' ' SER . . . . . 0.847 ' OG ' HG23 ' A' ' 15' ' ' ILE . 11.3 m -151.17 111.52 4.16 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.465 1.103 . . . . 60.44 110.001 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 11' ' ' TYR . . . . . 0.555 ' CG ' ' N ' ' A' ' 12' ' ' ASN . 58.1 t80 -133.51 173.97 10.92 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.452 1.095 . . . . 72.42 111.027 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 12' ' ' ASN . . . . . 0.555 ' N ' ' CG ' ' A' ' 11' ' ' TYR . 32.0 t30 -38.91 -29.32 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.519 1.137 . . . . 62.14 109.304 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 13' ' ' SER . . . . . 0.5 ' O ' ' CG ' ' A' ' 14' ' ' GLU . 11.7 t -68.16 -83.33 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.491 1.119 . . . . 64.32 109.937 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 14' ' ' GLU . . . . . 0.5 ' CG ' ' O ' ' A' ' 13' ' ' SER . 24.3 mt-10 -161.54 -173.56 3.83 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.532 1.145 . . . . 70.12 110.3 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.847 HG23 ' OG ' ' A' ' 10' ' ' SER . 1.5 mp -103.66 118.37 50.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.503 1.127 . . . . 64.43 109.327 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 16' ' ' PHE . . . . . 0.412 ' O ' ' HA ' ' A' ' 8' ' ' ARG . 22.0 m-85 -120.46 178.62 4.6 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.543 1.152 . . . . 71.21 111.011 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.871 HG22 ' HG2' ' A' ' 8' ' ' ARG . 26.4 p -125.46 153.59 43.29 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.502 1.126 . . . . 61.21 110.4 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.683 ' C ' HD23 ' A' ' 18' ' ' LEU . 4.5 tt -155.76 127.44 7.36 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.495 1.122 . . . . 55.01 109.307 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.583 ' N ' HD23 ' A' ' 18' ' ' LEU . 0.2 OUTLIER -86.01 115.93 23.91 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.487 1.117 . . . . 34.32 109.287 179.989 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.605 HG11 ' CD1' ' A' ' 7' ' ' PHE . 2.9 p -116.72 115.58 49.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.491 1.12 . . . . 51.1 109.285 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.506 ' HB3' HG12 ' A' ' 23' ' ' VAL . 10.6 mm-40 -58.72 169.53 0.95 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.488 1.118 . . . . 42.42 110.307 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 22' ' ' LYS . . . . . 0.68 ' NZ ' HD11 ' A' ' 5' ' ' ILE . 40.8 mttm -87.58 11.33 15.25 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.498 1.124 . . . . 74.22 109.287 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.506 HG12 ' HB3' ' A' ' 21' ' ' GLU . 0.2 OUTLIER -112.15 -15.26 10.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.496 1.122 . . . . 74.12 109.332 179.978 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 24' ' ' TRP . . . . . 0.486 ' CD1' ' HB2' ' A' ' 21' ' ' GLU . 21.3 m0 -75.94 87.21 2.89 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.514 1.134 . . . . 72.32 108.024 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 25' ' ' ASN . . . . . 0.413 ' OD1' ' N ' ' A' ' 25' ' ' ASN . 6.9 p-10 -52.3 -179.82 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.505 1.128 . . . . 64.13 109.356 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 26' ' ' PHE . . . . . 0.524 ' CD1' ' N ' ' A' ' 27' ' ' ASP . 33.0 p90 -48.07 -39.65 20.8 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.48 1.112 . . . . 72.34 110.984 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 27' ' ' ASP . . . . . 0.524 ' N ' ' CD1' ' A' ' 26' ' ' PHE . 15.6 t70 -63.39 -63.68 1.12 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.485 1.116 . . . . 72.22 109.317 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 28' ' ' ASP . . . . . 0.467 ' HB2' ' CA ' ' A' ' 24' ' ' TRP . 8.0 m-20 -53.86 -24.37 15.63 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.53 1.144 . . . . 73.33 109.316 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.531 HD21 HD11 ' A' ' 48' ' ' ILE . 2.2 tp -69.06 -51.32 40.05 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.511 1.132 . . . . 62.13 109.242 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.401 HD13 ' HA ' ' A' ' 30' ' ' ILE . 28.0 mm -64.67 -40.17 88.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.542 1.151 . . . . 63.52 109.303 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 11.2 mmt -66.4 -24.86 66.54 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.537 1.148 . . . . 74.43 110.979 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -69.58 -64.06 0.95 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.453 1.095 . . . . 75.14 109.266 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.516 ' O ' HG23 ' A' ' 37' ' ' ILE . 3.8 mp -58.51 -34.9 52.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.531 1.145 . . . . 65.11 109.293 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -60.28 -20.26 58.34 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.524 1.14 . . . . 74.24 109.291 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 11.7 t -82.49 -47.04 12.65 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.462 1.102 . . . . 61.22 109.967 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 0.63 ' HD3' HD12 ' A' ' 18' ' ' LEU . 0.6 OUTLIER -63.54 -36.88 85.24 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.53 1.144 . . . . 71.34 109.26 -179.947 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.546 HD12 HG13 ' A' ' 45' ' ' ILE . 1.4 pt -84.57 -13.18 11.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.547 1.154 . . . . 72.44 109.309 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 17.8 t -39.3 -30.01 0.05 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.482 1.114 . . . . 74.3 109.997 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 39' ' ' ASN . . . . . 0.437 ' N ' ' C ' ' A' ' 37' ' ' ILE . 18.6 t-20 -41.88 -50.47 4.45 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.502 1.126 . . . . 62.31 109.301 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 16.8 p -73.91 131.81 41.84 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.499 1.125 . . . . 73.13 110.39 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -105.99 18.91 21.36 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.543 1.152 . . . . 71.22 109.589 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.494 ' O ' ' CB ' ' A' ' 43' ' ' SER . 6.0 pt -84.88 -41.5 15.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.483 1.115 . . . . 64.43 109.309 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 43' ' ' SER . . . . . 0.494 ' CB ' ' O ' ' A' ' 42' ' ' ILE . 2.2 p 159.84 141.25 0.01 OUTLIER Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.549 1.156 . . . . 73.14 109.97 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -162.18 0.14 Allowed 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.507 1.793 . . . . 75.3 110.992 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 45' ' ' ILE . . . . . 0.659 HD12 ' O ' ' A' ' 45' ' ' ILE . 1.4 pp -139.8 134.37 37.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.439 1.087 . . . . 71.3 109.289 -179.956 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 9.9 t -94.47 -41.98 9.09 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.5 1.125 . . . . 73.14 110.421 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 3.6 ptpp? -89.12 135.48 33.54 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.503 1.127 . . . . 71.14 109.287 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.58 HG22 HD11 ' A' ' 85' ' ' LEU . 17.6 pt -133.46 131.72 57.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.488 1.117 . . . . 72.23 109.324 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 4.8 mmtp -88.98 110.21 20.93 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.44 1.087 . . . . 70.31 109.276 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 50' ' ' TYR . . . . . 0.726 ' CE1' HG23 ' A' ' 58' ' ' VAL . 6.5 p90 -108.3 143.34 37.31 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.476 1.11 . . . . 52.11 111.024 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 24.7 tt0 -76.13 148.28 37.95 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.494 1.121 . . . . 72.31 110.32 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 30.3 p30 -120.12 -173.35 2.54 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.507 1.129 . . . . 74.44 109.296 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 16.2 pt-20 -58.53 -49.11 78.58 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.474 1.109 . . . . 70.11 110.285 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 25.1 t0 -49.77 -23.63 1.93 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.469 1.105 . . . . 75.31 109.349 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 91.46 13.09 58.9 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.457 1.098 . . . . 55.24 110.977 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 81.1 m-20 -103.24 160.74 14.41 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.51 0.77 . . . . 73.41 109.261 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 2.5 m-85 -96.29 117.21 30.35 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.502 1.126 . . . . 72.3 110.996 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.726 HG23 ' CE1' ' A' ' 50' ' ' TYR . 0.4 OUTLIER -117.56 142.88 29.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.509 1.131 . . . . 73.35 109.324 -179.984 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 26.6 t -57.56 152.14 3.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 O-C-N 124.528 1.142 . . . . 72.53 109.303 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.645 HD12 ' N ' ' A' ' 61' ' ' GLY . 0.6 OUTLIER -149.23 118.8 6.95 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.502 1.126 . . . . 74.3 109.309 179.986 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 61' ' ' GLY . . . . . 0.645 ' N ' HD12 ' A' ' 60' ' ' LEU . . . -156.86 27.99 0.53 Allowed Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.53 1.144 . . . . 62.41 110.976 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 52.4 m -147.68 168.78 21.19 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.537 0.787 . . . . 65.43 110.017 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -74.26 -30.03 61.94 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.501 1.126 . . . . 73.43 109.309 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 64' ' ' GLU . . . . . 0.481 ' O ' ' CG2' ' A' ' 68' ' ' VAL . 7.1 tt0 -77.02 -16.26 59.35 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.504 1.127 . . . . 74.4 110.327 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 65' ' ' ASP . . . . . 0.408 ' C ' HD13 ' A' ' 60' ' ' LEU . 34.6 m-20 -102.27 -18.35 15.5 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.469 1.106 . . . . 52.53 109.263 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 66' ' ' TRP . . . . . 0.598 ' O ' ' CE3' ' A' ' 66' ' ' TRP . 3.5 t-105 -96.07 -23.79 16.63 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.514 1.134 . . . . 75.13 107.994 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 6.2 t30 -88.54 -47.7 8.12 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.511 1.132 . . . . 71.23 109.297 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.481 ' CG2' ' O ' ' A' ' 64' ' ' GLU . 55.6 t -60.94 -28.3 43.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.476 1.11 . . . . 74.51 109.282 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 69' ' ' ALA . . . . . 0.61 ' HB2' ' CE2' ' A' ' 50' ' ' TYR . . . -77.62 -32.93 53.77 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.47 1.106 . . . . 72.43 109.279 -179.946 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 70' ' ' LYS . . . . . 0.557 ' HD3' ' CH2' ' A' ' 66' ' ' TRP . 3.4 mtmp? -70.9 -57.56 4.47 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.512 1.132 . . . . 74.22 109.314 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -48.99 -23.15 1.03 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.522 1.139 . . . . 73.45 110.263 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 72' ' ' MET . . . . . 0.426 ' O ' ' N ' ' A' ' 75' ' ' GLU . 6.0 ttm -76.62 -38.63 54.38 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.547 1.154 . . . . 64.22 110.991 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.432 HD11 HD12 ' A' ' 81' ' ' LEU . 14.0 mt -47.24 -52.59 15.6 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.542 1.152 . . . . 64.21 109.314 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -54.2 -29.71 47.1 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.506 1.129 . . . . 53.2 109.318 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 75' ' ' GLU . . . . . 0.426 ' N ' ' O ' ' A' ' 72' ' ' MET . 59.3 mt-10 -83.52 -27.98 28.98 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.454 1.096 . . . . 74.52 110.27 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 76' ' ' ASN . . . . . 0.403 ' CB ' ' CD ' ' A' ' 78' ' ' GLU . 75.3 m-20 -89.1 13.56 12.8 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.526 1.141 . . . . 72.33 109.295 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 77' ' ' ASN . . . . . 0.403 ' C ' ' O ' ' A' ' 76' ' ' ASN . 39.8 m-80 40.44 32.89 0.15 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.518 1.136 . . . . 75.11 109.305 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 78' ' ' GLU . . . . . 0.48 ' HB2' ' CE2' ' A' ' 80' ' ' PHE . 6.2 pt-20 -128.19 121.28 29.06 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.484 1.115 . . . . 72.33 110.287 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 1.4 tppp? -87.53 5.08 40.97 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.544 1.153 . . . . 72.22 109.265 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 80' ' ' PHE . . . . . 0.48 ' CE2' ' HB2' ' A' ' 78' ' ' GLU . 10.6 p90 -114.27 155.43 26.18 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.509 1.131 . . . . 73.44 111.013 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.792 HD23 ' N ' ' A' ' 82' ' ' ASN . 2.7 tt -127.61 165.82 19.24 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.499 1.125 . . . . 71.3 109.307 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 82' ' ' ASN . . . . . 0.792 ' N ' HD23 ' A' ' 81' ' ' LEU . 7.5 t-20 -136.69 136.81 39.37 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.447 1.092 . . . . 75.22 109.273 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 83' ' ' ILE . . . . . 0.663 HD13 ' HA ' ' A' ' 50' ' ' TYR . 47.6 mm -133.37 145.22 34.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.529 1.143 . . . . 60.23 109.311 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 84' ' ' ARG . . . . . 0.484 ' CG ' ' O ' ' A' ' 84' ' ' ARG . 0.6 OUTLIER -139.65 123.66 17.73 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.559 1.162 . . . . 73.53 110.309 179.978 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.58 HD11 HG22 ' A' ' 48' ' ' ILE . 3.5 mm? -98.78 149.81 22.49 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.511 1.132 . . . . 70.42 109.341 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 7.8 t80 . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.496 1.122 . . . . 63.33 111.0 -179.971 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 N--CA 1.453 -0.884 0 N-CA-C 110.969 -0.435 . . . . 72.01 110.969 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 10.7 mt -89.98 -175.1 4.48 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.521 1.138 . . . . 62.02 109.345 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 49.87 42.53 38.1 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.517 1.136 . . . . 54.22 111.002 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -135.91 161.32 35.97 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.505 0.767 . . . . 62.14 110.036 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.638 HD13 HD12 ' A' ' 73' ' ' LEU . 32.4 mt -138.59 143.19 32.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.487 1.117 . . . . 60.2 109.292 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.983 HD13 ' N ' ' A' ' 7' ' ' PHE . 2.9 tm? -96.66 148.19 23.12 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 53.44 109.286 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 7' ' ' PHE . . . . . 0.983 ' N ' HD13 ' A' ' 6' ' ' LEU . 1.5 m-85 -124.73 120.79 32.8 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.533 1.145 . . . . 61.31 111.037 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 8' ' ' ARG . . . . . 0.533 ' HB3' HG23 ' A' ' 15' ' ' ILE . 9.1 mtt180 -89.08 114.28 25.5 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.49 1.118 . . . . 75.53 110.318 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.882 HG23 HD23 ' A' ' 85' ' ' LEU . 4.1 mm -95.25 103.08 14.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.453 1.096 . . . . 75.31 109.295 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 10' ' ' SER . . . . . 0.787 ' HB2' HD13 ' A' ' 15' ' ' ILE . 2.3 t -97.17 117.83 32.25 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.533 1.146 . . . . 75.02 110.035 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 11' ' ' TYR . . . . . 0.457 ' C ' ' N ' ' A' ' 13' ' ' SER . 47.1 t80 -132.18 178.7 6.6 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.492 1.12 . . . . 73.44 111.002 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 12' ' ' ASN . . . . . 0.449 ' N ' ' CD2' ' A' ' 11' ' ' TYR . 4.3 m120 -39.64 -29.36 0.06 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.538 1.149 . . . . 62.41 109.311 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 13' ' ' SER . . . . . 0.457 ' N ' ' C ' ' A' ' 11' ' ' TYR . 5.2 t -78.84 -92.34 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.486 1.116 . . . . 73.11 109.988 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 24.7 mt-10 -155.55 -174.36 4.93 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.54 1.15 . . . . 70.15 110.272 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.787 HD13 ' HB2' ' A' ' 10' ' ' SER . 1.8 mm -73.95 132.57 33.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.498 1.124 . . . . 61.13 109.329 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 16' ' ' PHE . . . . . 0.443 ' CB ' ' HB ' ' A' ' 9' ' ' ILE . 0.0 OUTLIER -107.36 -171.65 1.92 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.51 1.131 . . . . 63.35 111.01 -179.964 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 2.1 p -139.15 129.78 25.94 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.503 1.127 . . . . 72.13 110.39 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.568 HD22 ' N ' ' A' ' 19' ' ' LEU . 0.5 OUTLIER -142.96 109.25 5.3 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.527 1.142 . . . . 71.34 109.312 -179.987 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.568 ' N ' HD22 ' A' ' 18' ' ' LEU . 0.4 OUTLIER -73.54 115.36 12.84 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.488 1.117 . . . . 72.34 109.313 179.974 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.534 HG23 ' CE3' ' A' ' 24' ' ' TRP . 15.0 p -123.49 121.3 62.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.516 1.135 . . . . 65.31 109.312 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.566 ' HB2' ' CD1' ' A' ' 24' ' ' TRP . 71.2 mt-10 -62.19 168.62 3.25 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.493 1.121 . . . . 73.42 110.304 179.942 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 10.3 mtpt -89.69 15.48 9.54 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.507 1.129 . . . . 71.44 109.323 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.498 HG12 ' HB3' ' A' ' 21' ' ' GLU . 0.2 OUTLIER -115.02 -37.16 2.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.468 1.105 . . . . 71.21 109.281 179.994 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 24' ' ' TRP . . . . . 0.566 ' CD1' ' HB2' ' A' ' 21' ' ' GLU . 17.3 m0 -51.58 105.87 0.12 Allowed 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 107.99 -1.115 . . . . 65.45 107.99 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 19.4 p-10 -61.78 -179.79 0.21 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.527 1.142 . . . . 74.11 109.311 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' PHE . . . . . 0.4 ' CG ' ' N ' ' A' ' 27' ' ' ASP . 49.6 p90 -54.58 -38.78 67.12 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.499 1.124 . . . . 72.54 111.002 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 27' ' ' ASP . . . . . 0.4 ' N ' ' CG ' ' A' ' 26' ' ' PHE . 12.4 t0 -59.73 -64.73 0.84 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.548 1.155 . . . . 71.03 109.311 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 78.1 m-20 -54.1 -27.07 30.61 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.537 1.148 . . . . 63.03 109.321 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 1.037 HD21 HD21 ' A' ' 60' ' ' LEU . 1.3 tp -66.06 -60.96 2.32 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.525 1.141 . . . . 75.24 109.309 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.446 HD13 ' HA ' ' A' ' 30' ' ' ILE . 22.2 mm -51.28 -34.16 14.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.471 1.107 . . . . 62.22 109.318 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 11.1 mmt -80.32 -24.44 39.91 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.51 1.131 . . . . 73.03 111.012 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -67.95 -41.78 81.95 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.476 1.11 . . . . 73.02 109.284 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.613 ' O ' HG23 ' A' ' 37' ' ' ILE . 2.0 mp -77.64 -41.35 28.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.507 1.129 . . . . 54.43 109.287 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 1.5 m-80 -64.31 -12.94 46.83 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.509 1.131 . . . . 75.55 109.285 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 35.7 t -90.53 -29.82 17.64 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.533 1.146 . . . . 72.25 110.007 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 0.501 ' CD ' HD23 ' A' ' 18' ' ' LEU . 9.3 mptt -83.31 -35.88 24.89 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.524 1.14 . . . . 63.14 109.307 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.617 HD13 HD11 ' A' ' 45' ' ' ILE . 0.9 OUTLIER -86.05 -12.61 11.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.555 1.159 . . . . 71.15 109.286 180.0 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 38' ' ' SER . . . . . 0.44 ' C ' ' N ' ' A' ' 40' ' ' THR . 0.8 OUTLIER -59.05 -16.15 17.31 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.469 1.105 . . . . 62.41 110.004 179.955 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 6.9 p-10 -40.44 -30.09 0.1 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.504 1.127 . . . . 71.45 109.285 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 40' ' ' THR . . . . . 0.44 ' N ' ' C ' ' A' ' 38' ' ' SER . 69.1 p -86.32 -54.17 4.59 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.469 1.105 . . . . 72.55 110.418 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 14.9 t60 66.03 46.4 2.18 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.497 1.123 . . . . 71.23 109.545 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.41 HG13 ' N ' ' A' ' 43' ' ' SER . 24.5 pt -127.42 -45.26 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.457 1.098 . . . . 61.22 109.285 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 43' ' ' SER . . . . . 0.41 ' N ' HG13 ' A' ' 42' ' ' ILE . 7.4 t -168.1 93.95 0.62 Allowed Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.52 1.137 . . . . 71.02 110.023 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -162.14 0.14 Allowed 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.488 1.783 . . . . 61.12 111.011 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 45' ' ' ILE . . . . . 0.651 HG12 HD12 ' A' ' 85' ' ' LEU . 1.4 pp -132.09 104.93 8.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.521 1.138 . . . . 61.13 109.306 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 24.9 p -69.05 -14.12 62.84 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.466 1.104 . . . . 75.42 110.38 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 24.0 mtpp -123.25 132.95 54.21 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.492 1.12 . . . . 71.45 109.288 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.553 HG22 HD11 ' A' ' 85' ' ' LEU . 20.2 pt -122.85 160.06 25.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.474 1.109 . . . . 62.4 109.3 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 49' ' ' LYS . . . . . 0.552 ' NZ ' HG23 ' A' ' 59' ' ' VAL . 21.8 tttp -122.54 109.64 14.58 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.503 1.127 . . . . 72.51 109.286 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 50' ' ' TYR . . . . . 0.783 ' CE2' ' HB2' ' A' ' 69' ' ' ALA . 9.7 p90 -100.65 149.0 24.22 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.447 1.092 . . . . 63.41 111.009 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 51' ' ' GLN . . . . . 0.478 ' O ' ' CD2' ' A' ' 50' ' ' TYR . 44.5 tt0 -66.75 152.74 44.91 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.542 1.151 . . . . 70.34 110.3 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 16.1 t0 -114.05 -174.59 2.5 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.505 1.128 . . . . 72.11 109.323 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 53' ' ' GLU . . . . . 0.43 ' N ' ' SD ' ' A' ' 72' ' ' MET . 4.6 pt-20 -75.61 -19.6 59.12 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.514 1.134 . . . . 74.02 110.282 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -87.23 10.56 16.6 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.481 1.113 . . . . 75.01 109.27 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 65.04 12.7 55.78 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.541 1.15 . . . . 63.44 111.0 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -103.42 153.05 20.91 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.49 0.759 . . . . 75.13 109.313 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 5.1 m-85 -79.65 135.51 36.58 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.492 1.12 . . . . 72.42 111.049 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.486 HG23 ' O ' ' A' ' 50' ' ' TYR . 0.2 OUTLIER -134.48 144.27 35.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.522 1.139 . . . . 73.3 109.329 -180.0 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.552 HG23 ' NZ ' ' A' ' 49' ' ' LYS . 48.8 t -66.73 163.84 2.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.495 1.122 . . . . 74.45 109.338 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 1.037 HD21 HD21 ' A' ' 29' ' ' LEU . 0.3 OUTLIER -156.55 115.17 3.36 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.492 1.12 . . . . 72.52 109.311 -179.951 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 61' ' ' GLY . . . . . 0.701 ' N ' HD12 ' A' ' 60' ' ' LEU . . . -152.57 21.3 0.82 Allowed Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.485 1.115 . . . . 63.11 110.997 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 22.8 m -153.35 -176.41 5.79 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.532 0.784 . . . . 60.14 110.01 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 10.7 t0 -80.27 -26.5 38.91 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.529 1.143 . . . . 72.35 109.279 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 64' ' ' GLU . . . . . 0.491 ' O ' ' CG2' ' A' ' 68' ' ' VAL . 6.9 pt-20 -70.52 -14.64 62.6 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.536 1.147 . . . . 62.05 110.281 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -112.22 -14.86 13.31 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.498 1.124 . . . . 61.42 109.291 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 66' ' ' TRP . . . . . 0.518 ' CE2' ' HD3' ' A' ' 70' ' ' LYS . 0.1 OUTLIER -94.37 -23.3 17.84 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.503 1.127 . . . . 73.34 107.99 -179.996 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 8.1 t30 -95.99 -34.87 11.61 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.52 1.138 . . . . 65.43 109.279 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.491 ' CG2' ' O ' ' A' ' 64' ' ' GLU . 4.2 t -66.55 -22.68 30.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.556 1.16 . . . . 61.32 109.322 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 69' ' ' ALA . . . . . 0.783 ' HB2' ' CE2' ' A' ' 50' ' ' TYR . . . -90.3 -44.05 9.96 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.481 1.113 . . . . 72.44 109.311 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 70' ' ' LYS . . . . . 0.518 ' HD3' ' CE2' ' A' ' 66' ' ' TRP . 14.8 mtpp -60.45 -41.52 94.27 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.482 1.114 . . . . 73.02 109.292 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 47.7 mm-40 -70.45 -22.81 62.66 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.49 1.119 . . . . 74.02 110.3 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 72' ' ' MET . . . . . 0.43 ' SD ' ' N ' ' A' ' 53' ' ' GLU . 9.7 ttp -76.59 -29.09 56.42 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.51 1.131 . . . . 71.11 110.972 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.638 HD12 HD13 ' A' ' 5' ' ' ILE . 4.6 mt -62.29 -38.73 90.5 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.494 1.121 . . . . 61.31 109.33 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -65.19 -29.46 70.28 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.516 1.135 . . . . 54.24 109.312 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 64.9 mt-10 -84.82 -26.72 27.27 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.461 1.101 . . . . 62.54 110.314 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 3.1 m120 -90.79 -12.13 37.35 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.514 1.134 . . . . 71.3 109.33 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 33.1 m-80 62.01 43.43 9.01 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.56 1.163 . . . . 71.04 109.307 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 78' ' ' GLU . . . . . 0.408 ' CD ' HD22 ' A' ' 73' ' ' LEU . 13.9 pt-20 -121.23 163.97 17.68 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.503 1.127 . . . . 75.22 110.29 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 79' ' ' LYS . . . . . 0.68 ' H ' ' HZ3' ' A' ' 79' ' ' LYS . 0.0 OUTLIER -121.02 -1.66 9.81 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.467 1.104 . . . . 74.23 109.301 -179.977 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 32.4 p90 -122.11 173.72 7.39 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.495 1.122 . . . . 63.23 111.045 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.768 HD21 ' HB2' ' A' ' 50' ' ' TYR . 0.7 OUTLIER -134.09 173.76 11.23 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.509 1.131 . . . . 72.13 109.318 179.999 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 82' ' ' ASN . . . . . 0.671 ' H ' HD23 ' A' ' 81' ' ' LEU . 1.5 t30 -135.34 105.78 6.41 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.526 1.141 . . . . 63.31 109.305 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 83' ' ' ILE . . . . . 0.759 HD11 HD22 ' A' ' 81' ' ' LEU . 23.7 mm -104.86 146.68 11.76 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.515 1.135 . . . . 74.2 109.289 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 84' ' ' ARG . . . . . 0.646 ' C ' HD22 ' A' ' 85' ' ' LEU . 15.8 ttm-85 -118.92 140.11 50.53 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.498 1.124 . . . . 72.21 110.274 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.882 HD23 HG23 ' A' ' 9' ' ' ILE . 2.9 mm? -137.28 116.65 12.73 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.536 1.147 . . . . 72.33 109.32 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 7.8 t80 . . . . . 0 C--N 1.325 -0.489 0 O-C-N 124.531 1.144 . . . . 73.4 110.955 -179.962 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' PRO . . . . . 0.922 ' O ' HD12 ' A' ' 2' ' ' LEU . 18.3 Cg_endo . . . . . 0 N--CA 1.453 -0.86 0 N-CA-C 111.007 -0.42 . . . . 72.01 111.007 . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 2' ' ' LEU . . . . . 0.922 HD12 ' O ' ' A' ' 1' ' ' PRO . 0.5 OUTLIER 40.03 30.02 0.06 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.542 1.151 . . . . 75.51 109.313 179.954 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 3' ' ' GLY . . . . . 0.443 ' N ' ' C ' ' A' ' 1' ' ' PRO . . . -116.12 41.0 2.24 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.488 1.117 . . . . 71.3 110.981 -179.957 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 4' ' ' SER . . . . . 0.406 ' HB2' HD11 ' A' ' 19' ' ' LEU . 0.1 OUTLIER -137.94 151.25 47.78 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.505 0.767 . . . . 72.14 109.971 -179.999 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.438 HG13 ' CE ' ' A' ' 22' ' ' LYS . 71.0 mt -134.13 155.91 40.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.503 1.127 . . . . 72.3 109.282 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -102.63 154.96 18.63 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.481 1.113 . . . . 73.2 109.328 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 7' ' ' PHE . . . . . 0.595 ' CE2' HD11 ' A' ' 29' ' ' LEU . 0.3 OUTLIER -142.37 107.59 4.98 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.537 1.148 . . . . 63.21 111.028 179.98 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 8' ' ' ARG . . . . . 0.431 ' HG2' HG22 ' A' ' 17' ' ' THR . 17.2 mtp180 -88.41 120.92 30.24 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.502 1.126 . . . . 74.25 110.318 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.522 HG12 HG23 ' A' ' 33' ' ' ILE . 3.8 mp -101.3 94.34 3.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.556 1.16 . . . . 73.52 109.286 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 10' ' ' SER . . . . . 0.936 ' OG ' HG23 ' A' ' 15' ' ' ILE . 19.1 m -98.39 122.09 41.14 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.506 1.129 . . . . 75.54 109.963 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 11' ' ' TYR . . . . . 0.551 ' CG ' ' N ' ' A' ' 12' ' ' ASN . 59.9 t80 -135.84 174.42 10.64 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.552 1.157 . . . . 73.23 111.002 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 12' ' ' ASN . . . . . 0.551 ' N ' ' CG ' ' A' ' 11' ' ' TYR . 53.7 t-20 -38.46 -29.81 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.523 1.139 . . . . 60.42 109.297 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 13' ' ' SER . . . . . 0.482 ' N ' ' O ' ' A' ' 11' ' ' TYR . 25.4 m -69.81 -89.76 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.47 1.106 . . . . 64.44 109.983 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 25.4 mt-10 -150.03 -170.06 3.54 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.562 1.164 . . . . 61.54 110.293 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.936 HG23 ' OG ' ' A' ' 10' ' ' SER . 1.4 mp -106.79 122.68 61.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.474 1.109 . . . . 44.15 109.319 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 16' ' ' PHE . . . . . 0.411 ' O ' ' HA ' ' A' ' 8' ' ' ARG . 24.6 m-85 -119.41 -176.91 3.24 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.589 1.18 . . . . 75.12 111.03 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.431 HG22 ' HG2' ' A' ' 8' ' ' ARG . 3.1 p -130.29 154.98 47.06 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.509 1.13 . . . . 73.12 110.388 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.818 HD11 ' HB1' ' A' ' 32' ' ' ALA . 2.9 tm? -154.29 105.79 2.72 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.527 1.142 . . . . 73.54 109.265 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.496 ' CD1' ' C ' ' A' ' 19' ' ' LEU . 0.2 OUTLIER -71.89 105.96 4.03 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.473 1.108 . . . . 73.52 109.352 179.951 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.666 HG23 ' CE3' ' A' ' 24' ' ' TRP . 13.3 p -107.5 124.04 63.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.531 1.144 . . . . 74.15 109.271 -179.95 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.558 ' HB2' ' CD1' ' A' ' 24' ' ' TRP . 21.4 mt-10 -61.86 168.92 2.81 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.47 1.106 . . . . 72.24 110.299 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 22' ' ' LYS . . . . . 0.438 ' CE ' HG13 ' A' ' 5' ' ' ILE . 70.4 mttt -87.79 11.94 14.19 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.468 1.105 . . . . 73.34 109.289 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.494 HG12 ' HB3' ' A' ' 21' ' ' GLU . 0.2 OUTLIER -111.85 -32.25 2.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.473 1.108 . . . . 53.34 109.345 179.996 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 24' ' ' TRP . . . . . 0.666 ' CE3' HG23 ' A' ' 20' ' ' VAL . 16.2 m0 -58.87 89.17 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.522 1.139 . . . . 75.34 108.016 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 25' ' ' ASN . . . . . 0.513 ' HA ' ' CE2' ' A' ' 66' ' ' TRP . 10.7 p-10 -52.86 177.47 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.485 1.115 . . . . 64.42 109.347 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 26' ' ' PHE . . . . . 0.469 ' CG ' ' N ' ' A' ' 27' ' ' ASP . 10.5 p90 -46.83 -38.13 9.78 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.502 1.126 . . . . 64.54 110.954 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 27' ' ' ASP . . . . . 0.469 ' N ' ' CG ' ' A' ' 26' ' ' PHE . 2.6 t0 -61.21 -71.69 0.14 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.509 1.131 . . . . 64.44 109.274 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -47.39 -29.61 2.74 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.477 1.111 . . . . 72.34 109.293 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.595 HD11 ' CE2' ' A' ' 7' ' ' PHE . 1.7 tp -61.11 -55.26 34.51 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.459 1.1 . . . . 42.04 109.309 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.473 HD13 ' HA ' ' A' ' 30' ' ' ILE . 15.3 mm -57.2 -43.85 82.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.516 1.135 . . . . 73.0 109.277 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 26.0 mtp -66.54 -24.39 66.36 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.48 1.112 . . . . 74.14 111.049 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 32' ' ' ALA . . . . . 0.818 ' HB1' HD11 ' A' ' 18' ' ' LEU . . . -65.43 -54.25 31.32 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.526 1.141 . . . . 71.11 109.289 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.522 HG23 HG12 ' A' ' 9' ' ' ILE . 4.3 mp -67.0 -46.65 84.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.128 . . . . 75.43 109.301 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 1.3 m-80 -53.15 -21.34 4.86 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.486 1.116 . . . . 71.12 109.31 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 2.3 t -73.21 -37.27 66.49 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.442 1.089 . . . . 74.31 110.033 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 0.584 ' CE ' HD23 ' A' ' 18' ' ' LEU . 2.0 mptp? -74.15 -45.39 49.05 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.501 1.126 . . . . 75.44 109.308 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.79 HD13 HD11 ' A' ' 45' ' ' ILE . 0.3 OUTLIER -82.06 -3.46 7.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.469 1.106 . . . . 74.42 109.308 179.967 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 38' ' ' SER . . . . . 0.418 ' C ' ' N ' ' A' ' 40' ' ' THR . 41.7 t -46.53 -25.12 0.63 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.506 1.129 . . . . 72.04 110.009 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 39' ' ' ASN . . . . . 0.401 ' N ' ' C ' ' A' ' 37' ' ' ILE . 31.5 t30 -40.3 -31.94 0.16 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.563 1.165 . . . . 62.03 109.286 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 40' ' ' THR . . . . . 0.418 ' N ' ' C ' ' A' ' 38' ' ' SER . 0.0 OUTLIER -113.77 131.23 56.29 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.114 . . . . 73.54 110.423 -179.984 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -120.77 40.03 3.63 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.499 1.124 . . . . 63.01 109.628 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 6.9 pt -106.58 -35.91 3.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.482 1.114 . . . . 71.31 109.258 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 30.9 t 179.63 92.96 0.18 Allowed Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.51 1.131 . . . . 73.52 110.021 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.93 -162.26 0.14 Allowed 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.489 1.783 . . . . 74.14 111.03 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 45' ' ' ILE . . . . . 1.014 HG21 HD11 ' A' ' 85' ' ' LEU . 1.5 pp -130.83 98.43 3.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.488 1.118 . . . . 71.05 109.27 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 46' ' ' THR . . . . . 0.44 ' O ' HD12 ' A' ' 30' ' ' ILE . 16.3 p -73.47 -4.98 37.11 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.492 1.12 . . . . 74.21 110.379 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 7.9 mmmm -121.4 129.82 53.24 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.461 1.1 . . . . 74.11 109.344 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.724 ' O ' HD12 ' A' ' 48' ' ' ILE . 1.9 pp -128.48 139.01 53.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.534 1.146 . . . . 63.41 109.297 -179.953 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 17.9 ttmt -93.22 112.59 24.57 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.522 1.139 . . . . 65.43 109.31 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 50' ' ' TYR . . . . . 0.758 ' HA ' HD13 ' A' ' 83' ' ' ILE . 8.0 p90 -103.08 147.23 27.24 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.536 1.148 . . . . 74.22 111.016 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 51.5 tt0 -76.67 145.83 38.51 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.513 1.133 . . . . 73.11 110.327 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 14.2 t0 -113.53 -171.57 1.91 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.49 1.119 . . . . 74.22 109.304 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 53' ' ' GLU . . . . . 0.451 ' HB3' ' CG ' ' A' ' 72' ' ' MET . 2.4 pp20? -74.02 -18.32 60.86 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.509 1.131 . . . . 64.32 110.264 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -84.34 6.54 22.66 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.466 1.104 . . . . 64.54 109.302 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 63.04 12.04 41.45 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.492 1.12 . . . . 53.44 110.977 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -100.4 153.71 19.11 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.557 0.798 . . . . 71.34 109.273 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 39.5 m-85 -90.45 120.9 31.95 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 64.34 111.001 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.688 HG23 ' CE1' ' A' ' 50' ' ' TYR . 0.3 OUTLIER -122.06 148.67 25.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.548 1.155 . . . . 64.44 109.284 -179.999 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 13.1 p -72.95 149.07 8.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.464 1.103 . . . . 53.14 109.279 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.921 HD12 ' N ' ' A' ' 61' ' ' GLY . 0.3 OUTLIER -133.39 120.29 20.76 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.479 1.112 . . . . 64.33 109.326 179.997 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 61' ' ' GLY . . . . . 0.921 ' N ' HD12 ' A' ' 60' ' ' LEU . . . -163.31 27.75 0.23 Allowed Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.541 1.151 . . . . 31.23 110.964 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 72.1 m -150.67 167.75 26.41 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.522 0.778 . . . . 62.44 110.001 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 63' ' ' ASP . . . . . 0.444 ' O ' ' N ' ' A' ' 67' ' ' ASN . 1.2 p-10 -73.38 -29.83 62.87 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.478 1.111 . . . . 71.2 109.267 -179.937 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 64' ' ' GLU . . . . . 0.629 ' O ' HG23 ' A' ' 68' ' ' VAL . 2.6 tt0 -67.31 -38.09 84.41 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.506 1.129 . . . . 64.3 110.324 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 10.2 m-20 -85.7 -11.89 52.56 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.506 1.129 . . . . 75.12 109.344 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 66' ' ' TRP . . . . . 0.592 ' CZ3' ' OD1' ' A' ' 67' ' ' ASN . 5.8 t90 -97.62 -22.62 16.38 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.523 1.139 . . . . 75.13 108.02 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 67' ' ' ASN . . . . . 0.592 ' OD1' ' CZ3' ' A' ' 66' ' ' TRP . 42.1 m-20 -94.87 -46.87 6.68 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.525 1.14 . . . . 71.54 109.33 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.629 HG23 ' O ' ' A' ' 64' ' ' GLU . 86.1 t -62.96 -36.06 74.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.545 1.153 . . . . 71.05 109.271 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 69' ' ' ALA . . . . . 0.473 ' HB2' ' CE2' ' A' ' 50' ' ' TYR . . . -70.1 -49.96 45.61 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.556 1.16 . . . . 55.44 109.284 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 70' ' ' LYS . . . . . 0.438 ' HB3' ' HZ2' ' A' ' 70' ' ' LYS . 14.0 mtpp -56.33 -44.17 79.73 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.451 1.094 . . . . 74.33 109.308 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 16.7 mt-10 -66.67 -24.26 66.25 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.527 1.142 . . . . 65.01 110.334 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 72' ' ' MET . . . . . 0.451 ' CG ' ' HB3' ' A' ' 53' ' ' GLU . 4.1 tpt -75.11 -16.12 60.56 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.556 1.16 . . . . 55.14 111.001 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.549 HD21 HD23 ' A' ' 81' ' ' LEU . 3.2 mt -65.5 -52.41 52.97 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.458 1.098 . . . . 74.23 109.286 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -57.62 -20.81 35.51 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.5 1.125 . . . . 61.01 109.27 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 13.0 mm-40 -96.28 -26.23 15.48 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.449 1.093 . . . . 74.35 110.328 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 76' ' ' ASN . . . . . 0.433 ' N ' ' O ' ' A' ' 72' ' ' MET . 93.6 m-20 -82.12 -11.53 58.7 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.444 1.09 . . . . 74.12 109.263 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 14.7 m-80 60.39 35.53 20.52 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.473 1.108 . . . . 51.51 109.274 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 78' ' ' GLU . . . . . 0.436 ' OE1' HD22 ' A' ' 73' ' ' LEU . 9.7 pt-20 -118.08 161.2 20.22 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.491 1.119 . . . . 61.53 110.282 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -119.98 19.0 12.42 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.568 1.167 . . . . 75.23 109.298 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 7.7 p90 -154.49 165.99 34.7 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.477 1.111 . . . . 73.45 110.985 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.858 HD13 ' N ' ' A' ' 82' ' ' ASN . 1.8 tm? -118.47 160.91 20.88 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.504 1.127 . . . . 75.54 109.284 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 82' ' ' ASN . . . . . 0.858 ' N ' HD13 ' A' ' 81' ' ' LEU . 8.1 t-20 -129.25 136.06 49.61 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.484 1.115 . . . . 64.04 109.351 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 83' ' ' ILE . . . . . 0.758 HD13 ' HA ' ' A' ' 50' ' ' TYR . 46.2 mm -126.88 157.97 37.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.503 1.127 . . . . 71.24 109.265 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 13.1 ttm180 -138.71 128.99 25.72 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.498 1.124 . . . . 75.13 110.313 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 1.014 HD11 HG21 ' A' ' 45' ' ' ILE . 0.1 OUTLIER -113.94 139.99 48.76 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.48 1.112 . . . . 63.15 109.343 179.967 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 86' ' ' TYR . . . . . 0.594 ' H ' HD13 ' A' ' 85' ' ' LEU . 9.1 p90 . . . . . 0 C--N 1.324 -0.5 0 O-C-N 124.5 1.125 . . . . 74.51 111.033 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 N--CA 1.453 -0.884 0 N-CA-C 110.998 -0.424 . . . . 72.24 110.998 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 3.6 pp -130.5 141.46 50.5 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.474 1.109 . . . . 64.44 109.304 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 104.47 17.8 14.5 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.478 1.111 . . . . 60.33 111.001 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' SER . . . . . 0.531 ' HB2' HD11 ' A' ' 19' ' ' LEU . 0.4 OUTLIER -138.97 -178.48 5.35 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.486 0.756 . . . . 61.4 110.029 179.973 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.526 ' CG2' ' CE1' ' A' ' 7' ' ' PHE . 45.5 mt -132.69 152.9 37.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.435 1.084 . . . . 44.12 109.282 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.986 HD13 ' N ' ' A' ' 7' ' ' PHE . 2.6 tm? -122.87 148.75 45.06 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.484 1.115 . . . . 71.42 109.269 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 7' ' ' PHE . . . . . 1.077 ' CE2' HG11 ' A' ' 20' ' ' VAL . 22.8 m-85 -131.72 131.18 42.83 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.514 1.134 . . . . 73.04 110.998 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 8' ' ' ARG . . . . . 0.44 ' HB3' HG23 ' A' ' 15' ' ' ILE . 54.9 mtp180 -95.04 71.89 3.37 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.502 1.126 . . . . 70.42 110.273 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.658 ' H ' HD12 ' A' ' 9' ' ' ILE . 5.1 mp -60.02 124.04 13.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.485 1.116 . . . . 74.51 109.295 179.938 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 10' ' ' SER . . . . . 0.506 ' O ' ' CB ' ' A' ' 85' ' ' LEU . 1.4 p -99.64 134.47 42.48 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.479 1.112 . . . . 74.13 110.003 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 6.5 t80 -160.27 130.97 5.55 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.575 1.172 . . . . 75.43 111.012 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' ASN . . . . . 0.583 ' O ' ' CB ' ' A' ' 13' ' ' SER . 2.5 m-20 64.44 11.89 6.9 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.521 1.138 . . . . 65.13 109.26 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 13' ' ' SER . . . . . 0.583 ' CB ' ' O ' ' A' ' 12' ' ' ASN . 1.2 t 91.62 12.48 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.562 1.164 . . . . 55.32 109.966 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 14' ' ' GLU . . . . . 0.819 ' C ' HD12 ' A' ' 15' ' ' ILE . 37.8 mm-40 -102.71 -179.26 3.91 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.492 1.12 . . . . 73.33 110.313 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.819 HD12 ' C ' ' A' ' 14' ' ' GLU . 3.0 mp -141.16 117.24 6.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.523 1.139 . . . . 71.53 109.293 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 16' ' ' PHE . . . . . 0.48 ' CZ ' ' HB2' ' A' ' 14' ' ' GLU . 3.0 m-85 -117.24 122.68 44.66 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.455 1.097 . . . . 74.41 111.002 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.631 ' HB ' HD21 ' A' ' 6' ' ' LEU . 2.2 p -81.03 129.23 34.44 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.531 1.144 . . . . 72.55 110.375 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.605 HD23 ' CD ' ' A' ' 36' ' ' LYS . 1.5 tm? -124.82 101.79 7.25 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.483 1.114 . . . . 74.14 109.262 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.531 HD11 ' HB2' ' A' ' 4' ' ' SER . 0.3 OUTLIER -71.54 105.8 3.76 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.513 1.133 . . . . 62.52 109.286 -179.999 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 1.077 HG11 ' CE2' ' A' ' 7' ' ' PHE . 7.2 p -106.43 147.64 11.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.485 1.116 . . . . 61.33 109.308 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.565 ' HB2' ' CD1' ' A' ' 24' ' ' TRP . 2.2 mm-40 -86.98 164.42 16.52 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.502 1.126 . . . . 74.55 110.33 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 3.3 mtpt -90.99 18.3 6.86 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.522 1.139 . . . . 75.53 109.312 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.543 HG22 ' O ' ' A' ' 23' ' ' VAL . 0.7 OUTLIER -126.07 3.36 4.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.458 1.099 . . . . 74.4 109.291 -179.97 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 24' ' ' TRP . . . . . 0.565 ' CD1' ' HB2' ' A' ' 21' ' ' GLU . 31.7 m0 -90.06 131.69 35.79 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.496 1.122 . . . . 74.32 108.025 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 20.3 p-10 -81.35 -175.47 5.49 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.517 1.136 . . . . 54.04 109.27 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 26' ' ' PHE . . . . . 0.5 ' CG ' ' N ' ' A' ' 27' ' ' ASP . 8.6 p90 -61.79 -39.82 93.07 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.506 1.129 . . . . 74.2 110.988 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 27' ' ' ASP . . . . . 0.5 ' N ' ' CG ' ' A' ' 26' ' ' PHE . 4.7 t70 -62.35 -46.01 90.63 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 72.34 109.253 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 16.4 m-20 -66.66 -35.96 81.42 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.525 1.141 . . . . 64.35 109.323 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.658 HD21 HD21 ' A' ' 60' ' ' LEU . 10.6 tp -59.05 -56.51 21.35 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.567 1.167 . . . . 75.43 109.287 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.467 HD13 ' HA ' ' A' ' 30' ' ' ILE . 25.9 mm -56.06 -49.23 76.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.539 1.149 . . . . 71.4 109.311 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 8.2 mmt -60.73 -24.74 65.93 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.473 1.108 . . . . 65.04 110.991 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 32' ' ' ALA . . . . . 0.602 ' HB1' HD11 ' A' ' 18' ' ' LEU . . . -66.97 -49.24 66.04 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.526 1.141 . . . . 51.21 109.268 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.639 ' O ' HG23 ' A' ' 37' ' ' ILE . 2.9 mp -69.78 -40.6 79.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.485 1.116 . . . . 75.41 109.312 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 1.3 m-80 -62.78 -15.91 55.74 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.131 . . . . 74.13 109.319 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 1.6 t -86.4 -41.8 14.17 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.517 1.136 . . . . 74.53 110.023 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 0.605 ' CD ' HD23 ' A' ' 18' ' ' LEU . 3.1 mptt -69.36 -38.36 78.04 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.504 1.127 . . . . 53.01 109.321 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.639 HG23 ' O ' ' A' ' 33' ' ' ILE . 0.8 OUTLIER -88.99 -5.49 10.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.493 1.12 . . . . 64.4 109.294 179.994 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 38' ' ' SER . . . . . 0.439 ' O ' ' CD2' ' A' ' 41' ' ' HIS . 41.5 t -39.44 -29.99 0.06 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.53 1.144 . . . . 72.34 110.011 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 39' ' ' ASN . . . . . 0.432 ' N ' ' O ' ' A' ' 37' ' ' ILE . 13.7 t-20 -41.91 -50.66 4.48 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.436 1.085 . . . . 65.14 109.305 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 59.7 p -70.9 117.89 12.97 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.475 1.109 . . . . 45.41 110.435 179.943 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 41' ' ' HIS . . . . . 0.439 ' CD2' ' O ' ' A' ' 38' ' ' SER . 28.6 m170 -109.35 37.41 2.61 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.52 1.137 . . . . 75.21 109.649 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.7 HD12 ' HB3' ' A' ' 43' ' ' SER . 1.3 pp -111.9 -38.31 3.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.516 1.135 . . . . 71.34 109.285 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 43' ' ' SER . . . . . 0.7 ' HB3' HD12 ' A' ' 42' ' ' ILE . 5.2 t 171.78 117.03 0.06 OUTLIER Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.513 1.133 . . . . 71.24 109.977 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -162.18 0.14 Allowed 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.446 1.761 . . . . 75.24 110.977 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 45' ' ' ILE . . . . . 0.689 HD12 ' O ' ' A' ' 45' ' ' ILE . 1.4 pp -135.11 125.5 44.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.501 1.126 . . . . 74.25 109.301 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 37.3 p -104.73 41.94 1.27 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.531 1.144 . . . . 54.05 110.417 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 9.1 ptmm? -174.52 110.16 0.14 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.493 1.12 . . . . 71.24 109.319 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.506 HD12 HD12 ' A' ' 83' ' ' ILE . 5.9 pt -106.95 130.74 58.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.518 1.136 . . . . 63.21 109.336 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 31.6 mttt -85.04 113.16 21.25 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.492 1.12 . . . . 73.42 109.315 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 50' ' ' TYR . . . . . 0.671 ' CE1' HG23 ' A' ' 58' ' ' VAL . 8.7 p90 -107.29 147.22 30.53 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.539 1.149 . . . . 74.13 110.981 -179.949 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 38.1 tt0 -72.01 152.24 42.59 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.534 1.146 . . . . 63.52 110.322 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 14.6 t0 -107.27 177.32 4.88 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.485 1.116 . . . . 60.43 109.292 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 1.2 pm0 -69.3 -20.01 63.89 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.521 1.138 . . . . 71.14 110.299 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -88.4 11.75 16.05 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.501 1.126 . . . . 73.03 109.315 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 68.25 10.91 60.64 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.461 1.1 . . . . 63.01 110.99 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 14.0 m-20 -88.99 176.88 6.82 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.491 0.76 . . . . 74.13 109.295 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 57' ' ' PHE . . . . . 0.476 ' CD1' ' N ' ' A' ' 57' ' ' PHE . 1.6 p90 -116.17 124.17 49.63 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.121 . . . . 74.13 111.039 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.671 HG23 ' CE1' ' A' ' 50' ' ' TYR . 0.1 OUTLIER -126.45 158.6 36.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.533 1.145 . . . . 71.01 109.261 179.984 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 14.5 p -84.46 145.37 8.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.47 1.106 . . . . 51.0 109.253 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.688 HD12 ' N ' ' A' ' 61' ' ' GLY . 0.7 OUTLIER -135.62 119.02 16.79 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.467 1.104 . . . . 43.43 109.301 179.994 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 61' ' ' GLY . . . . . 0.688 ' N ' HD12 ' A' ' 60' ' ' LEU . . . -158.4 25.02 0.38 Allowed Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.469 1.106 . . . . 73.22 110.994 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 1.8 m -153.81 170.05 21.9 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.494 0.761 . . . . 51.35 110.008 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -69.44 -31.28 69.5 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.502 1.126 . . . . 70.15 109.303 -179.95 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 10.5 tt0 -72.92 -13.24 61.22 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.511 1.132 . . . . 73.21 110.34 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 65' ' ' ASP . . . . . 0.489 ' C ' HD13 ' A' ' 60' ' ' LEU . 1.1 m-20 -110.32 -8.19 14.74 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 71.52 109.326 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 66' ' ' TRP . . . . . 0.567 ' CH2' ' HD3' ' A' ' 70' ' ' LYS . 7.8 t-105 -102.91 -15.27 16.22 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.496 1.122 . . . . 64.15 107.997 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 67' ' ' ASN . . . . . 0.581 ' OD1' HG23 ' A' ' 68' ' ' VAL . 0.5 OUTLIER -101.51 -37.41 8.42 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.456 1.098 . . . . 73.52 109.323 -179.996 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.581 HG23 ' OD1' ' A' ' 67' ' ' ASN . 20.9 t -78.55 -7.85 10.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.458 1.099 . . . . 42.51 109.31 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 69' ' ' ALA . . . . . 0.543 ' CB ' ' CE2' ' A' ' 50' ' ' TYR . . . -100.1 -30.93 11.68 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.469 1.105 . . . . 52.13 109.299 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 70' ' ' LYS . . . . . 0.567 ' HD3' ' CH2' ' A' ' 66' ' ' TRP . 17.5 mtmm -66.18 -41.72 89.87 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.486 1.116 . . . . 62.34 109.264 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 57.9 mt-10 -49.76 -35.83 23.8 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.511 1.132 . . . . 54.21 110.272 -180.0 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 2.1 ttt -61.69 -48.01 82.72 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.482 1.113 . . . . 72.34 111.037 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.454 HD21 HD12 ' A' ' 81' ' ' LEU . 52.8 mt -54.59 -44.56 73.15 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.508 1.13 . . . . 75.22 109.33 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -61.45 -34.89 76.19 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.469 1.106 . . . . 74.41 109.272 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 60.9 mt-10 -78.45 -25.57 45.94 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.496 1.123 . . . . 75.23 110.29 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 3.0 m120 -89.94 -15.17 32.58 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.436 1.085 . . . . 71.34 109.277 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 77' ' ' ASN . . . . . 0.414 ' N ' ' O ' ' A' ' 73' ' ' LEU . 37.5 m-80 57.13 40.13 28.5 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.511 1.132 . . . . 75.4 109.324 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 78' ' ' GLU . . . . . 0.442 ' HB2' ' CD1' ' A' ' 80' ' ' PHE . 18.5 pt-20 -118.72 161.08 20.71 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.449 1.093 . . . . 63.43 110.365 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 2.2 ttpm? -111.85 16.51 20.38 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.517 1.135 . . . . 73.42 109.288 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 80' ' ' PHE . . . . . 0.442 ' CD1' ' HB2' ' A' ' 78' ' ' GLU . 12.6 p90 -142.21 150.67 41.3 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.508 1.13 . . . . 75.34 110.985 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.74 HD23 ' N ' ' A' ' 82' ' ' ASN . 7.4 tt -130.62 159.85 35.97 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.518 1.136 . . . . 61.14 109.301 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 82' ' ' ASN . . . . . 0.74 ' N ' HD23 ' A' ' 81' ' ' LEU . 1.4 t30 -99.49 116.68 32.19 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.486 1.117 . . . . 71.35 109.29 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 83' ' ' ILE . . . . . 0.673 HD11 HD22 ' A' ' 81' ' ' LEU . 46.9 mm -117.18 138.36 48.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.499 1.125 . . . . 75.05 109.298 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 84' ' ' ARG . . . . . 0.421 ' CG ' ' N ' ' A' ' 85' ' ' LEU . 56.9 ttt-85 -111.63 154.96 24.12 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.481 1.113 . . . . 73.43 110.298 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.612 HD21 HG12 ' A' ' 45' ' ' ILE . 5.3 tp -153.74 115.74 4.29 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.478 1.111 . . . . 71.14 109.289 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 86' ' ' TYR . . . . . 0.493 ' CG ' ' O ' ' A' ' 86' ' ' TYR . 10.9 p90 . . . . . 0 C--N 1.325 -0.5 0 O-C-N 124.525 1.141 . . . . 74.25 111.022 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 N--CA 1.452 -0.927 0 N-CA-C 111.009 -0.419 . . . . 62.04 111.009 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 5.4 mp -78.88 -23.13 45.07 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.48 1.113 . . . . 54.0 109.304 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -106.14 79.6 0.27 Allowed Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.539 1.149 . . . . 72.03 111.031 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 1.3 p -128.88 171.37 12.36 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.516 0.774 . . . . 43.53 110.012 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.721 ' O ' HD22 ' A' ' 19' ' ' LEU . 28.2 mt -143.05 164.06 16.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.458 1.099 . . . . 74.21 109.307 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.842 HD13 ' N ' ' A' ' 7' ' ' PHE . 3.3 tm? -124.84 147.92 48.5 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.482 1.114 . . . . 74.55 109.328 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 7' ' ' PHE . . . . . 0.842 ' N ' HD13 ' A' ' 6' ' ' LEU . 11.3 m-85 -147.06 116.5 7.03 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.468 1.105 . . . . 75.22 111.002 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 8' ' ' ARG . . . . . 0.594 ' HG2' HG22 ' A' ' 17' ' ' THR . 44.8 mtt180 -89.35 99.75 12.68 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.5 1.125 . . . . 70.41 110.271 -179.952 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.974 HG23 HD23 ' A' ' 85' ' ' LEU . 4.6 mp -81.65 112.14 19.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.479 1.112 . . . . 52.44 109.315 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 10' ' ' SER . . . . . 0.778 ' HB3' HG23 ' A' ' 15' ' ' ILE . 11.7 p -119.11 125.87 50.29 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.503 1.127 . . . . 64.11 110.015 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 11' ' ' TYR . . . . . 0.563 ' CG ' ' N ' ' A' ' 12' ' ' ASN . 61.4 t80 -134.36 174.74 10.19 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.493 1.121 . . . . 75.13 111.018 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 12' ' ' ASN . . . . . 0.563 ' N ' ' CG ' ' A' ' 11' ' ' TYR . 51.1 t30 -38.1 -30.19 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.469 1.106 . . . . 74.44 109.308 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 13' ' ' SER . . . . . 0.483 ' N ' ' O ' ' A' ' 11' ' ' TYR . 3.8 m -69.56 -90.82 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.493 1.121 . . . . 72.43 109.981 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 37.3 mt-10 -146.54 -169.75 3.35 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.521 1.138 . . . . 73.32 110.316 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.842 ' N ' HD12 ' A' ' 15' ' ' ILE . 1.4 mp -110.52 122.92 65.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.493 1.121 . . . . 64.25 109.277 -179.947 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 16' ' ' PHE . . . . . 0.412 ' O ' ' HA ' ' A' ' 8' ' ' ARG . 29.2 m-85 -121.12 178.77 4.62 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.507 1.129 . . . . 75.1 111.005 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.594 HG22 ' HG2' ' A' ' 8' ' ' ARG . 4.7 p -129.88 135.02 47.88 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.472 1.107 . . . . 55.12 110.396 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.607 HD22 ' N ' ' A' ' 19' ' ' LEU . 1.5 tm? -131.82 122.26 25.46 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.472 1.108 . . . . 64.4 109.329 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.721 HD22 ' O ' ' A' ' 5' ' ' ILE . 0.8 OUTLIER -93.69 113.6 25.72 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.473 1.108 . . . . 75.23 109.272 -179.961 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.617 HG23 ' CE3' ' A' ' 24' ' ' TRP . 8.8 p -109.67 148.17 13.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.498 1.124 . . . . 72.34 109.267 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.571 ' HB2' ' CD1' ' A' ' 24' ' ' TRP . 3.7 mm-40 -79.59 171.58 14.95 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.507 1.13 . . . . 63.15 110.32 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 85.6 mttt -91.83 16.46 10.83 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.575 1.172 . . . . 75.14 109.3 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.499 ' O ' ' CG2' ' A' ' 23' ' ' VAL . 0.2 OUTLIER -123.29 0.64 6.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.477 1.111 . . . . 74.42 109.316 -179.982 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 24' ' ' TRP . . . . . 0.617 ' CE3' HG23 ' A' ' 20' ' ' VAL . 18.4 m0 -93.07 92.73 7.94 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.504 1.127 . . . . 74.14 107.977 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 25' ' ' ASN . . . . . 0.413 ' OD1' ' N ' ' A' ' 25' ' ' ASN . 7.3 p-10 -52.61 177.3 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.503 1.127 . . . . 74.43 109.278 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 13.2 p90 -52.98 -32.32 45.59 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.525 1.141 . . . . 63.21 110.985 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 4.8 t0 -65.19 -66.58 0.53 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.5 1.125 . . . . 75.34 109.269 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 28' ' ' ASP . . . . . 0.558 ' O ' ' HB2' ' A' ' 32' ' ' ALA . 17.3 t0 -55.19 -27.05 43.07 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.438 1.086 . . . . 75.22 109.274 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.583 ' O ' HD12 ' A' ' 33' ' ' ILE . 0.9 OUTLIER -63.02 -46.01 89.63 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.507 1.129 . . . . 63.43 109.305 179.974 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.436 HD13 ' HA ' ' A' ' 30' ' ' ILE . 14.2 mm -69.44 -50.98 46.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.479 1.112 . . . . 70.51 109.29 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 39.2 mmm -63.17 -16.32 59.71 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.43 1.081 . . . . 61.21 111.003 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 32' ' ' ALA . . . . . 0.558 ' HB2' ' O ' ' A' ' 28' ' ' ASP . . . -76.04 -50.62 14.27 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.518 1.136 . . . . 60.33 109.234 -179.938 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.729 ' CG2' HD11 ' A' ' 45' ' ' ILE . 3.5 mp -70.38 -39.97 77.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.545 1.153 . . . . 72.43 109.268 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -50.24 -24.05 2.63 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.554 1.158 . . . . 73.32 109.301 -179.953 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 35' ' ' SER . . . . . 0.424 ' O ' ' CB ' ' A' ' 38' ' ' SER . 4.4 m -83.5 -43.61 15.59 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.121 . . . . 74.4 109.991 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 0.577 ' HE2' HD23 ' A' ' 18' ' ' LEU . 3.6 mptt -61.46 -35.56 77.96 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.555 1.159 . . . . 74.13 109.315 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.425 ' CD1' HG12 ' A' ' 45' ' ' ILE . 2.6 pt -82.04 -13.11 12.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.556 1.16 . . . . 60.15 109.349 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 38' ' ' SER . . . . . 0.424 ' CB ' ' O ' ' A' ' 35' ' ' SER . 6.4 t -46.33 -25.25 0.6 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.482 1.114 . . . . 73.32 109.972 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 6.7 t30 -40.36 -33.94 0.29 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.512 1.132 . . . . 64.4 109.276 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 40' ' ' THR . . . . . 0.533 ' O ' HG23 ' A' ' 42' ' ' ILE . 14.8 p -88.6 -54.91 3.94 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.507 1.129 . . . . 72.3 110.402 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 11.6 t-160 60.81 37.24 18.81 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.473 1.108 . . . . 74.44 109.61 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.533 HG23 ' O ' ' A' ' 40' ' ' THR . 11.7 pt -130.29 -46.15 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.508 1.13 . . . . 70.11 109.276 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 12.6 t -147.75 95.26 4.26 Favored Pre-proline 0 C--N 1.324 -0.514 0 O-C-N 124.494 1.121 . . . . 71.3 109.99 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 -162.19 0.14 Allowed 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.479 1.779 . . . . 73.2 110.987 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 45' ' ' ILE . . . . . 0.953 HG21 ' HG ' ' A' ' 85' ' ' LEU . 11.5 pt -116.83 151.47 18.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.534 1.146 . . . . 64.31 109.303 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 42.9 p -119.15 5.61 11.27 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.46 1.1 . . . . 74.25 110.366 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 47' ' ' LYS . . . . . 0.641 ' HB2' HG23 ' A' ' 59' ' ' VAL . 10.3 ptmt -174.46 132.76 0.37 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.447 1.092 . . . . 71.35 109.287 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 1.017 HG22 HD21 ' A' ' 85' ' ' LEU . 2.4 pt -115.36 123.99 71.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.472 1.107 . . . . 73.41 109.344 179.938 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 49' ' ' LYS . . . . . 0.421 ' HD3' ' N ' ' A' ' 59' ' ' VAL . 0.0 OUTLIER -87.13 117.11 25.65 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.526 1.141 . . . . 70.54 109.273 -179.959 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 50' ' ' TYR . . . . . 0.854 ' HB2' HD11 ' A' ' 81' ' ' LEU . 3.6 p90 -109.17 139.27 44.3 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.42 1.075 . . . . 74.31 111.029 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 51' ' ' GLN . . . . . 0.55 ' O ' HD21 ' A' ' 81' ' ' LEU . 49.6 tt0 -72.78 141.45 48.08 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.522 1.139 . . . . 72.32 110.288 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -113.64 -170.97 1.8 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.537 1.148 . . . . 55.44 109.241 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 2.5 pp20? -65.63 -32.34 73.85 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.497 1.123 . . . . 72.13 110.283 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 3.8 t70 -63.62 -14.29 50.28 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.476 1.11 . . . . 74.01 109.311 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 78.58 37.3 27.38 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.473 1.108 . . . . 73.31 110.995 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 5.4 t70 -136.7 149.0 47.65 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.472 0.748 . . . . 75.35 109.316 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 3.5 m-85 -85.23 113.92 21.95 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.548 1.155 . . . . 73.21 111.023 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.638 HG23 ' CE1' ' A' ' 50' ' ' TYR . 0.0 OUTLIER -109.6 129.87 63.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.454 1.096 . . . . 70.15 109.313 -179.978 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.641 HG23 ' HB2' ' A' ' 47' ' ' LYS . 1.4 p -55.7 132.99 19.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.51 1.131 . . . . 73.2 109.265 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.921 HD12 ' N ' ' A' ' 61' ' ' GLY . 0.4 OUTLIER -120.51 124.7 46.03 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.484 1.115 . . . . 64.15 109.298 -179.994 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 61' ' ' GLY . . . . . 0.921 ' N ' HD12 ' A' ' 60' ' ' LEU . . . -166.91 29.67 0.18 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.57 1.168 . . . . 70.1 111.031 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 1.6 p -146.44 161.84 39.55 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.495 0.761 . . . . 40.55 109.987 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 50.4 t0 -65.31 -20.11 66.26 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.484 1.115 . . . . 53.2 109.308 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 64' ' ' GLU . . . . . 0.666 ' O ' HG23 ' A' ' 68' ' ' VAL . 11.1 pt-20 -85.5 -40.91 15.83 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.489 1.118 . . . . 73.55 110.306 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 65' ' ' ASP . . . . . 0.607 ' C ' HD13 ' A' ' 60' ' ' LEU . 66.0 m-20 -79.87 1.73 26.0 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.503 1.127 . . . . 74.4 109.313 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 66' ' ' TRP . . . . . 0.561 ' CZ2' ' HE2' ' A' ' 70' ' ' LYS . 1.3 t90 -102.68 -40.9 6.41 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 108.005 -1.109 . . . . 75.2 108.005 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 67' ' ' ASN . . . . . 0.496 ' OD1' ' C ' ' A' ' 67' ' ' ASN . 0.7 OUTLIER -82.16 -40.81 21.26 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.486 1.116 . . . . 70.51 109.277 -179.945 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.666 HG23 ' O ' ' A' ' 64' ' ' GLU . 89.5 t -66.13 -14.53 17.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.515 1.134 . . . . 74.41 109.294 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -89.82 -26.8 20.35 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.491 1.12 . . . . 73.12 109.327 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 70' ' ' LYS . . . . . 0.597 ' CD ' ' CD1' ' A' ' 5' ' ' ILE . 9.2 mtmp? -83.53 -55.5 4.26 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.547 1.155 . . . . 72.54 109.272 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 88.1 mt-10 -48.1 -31.99 6.28 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.53 1.144 . . . . 74.3 110.315 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 16.1 tpp -63.86 -48.26 77.44 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.47 1.106 . . . . 73.31 110.964 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.727 HD21 HD23 ' A' ' 81' ' ' LEU . 8.3 mt -44.9 -50.33 10.5 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.501 1.126 . . . . 63.35 109.326 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -55.2 -40.41 70.73 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.466 1.104 . . . . 64.3 109.301 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 19.9 mm-40 -73.15 -22.96 60.41 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.53 1.144 . . . . 75.14 110.253 -179.947 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 87.1 m-20 -92.0 -10.51 39.0 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.445 1.091 . . . . 71.13 109.271 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 7.9 m120 61.17 32.45 19.53 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.517 1.136 . . . . 54.11 109.3 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 9.4 pt-20 -117.63 146.43 43.67 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.531 1.145 . . . . 65.24 110.311 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 9.8 mmmm -105.51 29.1 6.8 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.522 1.139 . . . . 65.44 109.312 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 13.3 p90 -152.18 173.63 14.74 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.492 1.12 . . . . 73.4 111.028 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.854 HD11 ' HB2' ' A' ' 50' ' ' TYR . 3.0 tm? -152.73 140.57 20.07 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.541 1.151 . . . . 74.25 109.283 -179.952 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 82' ' ' ASN . . . . . 0.488 ' O ' HD13 ' A' ' 81' ' ' LEU . 6.9 t-20 -99.34 141.6 31.91 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.501 1.126 . . . . 70.42 109.313 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 83' ' ' ILE . . . . . 0.552 HD13 ' HA ' ' A' ' 50' ' ' TYR . 38.1 mm -128.25 160.28 38.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.487 1.117 . . . . 55.5 109.321 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 84' ' ' ARG . . . . . 0.603 ' O ' HD22 ' A' ' 85' ' ' LEU . 40.1 ttt-85 -146.4 153.13 40.13 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.463 1.102 . . . . 72.03 110.302 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 1.017 HD21 HG22 ' A' ' 48' ' ' ILE . 2.0 mm? -137.05 139.88 41.65 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.474 1.109 . . . . 71.15 109.315 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 86' ' ' TYR . . . . . 0.408 ' C ' ' O ' ' A' ' 85' ' ' LEU . 3.2 t80 . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.497 1.123 . . . . 74.11 110.96 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo . . . . . 0 N--CA 1.453 -0.88 0 N-CA-C 110.995 -0.425 . . . . 72.12 110.995 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 5.2 mp -111.86 -15.72 13.3 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.474 1.109 . . . . 72.34 109.305 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -93.19 68.51 1.65 Allowed Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.562 1.164 . . . . 65.24 111.038 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' SER . . . . . 0.551 ' HB2' HD11 ' A' ' 19' ' ' LEU . 0.7 OUTLIER -166.64 -171.75 1.95 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.471 0.748 . . . . 73.43 110.008 179.991 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 53.5 mt -132.9 147.22 31.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.475 1.11 . . . . 64.25 109.297 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.878 HD13 ' N ' ' A' ' 7' ' ' PHE . 3.2 tm? -95.69 148.77 22.21 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.521 1.138 . . . . 72.32 109.319 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 7' ' ' PHE . . . . . 0.878 ' N ' HD13 ' A' ' 6' ' ' LEU . 1.2 m-85 -122.29 118.23 28.02 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.503 1.127 . . . . 71.14 111.007 179.95 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 8' ' ' ARG . . . . . 0.576 HH21 HD12 ' A' ' 15' ' ' ILE . 6.0 mtp180 -87.91 84.49 6.99 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.523 1.139 . . . . 73.41 110.313 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.531 ' CG2' HD12 ' A' ' 85' ' ' LEU . 2.0 mp -68.9 109.04 1.8 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.554 1.159 . . . . 75.04 109.278 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 10' ' ' SER . . . . . 0.453 ' O ' ' N ' ' A' ' 85' ' ' LEU . 41.1 m -90.94 140.58 29.69 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.514 1.134 . . . . 51.23 110.002 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 11' ' ' TYR . . . . . 0.511 ' CD2' ' OE2' ' A' ' 14' ' ' GLU . 5.6 t80 -133.07 -171.52 2.7 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.511 1.132 . . . . 74.21 111.022 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 3.5 m-20 -72.06 87.38 1.06 Allowed 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.507 1.13 . . . . 74.54 109.263 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 71.9 7.44 5.85 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.505 1.128 . . . . 71.35 110.021 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 14' ' ' GLU . . . . . 0.802 ' O ' HD13 ' A' ' 15' ' ' ILE . 1.7 tt0 -120.85 159.2 25.97 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.482 1.114 . . . . 73.4 110.262 -179.958 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.802 HD13 ' O ' ' A' ' 14' ' ' GLU . 8.7 mm -138.34 142.0 36.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.528 1.143 . . . . 73.24 109.301 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 16' ' ' PHE . . . . . 0.556 ' CE1' ' HB3' ' A' ' 36' ' ' LYS . 10.7 t80 -138.27 154.45 49.05 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.517 1.135 . . . . 60.3 110.978 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.421 ' O ' ' CD1' ' A' ' 16' ' ' PHE . 2.4 p -115.91 150.95 36.27 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.506 1.129 . . . . 70.2 110.396 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.639 HD12 ' HB2' ' A' ' 36' ' ' LYS . 8.2 tt -157.29 133.84 9.89 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.516 1.135 . . . . 52.41 109.291 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.557 ' O ' ' CH2' ' A' ' 24' ' ' TRP . 0.2 OUTLIER -87.21 117.61 26.07 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.457 1.098 . . . . 74.01 109.326 179.969 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.551 ' HA ' ' CZ3' ' A' ' 24' ' ' TRP . 38.5 t -114.51 115.23 48.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.466 1.104 . . . . 72.41 109.315 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.567 ' HB2' ' CD1' ' A' ' 24' ' ' TRP . 21.5 mt-10 -67.81 166.35 15.62 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.45 1.094 . . . . 54.42 110.291 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 5.3 mtpt -89.84 15.59 9.57 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.453 1.096 . . . . 62.33 109.298 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.437 HG12 ' HB3' ' A' ' 21' ' ' GLU . 0.2 OUTLIER -116.36 -38.58 2.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.524 1.14 . . . . 70.32 109.336 179.964 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 24' ' ' TRP . . . . . 0.567 ' CD1' ' HB2' ' A' ' 21' ' ' GLU . 32.8 m0 -45.23 154.72 0.15 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.535 1.147 . . . . 75.5 107.96 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 16.6 p-10 -113.02 -174.2 2.41 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.465 1.103 . . . . 71.51 109.299 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 26' ' ' PHE . . . . . 0.451 ' CB ' ' C ' ' A' ' 62' ' ' SER . 7.6 p90 -60.42 -29.39 68.95 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.467 1.104 . . . . 71.41 111.016 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 20.9 t0 -72.71 -64.0 1.05 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.491 1.119 . . . . 75.23 109.295 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 81.1 m-20 -53.6 -33.44 54.94 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.463 1.102 . . . . 74.4 109.353 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 1.049 HD21 HD21 ' A' ' 60' ' ' LEU . 2.3 tp -60.04 -62.6 1.75 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.524 1.14 . . . . 53.22 109.315 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.461 HD11 HG12 ' A' ' 48' ' ' ILE . 30.9 mm -53.17 -47.02 56.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.522 1.139 . . . . 62.32 109.317 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 37.5 mtp -61.07 -32.9 72.54 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.479 1.112 . . . . 61.12 110.957 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 32' ' ' ALA . . . . . 0.469 ' HB3' ' O ' ' A' ' 29' ' ' LEU . . . -60.7 -53.14 61.08 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.486 1.117 . . . . 73.22 109.272 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.617 ' O ' HG23 ' A' ' 37' ' ' ILE . 3.2 mp -65.08 -39.52 85.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 64.21 109.333 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 3.6 m-20 -68.1 -15.54 63.64 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.48 1.113 . . . . 74.25 109.258 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 2.6 t -91.47 -37.83 12.93 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.423 1.077 . . . . 65.43 110.028 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 0.639 ' HB2' HD12 ' A' ' 18' ' ' LEU . 1.2 mptt -74.06 -35.13 64.25 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.488 1.118 . . . . 63.45 109.32 179.952 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.621 HD13 HD11 ' A' ' 45' ' ' ILE . 2.5 pt -93.84 -3.14 10.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.487 1.117 . . . . 75.5 109.306 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 38' ' ' SER . . . . . 0.421 ' C ' ' N ' ' A' ' 40' ' ' THR . 1.0 OUTLIER -46.42 -25.18 0.61 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.487 1.117 . . . . 72.25 109.977 179.997 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 13.1 t-20 -40.46 -29.99 0.1 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.492 1.12 . . . . 71.14 109.274 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 40' ' ' THR . . . . . 0.421 ' N ' ' C ' ' A' ' 38' ' ' SER . 64.7 p -100.0 93.68 5.88 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.454 1.096 . . . . 72.21 110.458 179.938 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 54.2 m80 -88.9 44.36 1.21 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.496 1.123 . . . . 44.23 109.569 -179.944 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.404 ' CG1' ' N ' ' A' ' 43' ' ' SER . 6.8 pt -117.64 -50.57 4.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.545 1.153 . . . . 74.23 109.311 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 43' ' ' SER . . . . . 0.404 ' N ' ' CG1' ' A' ' 42' ' ' ILE . 4.8 t -174.51 93.58 0.31 Allowed Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.488 1.117 . . . . 44.53 109.994 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.95 -162.26 0.15 Allowed 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.487 1.783 . . . . 51.2 110.993 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 45' ' ' ILE . . . . . 0.917 HG12 HD22 ' A' ' 85' ' ' LEU . 1.4 pp -115.49 124.48 72.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.512 1.132 . . . . 72.22 109.346 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 13.9 p -94.57 2.97 55.66 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.456 1.098 . . . . 75.53 110.34 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -142.45 137.5 30.37 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.469 1.106 . . . . 64.22 109.343 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.895 HG22 HD21 ' A' ' 85' ' ' LEU . 44.5 pt -126.96 143.32 40.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.501 1.125 . . . . 74.55 109.318 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 16.8 ttmt -110.66 96.61 6.29 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.499 1.124 . . . . 73.32 109.323 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 50' ' ' TYR . . . . . 0.759 ' CE2' ' HB2' ' A' ' 69' ' ' ALA . 9.1 p90 -83.31 152.74 24.97 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.492 1.12 . . . . 74.31 110.939 -179.927 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 43.6 tt0 -80.41 152.15 28.98 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.491 1.12 . . . . 64.34 110.282 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 15.4 t0 -112.74 -176.78 2.98 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.494 1.121 . . . . 64.34 109.313 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 53' ' ' GLU . . . . . 0.493 ' CB ' ' OD1' ' A' ' 76' ' ' ASN . 14.4 pt-20 -74.68 -16.25 60.77 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.477 1.111 . . . . 64.43 110.299 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -91.42 16.84 9.41 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.477 1.111 . . . . 74.14 109.325 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 51.76 37.63 43.37 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.525 1.141 . . . . 44.25 111.013 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -128.95 129.12 45.02 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.539 0.788 . . . . 64.51 109.252 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 11.6 m-30 -64.26 139.74 58.8 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.498 1.124 . . . . 62.34 110.991 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.637 HG23 ' CE1' ' A' ' 50' ' ' TYR . 0.2 OUTLIER -139.31 139.39 39.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.545 1.153 . . . . 64.55 109.255 -179.976 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 57.2 t -62.67 152.72 7.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 O-C-N 124.456 1.097 . . . . 74.53 109.322 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 1.049 HD21 HD21 ' A' ' 29' ' ' LEU . 0.3 OUTLIER -140.44 118.57 11.96 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.514 1.133 . . . . 74.13 109.291 179.986 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 61' ' ' GLY . . . . . 0.81 ' N ' HD12 ' A' ' 60' ' ' LEU . . . -157.82 24.63 0.42 Allowed Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.505 1.128 . . . . 51.21 110.974 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 62' ' ' SER . . . . . 0.451 ' C ' ' CB ' ' A' ' 26' ' ' PHE . 75.0 m -155.3 176.93 11.93 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.535 0.785 . . . . 52.33 109.983 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 5.9 t0 -83.39 -20.89 33.36 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.49 1.119 . . . . 71.25 109.349 179.938 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 64' ' ' GLU . . . . . 0.444 ' O ' ' CG ' ' A' ' 64' ' ' GLU . 11.9 tt0 -80.18 -8.41 59.42 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.462 1.101 . . . . 75.33 110.305 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 26.2 m-20 -110.26 -21.01 12.45 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.513 1.133 . . . . 74.13 109.309 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 66' ' ' TRP . . . . . 0.582 ' O ' ' CE3' ' A' ' 66' ' ' TRP . 3.7 t-105 -93.59 -23.56 18.26 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 107.977 -1.12 . . . . 74.13 107.977 -179.943 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 5.6 t30 -88.76 -49.14 7.02 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.509 1.131 . . . . 65.14 109.285 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.409 ' CG2' ' O ' ' A' ' 64' ' ' GLU . 43.8 t -57.11 -27.58 27.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.502 1.126 . . . . 71.53 109.318 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 69' ' ' ALA . . . . . 0.759 ' HB2' ' CE2' ' A' ' 50' ' ' TYR . . . -77.37 -34.18 55.1 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.513 1.133 . . . . 51.23 109.306 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 2.4 mtmp? -70.53 -55.39 9.01 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.5 1.125 . . . . 50.21 109.303 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 18.0 pt-20 -51.82 -21.11 2.6 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.479 1.112 . . . . 74.11 110.299 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 2.0 tpt -83.76 -31.45 25.96 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.563 1.164 . . . . 53.0 111.032 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.563 HD21 HD23 ' A' ' 81' ' ' LEU . 3.9 mt -57.63 -46.31 84.33 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.533 1.146 . . . . 72.1 109.312 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -60.52 -15.86 31.45 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.459 1.099 . . . . 73.42 109.298 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 20.8 mt-10 -97.23 -28.35 14.12 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.483 1.115 . . . . 70.41 110.323 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 76' ' ' ASN . . . . . 0.493 ' OD1' ' CB ' ' A' ' 53' ' ' GLU . 80.2 m-20 -89.26 13.95 12.19 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.492 1.12 . . . . 70.32 109.292 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 25.1 m-80 40.46 32.08 0.13 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.511 1.132 . . . . 65.11 109.34 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 78' ' ' GLU . . . . . 0.447 ' OE1' ' CB ' ' A' ' 76' ' ' ASN . 8.8 pt-20 -114.58 145.82 41.51 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.518 1.136 . . . . 50.51 110.281 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 23.1 mmtm -111.47 15.2 21.33 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.507 1.129 . . . . 75.34 109.314 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 80' ' ' PHE . . . . . 0.419 ' CE2' ' HB2' ' A' ' 78' ' ' GLU . 29.0 p90 -127.42 -174.78 3.26 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.503 1.127 . . . . 71.44 110.994 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.842 HD13 ' N ' ' A' ' 82' ' ' ASN . 1.5 tm? -150.12 163.54 37.94 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.553 1.158 . . . . 64.41 109.257 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 82' ' ' ASN . . . . . 0.842 ' N ' HD13 ' A' ' 81' ' ' LEU . 7.8 t-20 -131.99 121.08 23.35 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.474 1.109 . . . . 73.13 109.281 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 83' ' ' ILE . . . . . 0.433 HG22 ' N ' ' A' ' 84' ' ' ARG . 18.0 mm -113.34 162.07 11.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.445 1.09 . . . . 71.43 109.333 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 84' ' ' ARG . . . . . 0.477 ' O ' HD23 ' A' ' 85' ' ' LEU . 15.0 ttt180 -126.94 137.28 53.1 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.563 1.164 . . . . 72.54 110.272 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.917 HD22 HG12 ' A' ' 45' ' ' ILE . 35.8 mt -137.81 96.9 3.31 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.47 1.106 . . . . 63.34 109.256 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 4.7 t80 . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.126 . . . . 75.44 111.009 179.985 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo . . . . . 0 N--CA 1.453 -0.902 0 N-CA-C 111.004 -0.422 . . . . 74.34 111.004 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' LEU . . . . . 0.529 ' N ' HD23 ' A' ' 2' ' ' LEU . 0.2 OUTLIER -99.03 127.04 44.88 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.413 1.07 . . . . 51.33 109.291 -179.969 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -122.07 37.85 2.77 Favored Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.511 1.132 . . . . 74.21 110.995 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' SER . . . . . 0.437 ' HB2' HD11 ' A' ' 19' ' ' LEU . 0.6 OUTLIER -137.57 173.92 11.15 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.458 0.74 . . . . 71.14 110.014 -179.997 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 17.7 mt -132.77 140.52 47.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.523 1.14 . . . . 72.24 109.284 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.852 HD13 ' N ' ' A' ' 7' ' ' PHE . 3.4 tm? -95.04 148.16 22.64 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.476 1.11 . . . . 73.3 109.341 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 7' ' ' PHE . . . . . 0.852 ' N ' HD13 ' A' ' 6' ' ' LEU . 4.3 m-85 -133.71 116.85 16.27 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.472 1.108 . . . . 73.54 111.004 -179.956 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 8' ' ' ARG . . . . . 0.601 ' CG ' ' CG2' ' A' ' 15' ' ' ILE . 2.2 tpp85 -86.14 119.32 26.3 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.513 1.133 . . . . 75.31 110.301 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.509 HG23 HD13 ' A' ' 85' ' ' LEU . 4.2 mp -107.38 118.66 55.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.497 1.123 . . . . 42.33 109.287 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 10' ' ' SER . . . . . 0.416 ' HA ' ' O ' ' A' ' 14' ' ' GLU . 3.5 t -95.03 136.94 34.73 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.547 1.154 . . . . 73.42 109.989 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 2.2 t80 -159.78 129.73 5.46 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.527 1.142 . . . . 73.24 110.994 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' ASN . . . . . 0.596 ' O ' ' CB ' ' A' ' 13' ' ' SER . 6.8 t30 64.7 12.55 7.69 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.474 1.109 . . . . 62.13 109.256 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 13' ' ' SER . . . . . 0.596 ' CB ' ' O ' ' A' ' 12' ' ' ASN . 1.9 t 92.95 1.81 0.08 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.484 1.115 . . . . 71.11 109.99 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 14' ' ' GLU . . . . . 0.429 ' CD ' ' N ' ' A' ' 15' ' ' ILE . 1.4 tp10 -98.18 152.18 19.64 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.49 1.119 . . . . 75.32 110.249 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.601 ' CG2' ' CG ' ' A' ' 8' ' ' ARG . 2.4 mm -105.01 132.56 51.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.46 1.1 . . . . 62.34 109.286 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 2.3 t80 -118.76 178.91 4.3 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.504 1.127 . . . . 45.25 110.987 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 2.0 p -136.06 140.14 43.57 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.438 1.086 . . . . 63.51 110.411 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.727 HD23 ' CE ' ' A' ' 36' ' ' LYS . 1.5 tm? -148.65 108.24 3.99 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.48 1.112 . . . . 72.44 109.33 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.493 ' CD1' ' C ' ' A' ' 19' ' ' LEU . 0.2 OUTLIER -72.82 109.68 6.59 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.463 1.102 . . . . 74.13 109.287 -179.976 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.736 HG11 ' CD1' ' A' ' 7' ' ' PHE . 4.6 p -112.67 120.51 62.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.533 1.145 . . . . 73.32 109.285 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.564 ' HB2' ' CD1' ' A' ' 24' ' ' TRP . 4.3 mm-40 -67.36 170.11 7.85 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.509 1.131 . . . . 75.31 110.275 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 4.7 mtpt -91.16 14.68 13.55 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.55 1.156 . . . . 75.43 109.318 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.471 ' O ' ' CG2' ' A' ' 23' ' ' VAL . 0.3 OUTLIER -121.49 -1.16 7.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.57 1.169 . . . . 73.51 109.265 -179.982 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 24' ' ' TRP . . . . . 0.564 ' CD1' ' HB2' ' A' ' 21' ' ' GLU . 27.7 m0 -81.98 118.26 22.84 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 107.976 -1.12 . . . . 65.15 107.976 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 25' ' ' ASN . . . . . 0.423 ' OD1' ' N ' ' A' ' 25' ' ' ASN . 10.0 p-10 -70.98 -176.06 1.28 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.52 1.137 . . . . 72.43 109.304 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 26' ' ' PHE . . . . . 0.513 ' CG ' ' N ' ' A' ' 27' ' ' ASP . 7.5 p90 -64.75 -40.1 94.73 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.555 1.159 . . . . 73.54 111.016 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 27' ' ' ASP . . . . . 0.513 ' N ' ' CG ' ' A' ' 26' ' ' PHE . 21.5 t0 -60.56 -42.3 96.35 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.505 1.128 . . . . 64.42 109.264 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 28' ' ' ASP . . . . . 0.557 ' O ' ' HB2' ' A' ' 32' ' ' ALA . 70.6 m-20 -73.12 -31.32 64.23 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.503 1.127 . . . . 70.14 109.326 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.968 ' CD2' HD21 ' A' ' 60' ' ' LEU . 10.9 tp -64.24 -49.17 72.96 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.126 . . . . 71.44 109.327 179.945 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.552 HD13 HG12 ' A' ' 48' ' ' ILE . 13.6 mm -64.46 -45.02 96.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.465 1.103 . . . . 62.12 109.318 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 31.1 mmt -71.14 -21.46 62.19 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.514 1.134 . . . . 74.24 110.955 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 32' ' ' ALA . . . . . 0.557 ' HB2' ' O ' ' A' ' 28' ' ' ASP . . . -68.31 -45.02 74.14 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.522 1.139 . . . . 54.23 109.309 -179.949 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.465 HD12 ' O ' ' A' ' 29' ' ' LEU . 3.9 mp -79.71 -46.72 22.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.513 1.133 . . . . 54.44 109.301 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 2.1 m120 -54.52 -22.49 13.14 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.473 1.108 . . . . 65.44 109.288 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 1.5 t -80.25 -42.52 23.04 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.443 1.09 . . . . 53.13 109.976 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 0.727 ' CE ' HD23 ' A' ' 18' ' ' LEU . 1.0 OUTLIER -65.75 -41.97 91.48 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.482 1.114 . . . . 70.33 109.285 -179.999 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.465 HG23 ' O ' ' A' ' 33' ' ' ILE . 1.9 pt -76.51 -16.12 14.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.469 1.106 . . . . 75.41 109.316 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 38' ' ' SER . . . . . 0.441 ' C ' ' N ' ' A' ' 40' ' ' THR . 3.2 t -54.87 -20.55 9.03 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.473 1.108 . . . . 75.21 109.985 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 39' ' ' ASN . . . . . 0.401 ' C ' ' O ' ' A' ' 38' ' ' SER . 8.4 t-20 -40.51 -30.4 0.11 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.532 1.145 . . . . 62.53 109.296 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 40' ' ' THR . . . . . 0.462 ' O ' HG23 ' A' ' 42' ' ' ILE . 70.1 p -87.84 -48.31 7.92 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.545 1.153 . . . . 60.14 110.388 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 27.2 t60 57.79 34.85 24.9 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.487 1.117 . . . . 73.34 109.579 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.701 HD12 ' HB3' ' A' ' 43' ' ' SER . 1.3 pp -111.23 -30.46 2.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.46 1.1 . . . . 73.1 109.312 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 43' ' ' SER . . . . . 0.701 ' HB3' HD12 ' A' ' 42' ' ' ILE . 3.4 t 167.27 94.15 0.03 OUTLIER Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.459 1.099 . . . . 64.33 110.038 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -162.23 0.14 Allowed 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.568 1.825 . . . . 73.13 110.984 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 45' ' ' ILE . . . . . 0.486 HD13 HG23 ' A' ' 48' ' ' ILE . 1.3 pp -115.47 157.95 16.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.473 1.108 . . . . 75.13 109.27 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 4.1 p -114.86 -7.65 12.6 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.461 1.101 . . . . 72.3 110.413 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 7.2 ptmm? -139.66 109.44 6.32 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.505 1.128 . . . . 64.1 109.312 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.552 HG12 HD13 ' A' ' 30' ' ' ILE . 5.0 pt -99.15 141.39 16.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.524 1.14 . . . . 75.15 109.331 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 49' ' ' LYS . . . . . 0.681 ' HD3' HG22 ' A' ' 59' ' ' VAL . 1.3 tppp? -103.04 120.93 41.56 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.471 1.107 . . . . 75.25 109.313 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 50' ' ' TYR . . . . . 0.588 ' HB2' HD21 ' A' ' 81' ' ' LEU . 7.9 p90 -112.13 146.72 37.54 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.556 1.16 . . . . 75.11 111.037 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 51' ' ' GLN . . . . . 0.406 ' NE2' ' HA2' ' A' ' 55' ' ' GLY . 51.0 tt0 -73.4 156.1 38.66 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.454 1.096 . . . . 63.14 110.274 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 12.4 t0 -113.11 -173.21 2.21 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.522 1.139 . . . . 54.02 109.282 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 53' ' ' GLU . . . . . 0.415 ' HG2' ' CG ' ' A' ' 72' ' ' MET . 2.7 pp20? -77.71 -5.94 52.27 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.544 1.153 . . . . 53.03 110.277 -179.945 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 24.5 t70 -96.61 -1.11 47.52 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.506 1.129 . . . . 73.51 109.258 -179.95 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 55' ' ' GLY . . . . . 0.406 ' HA2' ' NE2' ' A' ' 51' ' ' GLN . . . 78.27 0.52 77.96 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.493 1.121 . . . . 35.2 111.015 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 6.8 t0 -84.65 -175.41 5.77 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.472 0.748 . . . . 70.35 109.317 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 3.1 p90 -115.05 130.5 56.95 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.496 1.123 . . . . 75.32 111.004 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.462 ' O ' ' CD1' ' A' ' 50' ' ' TYR . 0.0 OUTLIER -132.79 131.32 59.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.49 1.119 . . . . 73.22 109.325 -179.981 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.681 HG22 ' HD3' ' A' ' 49' ' ' LYS . 76.4 t -59.2 165.03 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.476 1.11 . . . . 74.52 109.309 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.968 HD21 ' CD2' ' A' ' 29' ' ' LEU . 3.2 tp -152.91 120.67 6.06 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.545 1.153 . . . . 74.34 109.287 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 61' ' ' GLY . . . . . 0.556 ' N ' HD12 ' A' ' 60' ' ' LEU . . . -161.84 26.99 0.26 Allowed Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.509 1.131 . . . . 53.22 111.002 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 9.3 m -160.63 162.71 32.82 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.495 0.762 . . . . 75.33 109.991 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -71.09 -29.6 65.5 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.504 1.128 . . . . 71.53 109.262 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 64' ' ' GLU . . . . . 0.492 ' O ' ' CG2' ' A' ' 68' ' ' VAL . 3.2 tt0 -71.07 -8.13 51.29 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.493 1.121 . . . . 75.34 110.245 -179.918 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 65' ' ' ASP . . . . . 0.4 ' HB3' HD13 ' A' ' 60' ' ' LEU . 10.8 t0 -110.27 -23.76 11.05 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.508 1.13 . . . . 71.21 109.301 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 66' ' ' TRP . . . . . 0.599 ' O ' ' CE3' ' A' ' 66' ' ' TRP . 3.6 t-105 -91.09 -21.29 21.29 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.544 1.152 . . . . 72.12 108.029 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 81.2 m-20 -95.36 -25.59 16.23 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.552 1.157 . . . . 71.45 109.288 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.492 ' CG2' ' O ' ' A' ' 64' ' ' GLU . 3.6 t -79.73 -14.91 13.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.487 1.117 . . . . 74.22 109.27 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 69' ' ' ALA . . . . . 0.462 ' HB2' ' CE2' ' A' ' 50' ' ' TYR . . . -93.09 -45.05 8.08 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.482 1.114 . . . . 60.24 109.337 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 70' ' ' LYS . . . . . 0.569 ' HD3' ' CH2' ' A' ' 66' ' ' TRP . 3.1 mtmp? -52.44 -54.87 26.58 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.495 1.122 . . . . 72.13 109.317 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 33.0 mt-10 -45.73 -32.74 2.63 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.541 1.151 . . . . 55.34 110.293 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 72' ' ' MET . . . . . 0.415 ' CG ' ' HG2' ' A' ' 53' ' ' GLU . 20.3 tpp -72.18 -41.27 67.18 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.514 1.134 . . . . 63.43 110.973 -179.947 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.486 HD11 HD12 ' A' ' 81' ' ' LEU . 4.8 mt -52.73 -44.08 66.16 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.518 1.136 . . . . 73.4 109.303 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -57.58 -33.46 68.19 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.573 1.17 . . . . 44.52 109.337 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 76.3 mt-10 -82.16 -24.06 35.23 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.479 1.112 . . . . 73.22 110.323 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 76' ' ' ASN . . . . . 0.646 HD22 ' N ' ' A' ' 76' ' ' ASN . 1.0 OUTLIER -89.31 -16.04 32.04 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.547 1.155 . . . . 75.15 109.322 179.948 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 77' ' ' ASN . . . . . 0.446 ' N ' ' O ' ' A' ' 73' ' ' LEU . 9.7 m120 60.69 46.12 9.49 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.473 1.108 . . . . 61.24 109.287 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 78' ' ' GLU . . . . . 0.41 ' CD ' HD22 ' A' ' 73' ' ' LEU . 10.7 pt-20 -125.05 154.77 40.82 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.517 1.136 . . . . 61.44 110.301 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 59.4 mmtt -119.97 29.92 7.29 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.517 1.136 . . . . 74.33 109.326 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 7.7 p90 -144.95 170.66 15.72 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.459 1.099 . . . . 71.03 110.977 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.709 HD13 ' CZ ' ' A' ' 7' ' ' PHE . 2.0 tt -150.06 158.73 44.46 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.484 1.115 . . . . 64.12 109.315 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 82' ' ' ASN . . . . . 0.603 ' O ' HD23 ' A' ' 81' ' ' LEU . 8.3 t-20 -115.03 148.87 38.3 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.547 1.154 . . . . 72.11 109.275 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 83' ' ' ILE . . . . . 0.52 HG22 ' N ' ' A' ' 84' ' ' ARG . 15.5 mm -137.44 167.31 23.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.494 1.121 . . . . 53.32 109.279 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 84' ' ' ARG . . . . . 0.755 ' O ' HD12 ' A' ' 85' ' ' LEU . 15.8 ttt180 -145.04 126.58 15.06 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.518 1.136 . . . . 72.51 110.285 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.755 HD12 ' O ' ' A' ' 84' ' ' ARG . 10.8 mp -133.31 139.68 47.01 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.511 1.132 . . . . 72.53 109.336 179.934 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 17.5 t80 . . . . . 0 C--N 1.326 -0.45 0 O-C-N 124.478 1.112 . . . . 61.11 111.028 179.998 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 N--CA 1.453 -0.879 0 N-CA-C 110.948 -0.443 . . . . 75.12 110.948 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 6.0 mp -100.44 -24.6 14.45 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.489 1.118 . . . . 64.34 109.318 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -82.56 64.39 4.29 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.51 1.131 . . . . 14.3 111.034 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' SER . . . . . 0.648 ' HB2' HD11 ' A' ' 19' ' ' LEU . 26.1 m -171.26 -175.23 1.62 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.535 0.785 . . . . 52.54 109.977 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.525 HD13 HD12 ' A' ' 73' ' ' LEU . 29.4 mt -126.19 144.75 35.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.532 1.145 . . . . 73.13 109.246 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -88.73 142.25 27.83 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.469 1.106 . . . . 74.45 109.279 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 7' ' ' PHE . . . . . 0.892 ' CE1' HD23 ' A' ' 81' ' ' LEU . 1.0 OUTLIER -122.61 108.51 13.19 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.473 1.108 . . . . 73.24 111.023 179.995 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 8' ' ' ARG . . . . . 0.6 ' CZ ' ' CE1' ' A' ' 80' ' ' PHE . 91.9 mtt180 -86.11 112.94 21.76 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.442 1.089 . . . . 72.21 110.303 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.808 ' CG2' HD22 ' A' ' 85' ' ' LEU . 3.9 mp -98.67 101.66 12.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.49 1.119 . . . . 74.35 109.332 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 10' ' ' SER . . . . . 0.568 ' CB ' HD13 ' A' ' 15' ' ' ILE . 1.4 p -92.32 117.28 29.74 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.513 1.133 . . . . 62.43 110.053 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 1.1 t80 -101.68 46.54 0.93 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.525 1.141 . . . . 74.24 111.022 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 2.8 m-20 54.95 17.04 1.68 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.524 1.14 . . . . 52.31 109.286 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 13.4 t -142.35 -89.81 0.14 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.523 1.139 . . . . 44.14 109.984 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 30.8 mt-10 -106.75 158.81 16.7 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.551 1.157 . . . . 72.11 110.284 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.568 HD13 ' CB ' ' A' ' 10' ' ' SER . 3.2 mm -100.89 130.71 49.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.127 . . . . 73.45 109.303 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 4.4 m-85 -102.46 174.69 5.79 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.509 1.13 . . . . 74.14 111.021 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 2.0 p -132.53 125.57 30.89 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.54 1.15 . . . . 74.02 110.381 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.866 HD23 ' HD2' ' A' ' 36' ' ' LYS . 0.8 OUTLIER -134.94 110.24 8.99 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.503 1.127 . . . . 72.44 109.289 -179.98 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.648 HD11 ' HB2' ' A' ' 4' ' ' SER . 0.1 OUTLIER -67.3 102.22 1.05 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.461 1.1 . . . . 72.33 109.322 179.984 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.756 HG23 ' HE3' ' A' ' 24' ' ' TRP . 6.3 p -106.22 112.24 38.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.445 1.09 . . . . 54.21 109.296 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.568 ' HB2' ' CD1' ' A' ' 24' ' ' TRP . 5.2 mm-40 -52.94 169.8 0.09 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.525 1.141 . . . . 70.52 110.266 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 22' ' ' LYS . . . . . 0.513 ' HZ2' ' C ' ' A' ' 4' ' ' SER . 0.7 OUTLIER -89.22 15.42 8.95 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.471 1.107 . . . . 52.51 109.294 -179.994 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.538 HG22 ' O ' ' A' ' 23' ' ' VAL . 0.8 OUTLIER -125.5 2.97 4.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.518 1.137 . . . . 73.41 109.259 -179.951 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 24' ' ' TRP . . . . . 0.756 ' HE3' HG23 ' A' ' 20' ' ' VAL . 33.0 m0 -86.33 87.55 7.45 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.529 1.143 . . . . 75.35 108.005 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 25' ' ' ASN . . . . . 0.432 ' HA ' ' CE2' ' A' ' 66' ' ' TRP . 15.2 p-10 -55.53 -178.92 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.505 1.128 . . . . 71.34 109.279 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 19.3 p90 -53.73 -31.23 47.5 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.467 1.104 . . . . 73.54 111.017 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 15.7 t0 -67.05 -64.51 0.84 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.536 1.147 . . . . 72.51 109.282 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 28' ' ' ASP . . . . . 0.778 ' O ' ' HB2' ' A' ' 32' ' ' ALA . 0.9 OUTLIER -58.14 -17.84 21.26 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.127 . . . . 73.43 109.321 179.992 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.774 HD12 ' C ' ' A' ' 29' ' ' LEU . 0.1 OUTLIER -75.94 -58.38 3.32 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.541 1.151 . . . . 73.14 109.296 179.943 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.445 HD13 ' HA ' ' A' ' 30' ' ' ILE . 25.2 mm -58.21 -40.07 76.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.482 1.114 . . . . 75.11 109.304 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 25.5 mmm -75.64 -19.3 59.28 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.504 1.128 . . . . 52.05 111.014 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 32' ' ' ALA . . . . . 0.778 ' HB2' ' O ' ' A' ' 28' ' ' ASP . . . -73.93 -67.01 0.64 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.548 1.155 . . . . 61.43 109.265 -179.957 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.822 HD11 ' HD2' ' A' ' 7' ' ' PHE . 3.8 mp -58.36 -32.54 45.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.514 1.134 . . . . 72.32 109.3 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 34' ' ' ASN . . . . . 0.444 ' ND2' ' O ' ' A' ' 30' ' ' ILE . 0.7 OUTLIER -55.43 -20.36 12.09 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.501 1.126 . . . . 71.31 109.266 -179.965 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 8.6 t -92.7 -21.99 19.66 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.484 1.115 . . . . 34.04 110.024 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 0.866 ' HD2' HD23 ' A' ' 18' ' ' LEU . 0.0 OUTLIER -77.19 -42.35 37.91 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.487 1.117 . . . . 75.45 109.288 -179.99 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.47 HD11 ' CB ' ' A' ' 44' ' ' PRO . 13.4 pt -80.24 -16.0 12.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.52 1.138 . . . . 62.02 109.246 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 38' ' ' SER . . . . . 0.433 ' C ' ' N ' ' A' ' 40' ' ' THR . 11.0 t -54.58 -19.36 5.81 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.529 1.143 . . . . 71.34 109.985 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 39' ' ' ASN . . . . . 0.441 ' OD1' HG23 ' A' ' 40' ' ' THR . 14.5 p-10 -41.42 -29.34 0.15 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.485 1.116 . . . . 70.03 109.283 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 40' ' ' THR . . . . . 0.442 ' CB ' HG12 ' A' ' 42' ' ' ILE . 13.0 p -93.28 -57.62 2.55 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.467 1.105 . . . . 75.53 110.379 -179.939 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 41' ' ' HIS . . . . . 0.491 ' C ' HD13 ' A' ' 42' ' ' ILE . 11.4 t-160 80.73 31.53 0.16 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.481 1.113 . . . . 62.2 109.588 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.491 HD13 ' C ' ' A' ' 41' ' ' HIS . 0.9 OUTLIER -102.58 -75.77 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.529 1.143 . . . . 75.23 109.3 180.0 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 46.6 p -143.73 101.23 5.03 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.477 1.111 . . . . 54.51 110.007 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 44' ' ' PRO . . . . . 0.47 ' CB ' HD11 ' A' ' 37' ' ' ILE . 18.2 Cg_endo -75.04 -162.26 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.494 1.787 . . . . 75.54 111.011 -179.953 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 1.3 pp -132.95 168.1 25.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.483 1.115 . . . . 51.02 109.33 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 3.2 p -129.17 4.65 5.26 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.501 1.126 . . . . 74.35 110.393 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 47' ' ' LYS . . . . . 0.424 ' O ' HG23 ' A' ' 48' ' ' ILE . 0.0 OUTLIER -142.68 163.68 32.15 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.524 1.14 . . . . 74.24 109.287 -179.984 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.66 HD12 HD12 ' A' ' 83' ' ' ILE . 4.6 pt -150.9 163.15 3.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.515 1.134 . . . . 73.2 109.28 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 49' ' ' LYS . . . . . 0.428 ' HE3' HG23 ' A' ' 59' ' ' VAL . 23.8 tttt -122.81 91.88 3.59 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.502 1.126 . . . . 73.23 109.316 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 50' ' ' TYR . . . . . 0.598 ' CE2' ' HB1' ' A' ' 69' ' ' ALA . 6.5 p90 -81.59 151.24 27.77 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.451 1.094 . . . . 74.41 111.014 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 51' ' ' GLN . . . . . 0.404 ' O ' ' CD2' ' A' ' 50' ' ' TYR . 36.4 tt0 -75.97 153.7 36.39 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.524 1.14 . . . . 75.12 110.315 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 52' ' ' ASP . . . . . 0.452 ' OD1' ' N ' ' A' ' 54' ' ' ASP . 18.1 p30 -120.69 -173.13 2.52 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.516 1.135 . . . . 65.54 109.287 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 5.2 pt-20 -72.04 -23.87 61.45 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.544 1.152 . . . . 74.22 110.264 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 54' ' ' ASP . . . . . 0.452 ' N ' ' OD1' ' A' ' 52' ' ' ASP . 0.2 OUTLIER -80.09 1.45 27.87 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.518 1.136 . . . . 73.31 109.254 -179.969 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 64.13 20.49 64.99 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.505 1.128 . . . . 54.2 111.005 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 19.5 m-20 -115.31 124.64 51.82 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.56 0.8 . . . . 52.12 109.273 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 5.7 p90 -54.13 139.71 34.44 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.483 1.115 . . . . 72.21 110.964 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.566 HG23 ' CE1' ' A' ' 50' ' ' TYR . 0.1 OUTLIER -139.11 135.95 42.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.443 1.089 . . . . 72.43 109.307 179.982 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.428 HG23 ' HE3' ' A' ' 49' ' ' LYS . 68.2 t -58.12 159.95 1.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.469 1.106 . . . . 73.44 109.273 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.777 HD12 ' N ' ' A' ' 61' ' ' GLY . 0.3 OUTLIER -157.83 116.35 3.14 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.549 1.156 . . . . 71.11 109.315 179.99 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 61' ' ' GLY . . . . . 0.777 ' N ' HD12 ' A' ' 60' ' ' LEU . . . -155.22 25.84 0.61 Allowed Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.525 1.14 . . . . 50.42 111.019 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 3.5 p -149.69 167.62 25.91 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.462 0.742 . . . . 65.31 110.006 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 1.1 p-10 -74.86 -29.74 61.12 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.444 1.09 . . . . 74.12 109.282 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 64' ' ' GLU . . . . . 0.492 ' O ' ' CG2' ' A' ' 68' ' ' VAL . 8.7 tt0 -69.81 -17.79 63.42 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.518 1.136 . . . . 73.33 110.256 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 65' ' ' ASP . . . . . 0.41 ' HB3' HD13 ' A' ' 60' ' ' LEU . 16.0 t0 -109.36 -15.49 14.24 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.513 1.133 . . . . 73.35 109.319 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 66' ' ' TRP . . . . . 0.51 ' CZ2' ' HE2' ' A' ' 70' ' ' LYS . 0.0 OUTLIER -93.17 -22.01 19.31 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.568 1.168 . . . . 73.25 108.024 179.951 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 7.6 t30 -96.53 -36.27 10.82 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.519 1.137 . . . . 64.45 109.312 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.492 ' CG2' ' O ' ' A' ' 64' ' ' GLU . 73.8 t -75.78 -16.79 15.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.593 1.183 . . . . 73.44 109.262 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 69' ' ' ALA . . . . . 0.598 ' HB1' ' CE2' ' A' ' 50' ' ' TYR . . . -89.16 -38.82 14.01 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.538 1.149 . . . . 71.51 109.339 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 70' ' ' LYS . . . . . 0.51 ' HE2' ' CZ2' ' A' ' 66' ' ' TRP . 4.9 mtmp? -70.37 -48.55 55.74 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.529 1.143 . . . . 72.51 109.357 179.932 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 9.6 pt-20 -55.82 -18.9 9.72 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.551 1.157 . . . . 64.35 110.289 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 14.9 ttm -81.63 -29.65 33.14 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.533 1.146 . . . . 74.43 110.964 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.525 HD12 HD13 ' A' ' 5' ' ' ILE . 12.2 mt -52.77 -52.38 56.84 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.121 . . . . 70.45 109.284 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -55.73 -19.43 10.99 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.457 1.098 . . . . 74.33 109.253 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -90.41 -29.29 18.1 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.52 1.137 . . . . 74.24 110.326 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 76' ' ' ASN . . . . . 0.425 ' CB ' ' OE1' ' A' ' 78' ' ' GLU . 4.0 m-20 -84.95 -1.84 57.19 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.532 1.145 . . . . 73.11 109.272 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 3.9 m120 60.66 20.73 10.68 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.481 1.113 . . . . 71.1 109.273 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 78' ' ' GLU . . . . . 0.425 ' OE1' ' CB ' ' A' ' 76' ' ' ASN . 11.1 pt-20 -105.89 148.37 27.68 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.512 1.133 . . . . 74.11 110.298 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 16.1 mtmt -110.67 19.31 18.78 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.514 1.134 . . . . 60.34 109.281 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 80' ' ' PHE . . . . . 0.6 ' CE1' ' CZ ' ' A' ' 8' ' ' ARG . 5.4 p90 -142.57 170.13 16.28 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.499 1.124 . . . . 72.01 110.999 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.94 HD12 ' N ' ' A' ' 82' ' ' ASN . 3.5 tp -136.88 140.91 42.68 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.511 1.132 . . . . 72.32 109.265 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 82' ' ' ASN . . . . . 0.94 ' N ' HD12 ' A' ' 81' ' ' LEU . 1.0 OUTLIER -114.17 119.88 38.6 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.512 1.132 . . . . 64.43 109.298 179.97 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 83' ' ' ILE . . . . . 0.66 HD12 HD12 ' A' ' 48' ' ' ILE . 33.5 mm -101.14 162.66 3.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.491 1.119 . . . . 63.52 109.288 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 84' ' ' ARG . . . . . 0.449 ' N ' HG22 ' A' ' 83' ' ' ILE . 3.4 tpp180 -136.09 120.52 18.08 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.491 1.119 . . . . 74.24 110.293 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.808 HD22 ' CG2' ' A' ' 9' ' ' ILE . 8.8 mp -101.93 147.72 26.2 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.464 1.103 . . . . 70.24 109.322 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 86' ' ' TYR . . . . . 0.571 ' CD1' ' C ' ' A' ' 86' ' ' TYR . 1.5 p90 . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.509 1.13 . . . . 51.21 110.986 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.452 -0.33 0 N-CA-C 109.985 -0.376 . . . . 62.0 109.985 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . 0.585 HD13 ' CD1' ' A' ' 73' ' ' LEU . 44.8 mt -133.5 148.24 30.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.53 1.144 . . . . 61.5 109.296 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.845 HD22 ' H ' ' A' ' 7' ' ' PHE . 1.0 OUTLIER -109.49 146.97 33.7 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.447 1.092 . . . . 72.109999999999999 109.284 -179.997 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . 0.845 ' H ' HD22 ' A' ' 6' ' ' LEU . 1.8 m-30 -120.39 122.78 41.5 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.541 1.151 . . . . 75.409999999999997 110.997 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 8.3 ttp180 -99.24 84.88 3.09 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.508 1.13 . . . . 72.230000000000004 110.325 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 1.038 HG23 HD22 ' A' ' 85' ' ' LEU . 3.2 mp -58.53 110.77 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.479 1.112 . . . . 64.420000000000002 109.245 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . 0.457 ' HA ' HD13 ' A' ' 15' ' ' ILE . 3.8 m . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.532 1.145 . . . . 64.209999999999994 110.003 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.457 HD13 ' HA ' ' A' ' 10' ' ' SER . 15.8 mm . . . . . 0 N--CA 1.453 -0.287 0 N-CA-C 109.279 -0.637 . . . . 74.409999999999997 109.279 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . 0.702 ' HD2' HD13 ' A' ' 9' ' ' ILE . 57.9 t80 -147.38 154.69 41.19 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.477 1.111 . . . . 74.239999999999995 110.98 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.53 ' HB ' HD21 ' A' ' 6' ' ' LEU . 2.2 p -116.79 134.05 55.27 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.54 1.15 . . . . 53.420000000000002 110.336 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.717 HD23 ' C ' ' A' ' 18' ' ' LEU . 3.4 tt -134.42 127.84 32.36 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.482 1.114 . . . . 53.229999999999997 109.281 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.694 ' N ' HD23 ' A' ' 18' ' ' LEU . 0.8 OUTLIER -85.51 112.22 20.72 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.466 1.104 . . . . 65.439999999999998 109.321 179.974 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.525 ' N ' HD13 ' A' ' 19' ' ' LEU . 6.9 p -113.25 122.08 66.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.539 1.149 . . . . 62.350000000000001 109.275 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 0.567 ' HB2' ' CD1' ' A' ' 24' ' ' TRP . 18.9 mm-40 -63.78 167.46 5.96 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.503 1.127 . . . . 53.210000000000001 110.33 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . 0.424 ' HE2' HD11 ' A' ' 5' ' ' ILE . 1.3 mtpm? -93.09 18.55 9.12 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.471 1.107 . . . . 74.430000000000007 109.277 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.501 ' O ' HG22 ' A' ' 23' ' ' VAL . 0.4 OUTLIER -124.2 1.73 5.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 O-C-N 124.504 1.128 . . . . 73.140000000000001 109.297 -179.984 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' TRP . . . . . 0.567 ' CD1' ' HB2' ' A' ' 21' ' ' GLU . 21.1 m0 -93.63 94.81 8.81 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.575 1.172 . . . . 75.019999999999996 108.027 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . 0.529 ' ND2' ' N ' ' A' ' 25' ' ' ASN . 0.1 OUTLIER -50.77 -178.89 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.51 1.131 . . . . 54.140000000000001 109.281 -179.995 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 21.5 p90 -57.48 -28.49 63.45 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.535 1.147 . . . . 74.420000000000002 110.989 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -66.03 -72.89 0.14 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.488 1.118 . . . . 74.450000000000003 109.285 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . 0.479 ' H ' ' ND2' ' A' ' 25' ' ' ASN . 74.7 m-20 -51.41 -32.48 26.48 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.537 1.148 . . . . 74.319999999999993 109.316 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.615 HD12 ' CD1' ' A' ' 33' ' ' ILE . 1.2 tp -60.71 -61.74 2.37 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.492 1.12 . . . . 64.519999999999996 109.276 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 29.0 mm -54.71 -34.37 29.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.518 1.136 . . . . 70.409999999999997 109.293 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 2.9 mmt -76.02 -25.05 55.33 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.476 1.11 . . . . 52.229999999999997 111.0 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . 0.42 ' N ' ' O ' ' A' ' 28' ' ' ASP . . . -68.55 -48.27 64.71 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.513 1.133 . . . . 74.109999999999999 109.302 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.663 ' O ' HG23 ' A' ' 37' ' ' ILE . 4.0 mp -73.17 -38.6 55.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.47 1.106 . . . . 75.010000000000005 109.291 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . 0.474 HD21 HD12 ' A' ' 45' ' ' ILE . 1.4 m-80 -66.02 -15.75 63.31 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.462 1.101 . . . . 74.239999999999995 109.318 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 3.7 m -86.3 -47.55 9.29 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.541 1.151 . . . . 71.439999999999998 109.981 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . 0.488 ' HB3' ' CE2' ' A' ' 16' ' ' PHE . 0.0 OUTLIER -65.52 -47.16 76.88 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.501 1.126 . . . . 73.329999999999998 109.287 -179.993 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . 0.663 HG23 ' O ' ' A' ' 33' ' ' ILE . 1.4 pt -72.49 -9.88 13.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.463 1.102 . . . . 65.439999999999998 109.265 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 3.0 t . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.509 1.13 . . . . 72.319999999999993 110.024 -179.999 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 N--CA 1.453 -0.909 0 N-CA-C 111.029 -0.412 . . . . 73.319999999999993 111.029 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . 0.515 HD12 ' O ' ' A' ' 45' ' ' ILE . 1.5 pp -126.46 151.47 33.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.481 1.113 . . . . 64.420000000000002 109.285 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 15.8 p -120.34 -1.42 10.22 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.513 1.133 . . . . 45.299999999999997 110.397 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 3.0 mtpm? -133.02 126.1 31.17 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.53 1.144 . . . . 75.409999999999997 109.32 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.453 ' HB ' ' CG2' ' A' ' 83' ' ' ILE . 36.1 pt -125.9 129.28 72.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.449 1.093 . . . . 51.109999999999999 109.34 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . 0.451 ' HZ3' ' N ' ' A' ' 59' ' ' VAL . 7.6 tttm -103.28 108.84 20.22 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.443 1.089 . . . . 53.109999999999999 109.345 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' TYR . . . . . 0.695 ' HB2' HD11 ' A' ' 81' ' ' LEU . 7.9 p90 -98.85 149.29 23.06 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.514 1.134 . . . . 62.140000000000001 110.989 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . 0.429 ' O ' ' CD2' ' A' ' 50' ' ' TYR . 44.8 tt0 -76.13 159.48 30.68 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.465 1.103 . . . . 72.140000000000001 110.314 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . 0.643 ' OD2' HG21 ' A' ' 58' ' ' VAL . 22.1 m-20 -121.89 173.12 7.7 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.499 1.124 . . . . 64.430000000000007 109.322 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . 0.492 ' CB ' ' OD1' ' A' ' 76' ' ' ASN . 2.2 pp20? -56.57 -49.44 74.85 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.566 1.166 . . . . 54.450000000000003 110.342 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . 0.439 ' N ' ' CD ' ' A' ' 53' ' ' GLU . 26.8 t70 -52.65 -21.67 4.24 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.486 1.116 . . . . 64.319999999999993 109.279 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 94.52 8.28 59.81 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.462 1.101 . . . . 64.340000000000003 111.027 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -100.75 134.99 42.91 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.53 0.782 . . . . 71.409999999999997 109.28 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . 0.403 ' CD1' ' O ' ' A' ' 57' ' ' PHE . 9.7 p90 -68.81 142.5 54.86 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.508 1.13 . . . . 74.099999999999994 110.976 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.643 HG21 ' OD2' ' A' ' 52' ' ' ASP . 0.0 OUTLIER -139.58 142.65 32.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.547 1.154 . . . . 74.140000000000001 109.302 -179.975 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 0.451 ' N ' ' HZ3' ' A' ' 49' ' ' LYS . 4.4 t -63.75 150.77 9.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.465 1.103 . . . . 72.25 109.315 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.435 HD11 ' HB2' ' A' ' 66' ' ' TRP . 1.3 tp -145.41 114.1 6.81 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.498 1.124 . . . . 71.209999999999994 109.331 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . 0.424 ' N ' HD12 ' A' ' 60' ' ' LEU . . . -151.76 20.73 0.9 Allowed Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.46 1.1 . . . . 73.200000000000003 111.042 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 87.6 p -151.06 173.39 14.4 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.532 0.784 . . . . 63.229999999999997 109.975 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 22.0 t0 -78.36 -30.61 48.1 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.527 1.142 . . . . 62.219999999999999 109.279 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . 0.491 ' O ' ' CG2' ' A' ' 68' ' ' VAL . 2.7 tt0 -69.4 -13.54 62.42 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.479 1.112 . . . . 75.0 110.309 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -111.7 -15.95 13.32 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.493 1.121 . . . . 62.310000000000002 109.305 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' TRP . . . . . 0.578 ' CE3' ' O ' ' A' ' 66' ' ' TRP . 3.8 t-105 -92.41 -24.04 18.99 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.532 1.145 . . . . 71.239999999999995 107.984 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 75.4 m-20 -94.47 -49.69 5.56 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.511 1.132 . . . . 61.329999999999998 109.301 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . 0.491 ' CG2' ' O ' ' A' ' 64' ' ' GLU . 12.4 t -50.08 -24.01 1.79 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.501 1.126 . . . . 74.019999999999996 109.28 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . 0.592 ' HB2' ' CE2' ' A' ' 50' ' ' TYR . . . -87.57 -41.83 13.17 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.452 1.095 . . . . 53.439999999999998 109.32 -179.948 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . 0.823 ' HA ' HD12 ' A' ' 73' ' ' LEU . 4.7 mtmp? -54.53 -55.72 26.26 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.485 1.116 . . . . 64.549999999999997 109.288 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 18.5 mt-10 -52.29 -20.91 2.99 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.526 1.141 . . . . 74.420000000000002 110.306 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' MET . . . . . 0.418 ' O ' ' N ' ' A' ' 75' ' ' GLU . 17.8 ttm -81.52 -36.4 29.23 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.583 1.177 . . . . 75.420000000000002 111.01 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.823 HD12 ' HA ' ' A' ' 70' ' ' LYS . 17.4 mt -47.13 -46.09 22.87 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.546 1.154 . . . . 72.129999999999995 109.316 -179.947 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -59.59 -35.33 74.09 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.509 1.131 . . . . 64.219999999999999 109.276 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . 0.418 ' N ' ' O ' ' A' ' 72' ' ' MET . 10.2 mm-40 -78.98 -23.31 44.54 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.528 1.143 . . . . 74.129999999999995 110.283 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' ASN . . . . . 0.492 ' OD1' ' CB ' ' A' ' 53' ' ' GLU . 72.4 m-20 -91.9 -15.08 28.59 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.53 1.144 . . . . 51.450000000000003 109.28 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' ASN . . . . . 0.442 ' N ' ' O ' ' A' ' 73' ' ' LEU . 44.9 m-80 61.6 38.17 15.64 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.488 1.118 . . . . 75.439999999999998 109.292 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . 0.555 ' HB2' ' CZ ' ' A' ' 80' ' ' PHE . 4.7 pt-20 -126.27 121.42 32.6 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.472 1.107 . . . . 74.239999999999995 110.288 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -85.18 3.8 37.48 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.463 1.102 . . . . 74.329999999999998 109.286 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 80' ' ' PHE . . . . . 0.555 ' CZ ' ' HB2' ' A' ' 78' ' ' GLU . 5.1 p90 -115.46 -179.83 3.76 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.537 1.148 . . . . 64.010000000000005 111.013 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.905 HD13 ' N ' ' A' ' 82' ' ' ASN . 2.1 tm? -152.93 160.05 43.01 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.481 1.113 . . . . 64.310000000000002 109.275 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 82' ' ' ASN . . . . . 0.905 ' N ' HD13 ' A' ' 81' ' ' LEU . 1.1 t30 -126.76 127.25 44.76 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.519 1.137 . . . . 71.109999999999999 109.32 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . 0.453 ' CG2' ' HB ' ' A' ' 48' ' ' ILE . 45.7 mm -120.02 148.1 23.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.457 1.098 . . . . 65.510000000000005 109.322 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 84' ' ' ARG . . . . . 0.735 ' O ' HD12 ' A' ' 85' ' ' LEU . 10.2 tpt180 -108.58 134.18 51.69 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.467 1.104 . . . . 63.130000000000003 110.288 -179.939 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 1.038 HD22 HG23 ' A' ' 9' ' ' ILE . 6.7 mp -127.1 107.61 10.19 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.51 1.131 . . . . 75.230000000000004 109.309 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 39.6 p90 . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.541 1.15 . . . . 74.230000000000004 110.994 -179.957 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . 0.732 ' CB ' HD11 ' A' ' 19' ' ' LEU . 0.7 OUTLIER . . . . . 0 N--CA 1.453 -0.292 0 N-CA-C 110.025 -0.361 . . . . 72.319999999999993 110.025 . . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . 0.51 HD13 HD22 ' A' ' 73' ' ' LEU . 56.7 mt -135.01 150.82 30.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.505 1.128 . . . . 72.450000000000003 109.3 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.981 HD13 ' N ' ' A' ' 7' ' ' PHE . 3.0 tm? -99.75 148.92 23.87 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.518 1.136 . . . . 72.340000000000003 109.294 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . 0.981 ' N ' HD13 ' A' ' 6' ' ' LEU . 1.9 m-85 -124.09 126.55 46.41 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.492 1.12 . . . . 74.310000000000002 110.993 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 1.2 mpt_? -95.59 85.12 4.09 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.47 1.107 . . . . 72.200000000000003 110.315 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.886 HG23 HD23 ' A' ' 85' ' ' LEU . 5.2 mp -77.18 115.67 19.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.506 1.129 . . . . 74.329999999999998 109.323 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . 0.411 ' O ' ' N ' ' A' ' 85' ' ' LEU . 2.6 p . . . . . 0 C--N 1.325 -0.477 0 O-C-N 124.522 1.139 . . . . 71.230000000000004 109.997 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 3.4 mm . . . . . 0 N--CA 1.453 -0.288 0 N-CA-C 109.274 -0.639 . . . . 62.420000000000002 109.274 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 90.7 m-85 -123.17 141.28 52.14 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.519 1.137 . . . . 74.099999999999994 110.986 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.521 HG22 HD11 ' A' ' 6' ' ' LEU . 2.4 p -98.16 142.21 30.13 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.484 1.115 . . . . 64.140000000000001 110.348 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.693 HD11 ' HB1' ' A' ' 32' ' ' ALA . 2.3 tm? -153.86 111.79 3.54 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.565 1.166 . . . . 72.099999999999994 109.267 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.732 HD11 ' CB ' ' A' ' 4' ' ' SER . 0.2 OUTLIER -61.66 118.14 6.7 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.529 1.143 . . . . 73.349999999999994 109.301 179.992 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.897 HG21 ' CG ' ' A' ' 7' ' ' PHE . 2.3 t -114.32 100.59 10.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.479 1.112 . . . . 73.409999999999997 109.305 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 0.555 ' HB2' ' CD1' ' A' ' 24' ' ' TRP . 63.1 mt-10 -54.75 163.04 1.03 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.469 1.106 . . . . 53.340000000000003 110.259 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 23.0 mttt -90.26 15.64 10.07 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.538 1.149 . . . . 61.219999999999999 109.29 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.457 HG12 ' HB3' ' A' ' 21' ' ' GLU . 0.2 OUTLIER -116.43 -38.63 2.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.126 . . . . 62.450000000000003 109.28 -179.987 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' TRP . . . . . 0.555 ' CZ3' ' O ' ' A' ' 19' ' ' LEU . 33.9 m0 -45.77 153.94 0.25 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.502 1.126 . . . . 74.140000000000001 108.011 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 20.7 p-10 -113.37 -174.95 2.56 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.548 1.155 . . . . 61.25 109.292 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 5.3 p90 -55.95 -29.06 59.59 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.522 1.139 . . . . 73.310000000000002 110.96 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 3.9 t70 -74.85 -73.87 0.22 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.495 1.122 . . . . 70.019999999999996 109.307 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . 0.44 ' O ' ' N ' ' A' ' 32' ' ' ALA . 49.7 m-20 -42.0 -37.24 1.31 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.525 1.14 . . . . 61.32 109.334 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.708 HD12 HD13 ' A' ' 33' ' ' ILE . 3.2 tp -54.67 -56.69 16.51 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.472 1.107 . . . . 62.399999999999999 109.269 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 32.1 mm -57.03 -49.51 79.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.469 1.106 . . . . 64.319999999999993 109.297 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 39.5 mtp -62.85 -22.6 66.8 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.476 1.11 . . . . 75.129999999999995 110.973 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . 0.693 ' HB1' HD11 ' A' ' 18' ' ' LEU . . . -73.4 -52.3 14.24 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.443 1.09 . . . . 54.350000000000001 109.316 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.708 HD13 HD12 ' A' ' 29' ' ' LEU . 2.2 mp -67.67 -33.34 61.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.536 1.147 . . . . 73.109999999999999 109.292 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -59.69 -16.41 26.52 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.478 1.111 . . . . 75.030000000000001 109.293 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 8.2 t -83.68 -32.13 25.75 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.533 1.145 . . . . 70.209999999999994 109.978 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . 0.623 ' CE ' HD23 ' A' ' 18' ' ' LEU . 0.6 OUTLIER -82.11 -38.1 25.31 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.501 1.125 . . . . 74.430000000000007 109.314 -179.957 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . 0.714 HD13 HG23 ' A' ' 45' ' ' ILE . 3.6 pt -87.29 10.75 1.56 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.503 1.127 . . . . 73.129999999999995 109.318 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.498 1.124 . . . . 52.25 109.986 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 N--CA 1.453 -0.855 0 N-CA-C 111.004 -0.422 . . . . 74.109999999999999 111.004 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . 0.714 HG23 HD13 ' A' ' 37' ' ' ILE . 40.6 pt -102.19 123.53 55.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.558 1.161 . . . . 74.030000000000001 109.296 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -100.37 4.81 44.19 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.527 1.142 . . . . 75.129999999999995 110.418 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 10.4 ptmm? -163.97 133.82 4.09 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.533 1.145 . . . . 71.109999999999999 109.31 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.69 HG22 HD12 ' A' ' 45' ' ' ILE . 42.9 pt -121.87 133.8 67.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.461 1.101 . . . . 73.549999999999997 109.299 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 8.3 ttmm -103.24 103.49 13.53 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.487 1.117 . . . . 73.209999999999994 109.306 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' TYR . . . . . 0.644 ' HA ' HD13 ' A' ' 83' ' ' ILE . 6.5 p90 -95.48 145.85 24.87 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.476 1.11 . . . . 73.219999999999999 110.983 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . 0.453 ' O ' ' CD2' ' A' ' 50' ' ' TYR . 48.7 tt0 -72.98 163.51 28.06 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.547 1.154 . . . . 75.5 110.267 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . 0.426 ' N ' ' CG ' ' A' ' 51' ' ' GLN . 3.8 t70 -118.28 -174.95 2.77 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.501 1.125 . . . . 72.329999999999998 109.278 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 23.1 pt-20 -73.55 -37.28 65.61 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.545 1.153 . . . . 72.120000000000005 110.295 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 17.6 t70 -68.48 -15.56 63.59 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.516 1.135 . . . . 62.219999999999999 109.305 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 91.79 15.72 53.76 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.485 1.116 . . . . 63.409999999999997 110.981 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 24.0 m-20 -104.78 126.99 52.42 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.486 0.756 . . . . 75.030000000000001 109.27 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 12.6 p90 -62.49 140.18 58.6 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.552 1.158 . . . . 74.310000000000002 110.994 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.577 HG23 ' CE1' ' A' ' 50' ' ' TYR . 0.1 OUTLIER -140.53 138.73 35.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.536 1.147 . . . . 73.519999999999996 109.347 179.991 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 58.8 t -62.06 151.96 7.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.496 1.122 . . . . 75.409999999999997 109.264 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.64 HD21 HD21 ' A' ' 29' ' ' LEU . 1.5 tp -144.85 113.36 6.65 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.522 1.139 . . . . 63.240000000000002 109.328 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . 0.429 ' N ' HD12 ' A' ' 60' ' ' LEU . . . -152.0 22.46 0.89 Allowed Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.542 1.151 . . . . 73.200000000000003 111.032 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 7.9 m -150.39 171.1 17.56 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.468 0.746 . . . . 55.100000000000001 109.993 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -74.77 -30.02 61.32 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 62.310000000000002 109.255 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . 0.498 ' O ' ' CG2' ' A' ' 68' ' ' VAL . 19.3 tt0 -75.72 -9.77 58.87 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.501 1.125 . . . . 73.200000000000003 110.288 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -106.6 -18.4 13.97 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.48 1.112 . . . . 70.400000000000006 109.311 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' TRP . . . . . 0.592 ' CE3' ' O ' ' A' ' 66' ' ' TRP . 3.7 t-105 -100.35 -21.9 15.26 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 107.98 -1.119 . . . . 71.140000000000001 107.98 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 3.2 t30 -90.67 -42.7 10.6 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.506 1.129 . . . . 65.200000000000003 109.347 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . 0.498 ' CG2' ' O ' ' A' ' 64' ' ' GLU . 16.3 t -60.24 -27.52 39.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.446 1.091 . . . . 72.349999999999994 109.266 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . 0.636 ' HB2' ' CE2' ' A' ' 50' ' ' TYR . . . -79.68 -47.61 15.06 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.469 1.106 . . . . 41.109999999999999 109.322 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . 0.559 ' HD3' ' CZ2' ' A' ' 66' ' ' TRP . 2.2 mtmp? -51.81 -61.29 2.35 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.474 1.108 . . . . 71.219999999999999 109.296 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 15.1 mm-40 -45.25 -25.6 0.4 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.523 1.139 . . . . 72.140000000000001 110.312 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' MET . . . . . 0.409 ' N ' ' C ' ' A' ' 70' ' ' LYS . 3.8 ttp -79.44 -43.16 23.82 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.503 1.127 . . . . 64.019999999999996 110.988 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.51 HD22 HD13 ' A' ' 5' ' ' ILE . 6.3 mp -51.25 -49.34 61.34 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.538 1.149 . . . . 73.219999999999999 109.314 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -52.4 -27.16 14.64 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.492 1.12 . . . . 63.130000000000003 109.344 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 18.7 mm-40 -92.58 -26.4 17.9 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.481 1.113 . . . . 73.439999999999998 110.271 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 80.8 m-20 -82.26 -15.46 52.98 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.542 1.152 . . . . 74.239999999999995 109.291 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 2.9 m-80 60.15 42.58 15.27 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.508 1.13 . . . . 71.420000000000002 109.355 -179.922 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 8.4 pt-20 -118.13 140.53 49.64 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.454 1.096 . . . . 75.010000000000005 110.278 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 35.7 mmtt -105.38 17.22 24.3 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.504 1.127 . . . . 73.409999999999997 109.296 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 9.7 p90 -139.86 177.45 7.95 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.501 1.125 . . . . 71.349999999999994 111.028 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.923 HD13 ' CZ ' ' A' ' 7' ' ' PHE . 3.1 tt -146.69 166.41 26.66 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.534 1.146 . . . . 72.239999999999995 109.268 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 82' ' ' ASN . . . . . 0.799 ' N ' HD23 ' A' ' 81' ' ' LEU . 1.0 OUTLIER -125.65 125.99 43.98 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.534 1.146 . . . . 75.319999999999993 109.283 179.969 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . 0.644 HD13 ' HA ' ' A' ' 50' ' ' TYR . 27.0 mm -129.89 145.45 35.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.445 1.09 . . . . 75.540000000000006 109.34 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 84' ' ' ARG . . . . . 0.785 ' C ' HD22 ' A' ' 85' ' ' LEU . 3.8 ttp-105 -123.88 140.31 53.11 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.551 1.157 . . . . 75.299999999999997 110.317 179.945 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.886 HD23 HG23 ' A' ' 9' ' ' ILE . 2.9 mm? -145.0 140.86 28.46 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.471 1.107 . . . . 64.299999999999997 109.325 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 86' ' ' TYR . . . . . 0.431 ' N ' ' CD1' ' A' ' 86' ' ' TYR . 10.9 p90 . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.508 1.13 . . . . 52.409999999999997 111.01 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . 0.561 ' CB ' HD11 ' A' ' 19' ' ' LEU . 0.9 OUTLIER . . . . . 0 N--CA 1.453 -0.291 0 N-CA-C 109.966 -0.383 . . . . 74.340000000000003 109.966 . . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 13.1 mt -131.09 143.78 39.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.532 1.145 . . . . 62.310000000000002 109.309 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 3.8 tp -96.93 139.77 32.47 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 75.019999999999996 109.288 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . 0.615 ' CG ' HG11 ' A' ' 20' ' ' VAL . 2.7 m-30 -117.17 119.76 36.21 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.527 1.142 . . . . 74.439999999999998 111.014 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . 0.747 ' HG2' HG23 ' A' ' 15' ' ' ILE . 2.9 ttm180 -87.44 98.54 11.43 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.538 1.149 . . . . 72.439999999999998 110.269 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.48 HD12 ' O ' ' A' ' 7' ' ' PHE . 3.9 mp -89.68 117.56 33.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.469 1.105 . . . . 75.209999999999994 109.286 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 1.2 t . . . . . 0 C--N 1.324 -0.509 0 O-C-N 124.478 1.111 . . . . 71.010000000000005 109.977 -179.987 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.747 HG23 ' HG2' ' A' ' 8' ' ' ARG . 14.0 mm . . . . . 0 N--CA 1.452 -0.339 0 N-CA-C 109.345 -0.613 . . . . 74.549999999999997 109.345 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 2.7 t80 -125.31 158.68 33.58 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.541 1.151 . . . . 71.129999999999995 110.958 -179.934 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 2.2 p -116.52 145.34 43.4 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.454 1.096 . . . . 70.310000000000002 110.377 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.782 HD23 ' CE ' ' A' ' 36' ' ' LYS . 0.9 OUTLIER -152.61 106.45 3.09 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.552 1.157 . . . . 72.219999999999999 109.25 179.994 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.561 HD11 ' CB ' ' A' ' 4' ' ' SER . 0.2 OUTLIER -65.09 103.61 0.78 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.522 1.139 . . . . 71.329999999999998 109.321 179.955 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.615 HG11 ' CG ' ' A' ' 7' ' ' PHE . 3.2 p -108.86 115.48 49.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.545 1.153 . . . . 73.400000000000006 109.284 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 0.562 ' HB2' ' CD1' ' A' ' 24' ' ' TRP . 7.6 mm-40 -59.45 166.37 2.38 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.517 1.136 . . . . 75.129999999999995 110.25 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 19.5 mttt -86.3 9.49 17.68 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.491 1.119 . . . . 75.409999999999997 109.246 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.524 HG12 ' HB3' ' A' ' 21' ' ' GLU . 0.9 OUTLIER -113.46 -12.61 11.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.49 1.119 . . . . 72.129999999999995 109.32 179.996 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' TRP . . . . . 0.562 ' CD1' ' HB2' ' A' ' 21' ' ' GLU . 39.5 m0 -70.13 98.23 1.3 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.512 1.133 . . . . 74.409999999999997 107.965 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . 0.517 ' HA ' ' CE2' ' A' ' 66' ' ' TRP . 11.3 p-10 -63.25 179.7 0.39 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.451 1.094 . . . . 62.530000000000001 109.28 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . 0.556 ' CE2' ' OD2' ' A' ' 27' ' ' ASP . 20.2 p90 -49.5 -40.45 37.54 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.508 1.13 . . . . 70.019999999999996 110.969 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . 0.556 ' OD2' ' CE2' ' A' ' 26' ' ' PHE . 40.3 m-20 -62.72 -62.43 1.73 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.536 1.148 . . . . 62.520000000000003 109.316 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . 0.417 ' O ' ' HB2' ' A' ' 32' ' ' ALA . 50.1 t0 -54.14 -24.51 18.1 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.428 1.08 . . . . 64.439999999999998 109.292 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.679 ' CD2' HD21 ' A' ' 60' ' ' LEU . 0.4 OUTLIER -69.46 -57.7 4.91 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.508 1.13 . . . . 62.210000000000001 109.283 179.986 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . 0.457 ' CD1' HG12 ' A' ' 48' ' ' ILE . 35.8 mm -59.33 -34.69 54.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.522 1.138 . . . . 61.219999999999999 109.271 -179.949 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 3.5 mmm -76.36 -28.39 56.8 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.45 1.094 . . . . 72.099999999999994 110.999 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . 0.634 ' HB1' HD11 ' A' ' 18' ' ' LEU . . . -60.21 -60.83 3.2 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.539 1.149 . . . . 65.319999999999993 109.309 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.572 ' H ' HD12 ' A' ' 33' ' ' ILE . 3.6 mp -60.49 -47.04 94.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.494 1.121 . . . . 75.329999999999998 109.291 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 1.4 m-80 -54.65 -20.12 7.51 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.481 1.113 . . . . 74.430000000000007 109.316 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 1.4 t -77.92 -40.73 38.74 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.498 1.124 . . . . 70.450000000000003 110.0 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . 0.782 ' CE ' HD23 ' A' ' 18' ' ' LEU . 0.1 OUTLIER -70.41 -38.37 74.63 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.513 1.133 . . . . 74.040000000000006 109.295 179.993 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . 0.665 HD13 HD11 ' A' ' 45' ' ' ILE . 0.4 OUTLIER -88.49 -3.9 9.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.448 1.092 . . . . 72.140000000000001 109.294 -179.995 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . 0.4 ' C ' ' O ' ' A' ' 37' ' ' ILE . 27.4 t . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.521 1.138 . . . . 43.119999999999997 110.022 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo . . . . . 0 N--CA 1.453 -0.88 0 N-CA-C 111.002 -0.422 . . . . 75.120000000000005 111.002 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . 0.718 HD12 ' O ' ' A' ' 45' ' ' ILE . 1.4 pp -116.89 117.37 55.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 O-C-N 124.537 1.148 . . . . 74.310000000000002 109.305 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 6.8 p -99.51 36.36 1.78 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.493 1.12 . . . . 75.310000000000002 110.43 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -168.96 126.9 1.0 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.467 1.104 . . . . 64.530000000000001 109.299 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.576 ' CD1' HD11 ' A' ' 29' ' ' LEU . 4.4 pt -125.18 149.5 29.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.472 1.108 . . . . 73.310000000000002 109.27 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 1.2 ttmp? -110.84 108.81 18.75 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.477 1.111 . . . . 75.209999999999994 109.339 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' TYR . . . . . 0.673 ' HB2' HD21 ' A' ' 81' ' ' LEU . 9.7 p90 -100.48 149.9 23.21 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.475 1.109 . . . . 74.409999999999997 111.019 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 44.7 tt0 -85.73 154.26 21.75 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.488 1.118 . . . . 64.420000000000002 110.34 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 7.5 t0 -115.58 -174.9 2.6 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.487 1.117 . . . . 74.219999999999999 109.323 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 2.4 pp20? -68.93 -34.34 75.21 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.503 1.127 . . . . 74.040000000000006 110.329 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 37.1 t70 -64.97 -16.02 62.9 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.468 1.105 . . . . 73.040000000000006 109.287 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 85.77 8.82 79.18 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.549 1.155 . . . . 63.399999999999999 111.003 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 2.7 t70 -99.13 139.46 34.74 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.496 0.763 . . . . 74.430000000000007 109.291 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 21.8 p90 -70.11 143.33 52.42 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.488 1.118 . . . . 74.219999999999999 110.989 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.491 HG23 ' CE1' ' A' ' 50' ' ' TYR . 0.1 OUTLIER -145.91 135.12 17.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.481 1.113 . . . . 71.540000000000006 109.256 -179.974 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 4.3 p -67.01 155.02 7.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.517 1.136 . . . . 61.409999999999997 109.354 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.981 HD12 ' N ' ' A' ' 61' ' ' GLY . 0.3 OUTLIER -141.33 122.86 15.06 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.508 1.13 . . . . 64.439999999999998 109.275 -179.95 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . 0.981 ' N ' HD12 ' A' ' 60' ' ' LEU . . . -165.12 28.75 0.2 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.549 1.155 . . . . 60.340000000000003 110.936 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 11.8 m -161.85 162.71 29.44 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.495 0.762 . . . . 52.310000000000002 110.005 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . 0.443 ' OD1' ' ND2' ' A' ' 67' ' ' ASN . 25.4 t70 -65.34 -20.99 66.64 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.509 1.131 . . . . 61.020000000000003 109.339 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . 0.428 ' OE1' HG21 ' A' ' 68' ' ' VAL . 18.2 tp10 -77.1 -18.69 57.8 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.459 1.099 . . . . 71.340000000000003 110.322 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . 0.473 ' CB ' HD13 ' A' ' 60' ' ' LEU . 4.1 m-20 -108.05 -13.69 14.89 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.542 1.151 . . . . 71.329999999999998 109.283 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' TRP . . . . . 0.596 ' CZ3' ' OD1' ' A' ' 67' ' ' ASN . 8.3 t90 -90.81 -28.51 18.16 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.558 1.161 . . . . 74.439999999999998 107.973 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . 0.596 ' OD1' ' CZ3' ' A' ' 66' ' ' TRP . 42.0 m-20 -89.6 -49.2 6.8 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.472 1.107 . . . . 73.099999999999994 109.279 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . 0.428 HG21 ' OE1' ' A' ' 64' ' ' GLU . 62.9 t -62.1 -15.32 13.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.48 1.113 . . . . 62.240000000000002 109.324 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . 0.446 ' CB ' ' CE2' ' A' ' 50' ' ' TYR . . . -91.96 -40.21 11.25 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.531 1.144 . . . . 42.340000000000003 109.32 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . 0.485 ' HZ1' ' HA ' ' A' ' 67' ' ' ASN . 10.8 mtmm -66.87 -58.84 4.22 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.501 1.126 . . . . 73.409999999999997 109.323 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 76.7 mt-10 -44.24 -27.73 0.45 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.518 1.136 . . . . 74.140000000000001 110.283 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 1.5 tpt -69.18 -42.1 76.28 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.535 1.147 . . . . 72.219999999999999 111.0 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.495 HD11 HD12 ' A' ' 81' ' ' LEU . 5.2 mt -54.03 -45.21 71.53 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.512 1.132 . . . . 71.129999999999995 109.29 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -56.79 -32.99 66.22 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.499 1.124 . . . . 71.200000000000003 109.294 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 53.2 mt-10 -84.7 -21.42 30.15 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.564 1.165 . . . . 70.239999999999995 110.312 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 81.4 m-20 -89.83 -14.03 35.27 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.462 1.102 . . . . 72.25 109.261 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 25.0 m-80 60.8 39.83 16.67 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.522 1.139 . . . . 70.519999999999996 109.272 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -121.22 154.95 35.61 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.522 1.138 . . . . 72.340000000000003 110.332 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 15.3 mmtp -113.37 15.32 19.22 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.493 1.12 . . . . 74.329999999999998 109.302 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 8.0 p90 -135.81 174.18 10.9 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.467 1.104 . . . . 73.109999999999999 111.014 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.749 HD23 ' H ' ' A' ' 82' ' ' ASN . 1.2 tt -140.4 166.36 24.93 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.506 1.129 . . . . 70.040000000000006 109.308 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 82' ' ' ASN . . . . . 0.749 ' H ' HD23 ' A' ' 81' ' ' LEU . 1.4 t30 -127.24 107.65 10.19 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.492 1.12 . . . . 53.200000000000003 109.326 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . 0.737 HD11 HD22 ' A' ' 81' ' ' LEU . 17.6 mm -108.7 149.82 11.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.482 1.114 . . . . 61.210000000000001 109.294 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 19.3 ttm-85 -116.44 146.86 42.22 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.523 1.139 . . . . 75.340000000000003 110.343 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.635 HD21 HG12 ' A' ' 45' ' ' ILE . 7.2 tp -145.68 116.22 7.62 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.489 1.118 . . . . 44.109999999999999 109.287 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 29.0 p90 . . . . . 0 C--N 1.324 -0.51 0 O-C-N 124.569 1.168 . . . . 74.510000000000005 110.98 179.997 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . 0.787 ' N ' ' HZ2' ' A' ' 22' ' ' LYS . 0.7 OUTLIER . . . . . 0 N--CA 1.452 -0.327 0 N-CA-C 109.995 -0.372 . . . . 72.409999999999997 109.995 . . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 18.2 mt -122.84 144.98 30.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.479 1.112 . . . . 73.430000000000007 109.296 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.89 HD22 ' H ' ' A' ' 7' ' ' PHE . 0.9 OUTLIER -103.35 145.02 30.59 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.445 1.091 . . . . 73.239999999999995 109.304 179.989 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . 0.89 ' H ' HD22 ' A' ' 6' ' ' LEU . 1.8 m-85 -124.14 120.14 31.47 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.476 1.11 . . . . 72.209999999999994 110.993 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . 0.456 ' CG ' ' HA ' ' A' ' 82' ' ' ASN . 3.8 ptp85 -106.25 77.38 1.22 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.494 1.121 . . . . 73.519999999999996 110.288 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.475 ' CG2' HD12 ' A' ' 85' ' ' LEU . 3.1 mp -47.16 108.77 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.502 1.126 . . . . 75.230000000000004 109.346 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 29.9 m . . . . . 0 C--N 1.325 -0.494 0 O-C-N 124.501 1.126 . . . . 73.340000000000003 110.027 179.986 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 8.8 mm . . . . . 0 N--CA 1.453 -0.318 0 N-CA-C 109.296 -0.631 . . . . 74.519999999999996 109.296 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . 0.462 ' O ' ' N ' ' A' ' 9' ' ' ILE . 5.8 t80 -157.84 146.16 19.01 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.538 1.149 . . . . 61.149999999999999 111.004 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 1.8 p -107.87 157.65 18.0 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.513 1.133 . . . . 75.299999999999997 110.407 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.644 HD13 ' O ' ' A' ' 18' ' ' LEU . 0.3 OUTLIER -165.39 119.81 1.26 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.529 1.143 . . . . 41.219999999999999 109.323 -179.981 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.665 HD13 ' N ' ' A' ' 20' ' ' VAL . 0.2 OUTLIER -77.16 127.04 31.93 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.492 1.12 . . . . 62.310000000000002 109.337 179.984 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.665 ' N ' HD13 ' A' ' 19' ' ' LEU . 14.6 p -129.74 121.8 53.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.503 1.127 . . . . 72.209999999999994 109.297 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 0.524 ' HB3' HG12 ' A' ' 23' ' ' VAL . 42.5 mt-10 -63.26 165.13 7.8 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.498 1.124 . . . . 72.209999999999994 110.286 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . 0.787 ' HZ2' ' N ' ' A' ' 4' ' ' SER . 13.9 mttt -89.35 13.9 12.46 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.502 1.126 . . . . 63.340000000000003 109.305 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.524 HG12 ' HB3' ' A' ' 21' ' ' GLU . 0.2 OUTLIER -110.9 -34.51 2.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.469 1.105 . . . . 74.200000000000003 109.324 -179.992 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' TRP . . . . . 0.516 ' CD1' ' HB2' ' A' ' 21' ' ' GLU . 13.3 m0 -58.5 100.47 0.06 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.51 1.131 . . . . 64.420000000000002 107.984 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . 0.443 ' OD1' ' CB ' ' A' ' 27' ' ' ASP . 22.8 p30 -55.26 -174.55 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.454 1.096 . . . . 65.420000000000002 109.313 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 7.8 p90 -61.54 -28.37 69.28 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.524 1.14 . . . . 73.439999999999998 111.005 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . 0.443 ' CB ' ' OD1' ' A' ' 25' ' ' ASN . 1.6 t70 -67.26 -65.9 0.63 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.5 1.125 . . . . 63.32 109.346 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . 0.448 ' O ' ' HB2' ' A' ' 32' ' ' ALA . 5.3 m-20 -56.88 -34.93 68.36 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.452 1.095 . . . . 74.540000000000006 109.307 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.951 HD21 HD21 ' A' ' 60' ' ' LEU . 0.6 OUTLIER -55.75 -47.26 77.28 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.462 1.101 . . . . 70.450000000000003 109.248 179.998 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . 0.58 HD11 HG12 ' A' ' 48' ' ' ILE . 25.2 mm -70.72 -52.39 28.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.559 1.162 . . . . 62.350000000000001 109.282 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 9.2 mmt -60.09 -16.04 28.35 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.47 1.106 . . . . 62.0 110.997 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . 0.448 ' HB2' ' O ' ' A' ' 28' ' ' ASP . . . -75.95 -66.78 0.75 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.503 1.127 . . . . 72.019999999999996 109.257 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.507 ' H ' HD12 ' A' ' 33' ' ' ILE . 4.3 mp -61.01 -30.27 47.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.527 1.142 . . . . 73.239999999999995 109.317 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -65.83 -11.54 47.24 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.473 1.108 . . . . 60.350000000000001 109.315 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 17.8 t -103.27 -30.8 10.42 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.534 1.146 . . . . 75.310000000000002 109.998 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . 0.568 ' HE2' HD23 ' A' ' 18' ' ' LEU . 16.3 mmtm -74.09 -36.65 64.29 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.535 1.147 . . . . 70.150000000000006 109.301 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . 0.497 HG23 ' O ' ' A' ' 33' ' ' ILE . 5.9 pt -86.29 -7.9 11.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.529 1.143 . . . . 71.150000000000006 109.327 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 2.7 p . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.478 1.112 . . . . 62.450000000000003 109.918 -179.943 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo . . . . . 0 N--CA 1.453 -0.858 0 N-CA-C 110.97 -0.434 . . . . 74.120000000000005 110.97 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . 0.71 HD12 ' O ' ' A' ' 45' ' ' ILE . 1.5 pp -144.27 104.84 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.533 1.146 . . . . 75.439999999999998 109.328 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 6.2 t -79.39 2.94 19.9 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.493 1.12 . . . . 74.400000000000006 110.355 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . 0.53 ' HD2' HG21 ' A' ' 59' ' ' VAL . 18.0 mmtp -126.6 123.11 36.89 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.508 1.13 . . . . 74.540000000000006 109.294 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.58 HG12 HD11 ' A' ' 30' ' ' ILE . 11.7 pt -123.27 120.13 59.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.544 1.153 . . . . 70.310000000000002 109.282 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 24.7 mttp -88.56 91.72 8.91 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.532 1.145 . . . . 60.420000000000002 109.296 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' TYR . . . . . 0.602 ' CE1' HG23 ' A' ' 58' ' ' VAL . 9.5 p90 -86.09 148.62 25.62 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.453 1.096 . . . . 74.140000000000001 111.006 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 40.8 tt0 -77.31 156.37 31.37 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.461 1.101 . . . . 72.219999999999999 110.25 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 2.1 p-10 -122.52 -177.29 3.59 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.472 1.107 . . . . 73.420000000000002 109.3 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 19.1 pt-20 -60.31 -46.1 91.06 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.458 1.099 . . . . 72.120000000000005 110.308 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 7.9 t70 -50.63 -25.67 4.48 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.473 1.108 . . . . 73.349999999999994 109.304 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 95.65 12.05 54.2 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.495 1.122 . . . . 53.229999999999997 110.979 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 6.2 t70 -103.03 171.58 7.3 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.511 0.771 . . . . 74.329999999999998 109.289 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 96.9 m-85 -99.0 139.18 35.02 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.492 1.12 . . . . 64.420000000000002 110.968 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.602 HG23 ' CE1' ' A' ' 50' ' ' TYR . 0.2 OUTLIER -138.92 139.98 39.54 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.475 1.11 . . . . 51.409999999999997 109.32 179.993 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 0.53 HG21 ' HD2' ' A' ' 47' ' ' LYS . 12.2 p -66.28 144.15 14.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.489 1.118 . . . . 72.129999999999995 109.334 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.951 HD21 HD21 ' A' ' 29' ' ' LEU . 1.2 tp -131.01 112.49 12.97 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.508 1.13 . . . . 70.219999999999999 109.327 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . 0.488 ' N ' HD12 ' A' ' 60' ' ' LEU . . . -151.89 24.01 0.91 Allowed Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.494 1.121 . . . . 61.439999999999998 111.016 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -148.21 157.24 43.38 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.508 0.77 . . . . 64.030000000000001 110.011 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . 0.428 ' O ' ' N ' ' A' ' 67' ' ' ASN . 1.4 p30 -65.13 -31.6 72.88 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.496 1.122 . . . . 74.129999999999995 109.284 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . 0.621 ' O ' HG23 ' A' ' 68' ' ' VAL . 46.2 mt-10 -72.61 -32.83 66.25 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.503 1.127 . . . . 43.240000000000002 110.299 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -83.64 -15.52 48.61 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.544 1.153 . . . . 63.420000000000002 109.275 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' TRP . . . . . 0.742 ' HB2' HD11 ' A' ' 60' ' ' LEU . 10.9 t-105 -100.24 -23.68 14.75 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.507 1.13 . . . . 71.400000000000006 107.99 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . 0.428 ' N ' ' O ' ' A' ' 63' ' ' ASP . 5.9 t30 -88.68 -48.79 7.28 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.469 1.105 . . . . 75.0 109.256 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . 0.621 HG23 ' O ' ' A' ' 64' ' ' GLU . 76.9 t -60.3 -25.27 33.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.514 1.134 . . . . 62.420000000000002 109.293 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . 0.48 ' CB ' ' CE2' ' A' ' 50' ' ' TYR . . . -78.57 -48.29 15.51 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.502 1.126 . . . . 73.010000000000005 109.269 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . 0.437 ' HD3' ' CZ2' ' A' ' 66' ' ' TRP . 28.9 mtmt -52.77 -53.75 43.74 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.514 1.134 . . . . 73.420000000000002 109.294 -179.951 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 31.2 mm-40 -54.18 -19.37 5.01 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.528 1.142 . . . . 71.019999999999996 110.295 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' MET . . . . . 0.405 ' O ' ' N ' ' A' ' 76' ' ' ASN . 5.2 ttm -78.45 -34.73 47.57 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.477 1.111 . . . . 54.439999999999998 110.981 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.688 HD13 ' CG ' ' A' ' 78' ' ' GLU . 0.5 OUTLIER -48.62 -59.38 3.57 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.47 1.106 . . . . 71.540000000000006 109.283 -179.974 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -50.62 -30.87 14.47 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.503 1.127 . . . . 51.530000000000001 109.259 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 11.4 mt-10 -80.91 -26.75 36.54 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.475 1.109 . . . . 72.200000000000003 110.33 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' ASN . . . . . 0.423 ' C ' ' N ' ' A' ' 78' ' ' GLU . 88.9 m-20 -87.9 11.22 16.27 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.489 1.118 . . . . 72.120000000000005 109.259 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 39.8 m-80 40.46 30.1 0.08 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.489 1.118 . . . . 71.439999999999998 109.316 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . 0.688 ' CG ' HD13 ' A' ' 73' ' ' LEU . 9.0 pt-20 -113.47 164.27 13.83 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.453 1.096 . . . . 74.120000000000005 110.28 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 36.4 mtmt -126.62 15.19 7.59 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.481 1.113 . . . . 73.420000000000002 109.292 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 80' ' ' PHE . . . . . 0.527 ' CE1' ' HB2' ' A' ' 78' ' ' GLU . 1.3 p90 -135.65 173.91 11.19 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.514 1.134 . . . . 42.310000000000002 110.973 -179.948 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.738 HD12 ' CE1' ' A' ' 7' ' ' PHE . 1.5 tm? -147.02 150.72 35.67 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.487 1.117 . . . . 72.420000000000002 109.307 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 82' ' ' ASN . . . . . 0.61 ' N ' HD13 ' A' ' 81' ' ' LEU . 0.7 OUTLIER -126.83 148.2 49.98 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.555 1.16 . . . . 71.420000000000002 109.281 -179.957 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . 0.565 HD11 ' CE2' ' A' ' 7' ' ' PHE . 36.9 mm -122.76 159.01 26.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.52 1.137 . . . . 71.120000000000005 109.326 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 43.5 ttt-85 -127.01 116.84 21.36 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.435 1.085 . . . . 74.519999999999996 110.325 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.475 HD12 ' CG2' ' A' ' 9' ' ' ILE . 11.8 mt -110.8 133.85 53.0 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 73.019999999999996 109.309 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 9.1 t80 . . . . . 0 C--N 1.324 -0.513 0 O-C-N 124.535 1.147 . . . . 73.099999999999994 110.983 -179.997 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.453 -0.297 0 N-CA-C 109.992 -0.373 . . . . 71.340000000000003 109.992 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . 0.427 HD12 ' HG2' ' A' ' 22' ' ' LYS . 23.8 mt -123.01 145.75 29.4 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.503 1.127 . . . . 64.140000000000001 109.257 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.831 HD22 ' H ' ' A' ' 7' ' ' PHE . 0.9 OUTLIER -102.95 147.2 27.23 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.524 1.14 . . . . 73.420000000000002 109.292 -179.99 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . 0.831 ' H ' HD22 ' A' ' 6' ' ' LEU . 1.6 m-85 -123.76 112.62 17.54 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.45 1.094 . . . . 34.420000000000002 111.002 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . 0.456 ' HG2' ' CG2' ' A' ' 15' ' ' ILE . 41.9 ttp180 -92.72 85.18 5.15 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.531 1.144 . . . . 74.099999999999994 110.289 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.603 ' H ' HD12 ' A' ' 9' ' ' ILE . 4.3 mp -65.28 161.86 2.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.508 1.13 . . . . 74.439999999999998 109.286 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . 0.447 ' O ' ' N ' ' A' ' 85' ' ' LEU . 1.6 p . . . . . 0 C--N 1.325 -0.497 0 O-C-N 124.527 1.142 . . . . 75.230000000000004 109.99 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.456 ' CG2' ' HG2' ' A' ' 8' ' ' ARG . 1.0 OUTLIER . . . . . 0 N--CA 1.453 -0.314 0 N-CA-C 109.296 -0.631 . . . . 75.430000000000007 109.296 . . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 31.9 m-85 -115.59 176.68 4.97 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.454 1.096 . . . . 61.240000000000002 110.97 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.672 ' HB ' HD21 ' A' ' 6' ' ' LEU . 7.8 p -131.87 146.78 52.32 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.479 1.112 . . . . 74.120000000000005 110.361 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.692 HD23 ' CE ' ' A' ' 36' ' ' LYS . 1.5 tm? -147.08 122.18 10.13 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.506 1.129 . . . . 63.100000000000001 109.314 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.527 HD13 ' N ' ' A' ' 20' ' ' VAL . 0.3 OUTLIER -75.6 120.91 21.65 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.518 1.136 . . . . 75.049999999999997 109.277 -179.977 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.544 HG23 ' CE3' ' A' ' 24' ' ' TRP . 15.0 p -127.0 117.54 47.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.525 1.141 . . . . 64.140000000000001 109.296 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 0.555 ' OE2' ' CZ2' ' A' ' 24' ' ' TRP . 1.4 mp0 -56.58 167.87 0.66 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.476 1.11 . . . . 70.239999999999995 110.277 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . 0.427 ' HG2' HD12 ' A' ' 5' ' ' ILE . 17.5 mttt -89.85 15.67 9.45 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.514 1.134 . . . . 73.129999999999995 109.296 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.527 HG12 ' HB3' ' A' ' 21' ' ' GLU . 0.2 OUTLIER -113.71 -35.68 2.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.533 1.146 . . . . 72.209999999999994 109.306 179.982 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' TRP . . . . . 0.555 ' CZ2' ' OE2' ' A' ' 21' ' ' GLU . 15.6 m0 -54.51 93.06 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 107.98 -1.119 . . . . 73.439999999999998 107.98 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . 0.439 ' N ' ' O ' ' A' ' 23' ' ' VAL . 26.3 p-10 -51.4 176.9 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.468 1.105 . . . . 74.219999999999999 109.293 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . 0.403 ' CG ' ' N ' ' A' ' 27' ' ' ASP . 29.9 p90 -50.02 -35.38 24.55 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.464 1.103 . . . . 73.010000000000005 110.999 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . 0.403 ' N ' ' CG ' ' A' ' 26' ' ' PHE . 0.9 OUTLIER -62.91 -71.99 0.15 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.566 1.166 . . . . 75.409999999999997 109.257 -179.984 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -51.68 -22.68 3.63 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.515 1.134 . . . . 64.200000000000003 109.255 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.781 HD21 HD21 ' A' ' 60' ' ' LEU . 1.0 OUTLIER -69.68 -58.42 3.94 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.459 1.1 . . . . 63.310000000000002 109.297 -179.991 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . 0.425 HD13 ' HA ' ' A' ' 30' ' ' ILE . 13.5 mm -56.92 -21.16 13.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.462 1.101 . . . . 75.430000000000007 109.312 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 16.0 mtp -90.48 -22.44 21.37 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.494 1.121 . . . . 35.240000000000002 111.011 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . 0.512 ' HB1' HD11 ' A' ' 18' ' ' LEU . . . -69.24 -39.76 78.3 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.454 1.096 . . . . 63.140000000000001 109.265 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.661 HD11 ' CD2' ' A' ' 7' ' ' PHE . 2.5 mp -82.95 -43.96 18.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.46 1.1 . . . . 74.400000000000006 109.276 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 1.5 m-80 -60.17 -16.01 29.05 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.53 1.144 . . . . 62.009999999999998 109.334 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 9.6 t -79.62 -36.66 37.61 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.465 1.103 . . . . 52.340000000000003 109.991 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . 0.692 ' CE ' HD23 ' A' ' 18' ' ' LEU . 1.1 mptp? -75.64 -48.81 20.58 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.471 1.107 . . . . 64.239999999999995 109.31 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . 0.639 ' CD1' HD11 ' A' ' 45' ' ' ILE . 0.7 OUTLIER -74.52 -4.22 5.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.534 1.147 . . . . 74.439999999999998 109.282 -179.945 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 28.9 t . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.502 1.126 . . . . 54.549999999999997 110.036 179.933 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo . . . . . 0 N--CA 1.453 -0.889 0 N-CA-C 110.981 -0.43 . . . . 54.109999999999999 110.981 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . 0.65 HG12 HD22 ' A' ' 85' ' ' LEU . 1.4 pp -121.04 99.73 7.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.488 1.117 . . . . 72.409999999999997 109.307 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 13.6 p -63.38 -22.95 67.19 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.522 1.139 . . . . 75.340000000000003 110.375 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 18.2 ptmt -118.57 144.37 46.14 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.545 1.153 . . . . 71.140000000000001 109.256 -179.946 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 1.082 HG22 HD21 ' A' ' 85' ' ' LEU . 2.5 pp -135.54 154.49 35.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.511 1.132 . . . . 74.329999999999998 109.254 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 22.9 ttmt -114.28 129.63 56.64 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.448 1.093 . . . . 65.430000000000007 109.294 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' TYR . . . . . 0.745 ' HB2' HD11 ' A' ' 81' ' ' LEU . 8.9 p90 -118.84 148.85 42.43 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.536 1.147 . . . . 75.5 111.042 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . 0.419 ' CG ' ' HA2' ' A' ' 55' ' ' GLY . 38.8 tt0 -77.45 148.78 35.23 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.516 1.135 . . . . 73.310000000000002 110.267 -179.944 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . 0.447 ' OD1' ' N ' ' A' ' 54' ' ' ASP . 7.3 p30 -117.23 -174.13 2.54 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.493 1.121 . . . . 65.329999999999998 109.304 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -62.58 -31.33 72.13 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.526 1.141 . . . . 62.140000000000001 110.291 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . 0.447 ' N ' ' OD1' ' A' ' 52' ' ' ASP . 0.8 OUTLIER -84.75 7.38 20.82 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.457 1.098 . . . . 61.240000000000002 109.33 -179.994 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . 0.419 ' HA2' ' CG ' ' A' ' 51' ' ' GLN . . . 57.05 16.41 18.48 Favored Glycine 0 CA--C 1.531 1.074 0 O-C-N 124.501 1.126 . . . . 73.540000000000006 110.965 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -94.53 102.39 14.32 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.519 0.776 . . . . 73.209999999999994 109.333 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 3.6 p90 -44.53 117.19 1.21 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.505 1.128 . . . . 73.310000000000002 111.019 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.653 HG23 ' CE1' ' A' ' 50' ' ' TYR . 0.1 OUTLIER -118.8 136.67 55.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.459 1.1 . . . . 73.299999999999997 109.318 180.0 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 8.9 p -61.32 157.42 3.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.481 1.113 . . . . 64.420000000000002 109.318 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.781 HD21 HD21 ' A' ' 29' ' ' LEU . 5.2 tp -144.93 111.97 5.95 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.495 1.122 . . . . 75.129999999999995 109.311 179.933 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -155.44 23.26 0.57 Allowed Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.505 1.128 . . . . 23.120000000000001 110.996 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 2.3 p -152.31 174.73 13.45 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.543 0.79 . . . . 63.439999999999998 109.998 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -78.44 -29.83 47.19 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.508 1.13 . . . . 61.420000000000002 109.302 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . 0.488 ' O ' ' CG2' ' A' ' 68' ' ' VAL . 6.8 tt0 -71.48 -13.88 61.95 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.467 1.105 . . . . 74.540000000000006 110.316 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . 0.443 ' O ' ' HB2' ' A' ' 69' ' ' ALA . 0.6 OUTLIER -111.96 -15.55 13.29 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.496 1.123 . . . . 75.129999999999995 109.31 -179.997 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' TRP . . . . . 0.571 ' CZ2' ' NZ ' ' A' ' 70' ' ' LYS . 0.1 OUTLIER -94.3 -23.68 17.74 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.544 1.152 . . . . 74.5 108.009 -179.975 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 7.8 t30 -95.02 -50.24 5.18 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.49 1.119 . . . . 64.239999999999995 109.315 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . 0.488 ' CG2' ' O ' ' A' ' 64' ' ' GLU . 87.2 t -61.15 -15.78 13.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.474 1.108 . . . . 73.340000000000003 109.283 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . 0.513 ' O ' HD23 ' A' ' 73' ' ' LEU . . . -84.88 -38.69 19.13 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.482 1.114 . . . . 73.120000000000005 109.284 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . 0.571 ' NZ ' ' CZ2' ' A' ' 66' ' ' TRP . 52.1 mttt -65.87 -55.45 16.94 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.543 1.152 . . . . 63.439999999999998 109.333 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 8.7 pt-20 -44.48 -26.29 0.34 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.472 1.108 . . . . 73.219999999999999 110.255 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' MET . . . . . 0.449 ' O ' ' ND2' ' A' ' 76' ' ' ASN . 0.7 OUTLIER -79.92 -39.87 29.4 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.49 1.119 . . . . 74.099999999999994 110.99 -179.989 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.873 HD13 ' CG ' ' A' ' 78' ' ' GLU . 0.4 OUTLIER -50.92 -62.95 1.3 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.539 1.149 . . . . 65.019999999999996 109.298 -179.974 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -49.87 -31.62 12.48 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.519 1.137 . . . . 72.219999999999999 109.314 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 7.6 mt-10 -75.36 -30.51 60.22 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.549 1.156 . . . . 75.230000000000004 110.26 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' ASN . . . . . 0.729 ' N ' HD22 ' A' ' 76' ' ' ASN . 0.8 OUTLIER -88.12 11.9 15.02 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.572 1.17 . . . . 51.399999999999999 109.328 -179.978 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 3.6 m-80 40.42 36.11 0.33 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.517 1.136 . . . . 65.299999999999997 109.329 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . 0.873 ' CG ' HD13 ' A' ' 73' ' ' LEU . 7.8 pt-20 -113.91 144.78 42.48 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.482 1.113 . . . . 72.129999999999995 110.332 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 5.7 mtmp? -111.38 19.74 17.95 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.52 1.138 . . . . 65.400000000000006 109.311 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 3.1 p90 -141.44 158.12 44.28 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.49 1.119 . . . . 75.409999999999997 111.05 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.858 HD13 ' N ' ' A' ' 82' ' ' ASN . 1.5 tm? -133.19 164.11 27.79 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.458 1.099 . . . . 63.130000000000003 109.296 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 82' ' ' ASN . . . . . 0.858 ' N ' HD13 ' A' ' 81' ' ' LEU . 1.1 t30 -132.09 138.2 48.04 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.492 1.12 . . . . 73.040000000000006 109.319 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . 0.565 HG13 ' CD2' ' A' ' 7' ' ' PHE . 25.9 mm -131.09 136.43 57.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.491 1.12 . . . . 74.120000000000005 109.306 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 23.1 ttt180 -111.57 150.06 30.56 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.488 1.118 . . . . 65.439999999999998 110.337 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 1.082 HD21 HG22 ' A' ' 48' ' ' ILE . 96.0 mt -134.17 127.31 31.75 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.543 1.152 . . . . 75.109999999999999 109.276 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 86' ' ' TYR . . . . . 0.506 ' CD1' ' O ' ' A' ' 86' ' ' TYR . 10.9 t80 . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.526 1.141 . . . . 72.510000000000005 111.004 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . 0.734 ' HB2' HD11 ' A' ' 19' ' ' LEU . 0.7 OUTLIER . . . . . 0 N--CA 1.453 -0.314 0 N-CA-C 110.0 -0.37 . . . . 75.349999999999994 110.0 . . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . 0.496 ' CG2' ' N ' ' A' ' 6' ' ' LEU . 7.8 mt -118.78 164.08 15.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.478 1.112 . . . . 72.120000000000005 109.261 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.717 HD22 ' H ' ' A' ' 7' ' ' PHE . 1.9 tm? -123.06 147.05 47.15 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.506 1.129 . . . . 74.120000000000005 109.253 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . 1.145 ' CE2' HG11 ' A' ' 20' ' ' VAL . 15.5 m-85 -136.63 116.27 12.95 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.484 1.115 . . . . 75.209999999999994 110.974 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . 0.453 ' HB2' ' CG2' ' A' ' 15' ' ' ILE . 4.2 ptm180 -86.69 53.41 2.81 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.449 1.093 . . . . 71.099999999999994 110.315 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.834 ' CG2' HD12 ' A' ' 85' ' ' LEU . 5.8 mt -44.11 111.38 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.505 1.128 . . . . 71.129999999999995 109.31 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . 0.707 ' HB2' HD13 ' A' ' 15' ' ' ILE . 0.3 OUTLIER . . . . . 0 C--N 1.324 -0.509 0 O-C-N 124.526 1.141 . . . . 65.310000000000002 109.988 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.707 HD13 ' HB2' ' A' ' 10' ' ' SER . 1.7 mm . . . . . 0 N--CA 1.453 -0.29 0 N-CA-C 109.315 -0.624 . . . . 55.530000000000001 109.315 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . 0.456 ' O ' ' N ' ' A' ' 9' ' ' ILE . 25.1 m-85 -129.94 130.0 44.53 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.489 1.118 . . . . 73.329999999999998 110.981 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.539 ' HB ' HD21 ' A' ' 6' ' ' LEU . 2.2 p -97.05 129.04 44.54 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.488 1.117 . . . . 62.009999999999998 110.399 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.694 HD23 ' C ' ' A' ' 18' ' ' LEU . 4.2 tt -132.01 124.85 30.14 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.464 1.103 . . . . 74.099999999999994 109.348 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.734 HD11 ' HB2' ' A' ' 4' ' ' SER . 0.3 OUTLIER -80.77 113.5 19.01 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.486 1.116 . . . . 64.510000000000005 109.298 -179.963 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 1.145 HG11 ' CE2' ' A' ' 7' ' ' PHE . 14.3 p -106.49 140.21 25.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.504 1.128 . . . . 74.439999999999998 109.307 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 0.567 ' HB2' ' CD1' ' A' ' 24' ' ' TRP . 53.3 mt-10 -81.17 161.46 24.03 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.511 1.132 . . . . 75.109999999999999 110.302 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . 0.44 ' CG ' ' HA ' ' A' ' 4' ' ' SER . 0.6 OUTLIER -89.38 14.93 10.05 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.478 1.111 . . . . 73.019999999999996 109.316 179.995 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.506 HG13 ' CD1' ' A' ' 24' ' ' TRP . 0.2 OUTLIER -115.09 -37.33 2.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 O-C-N 124.46 1.1 . . . . 50.439999999999998 109.322 179.98 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' TRP . . . . . 0.567 ' CD1' ' HB2' ' A' ' 21' ' ' GLU . 9.1 m0 -58.31 105.41 0.28 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.552 1.157 . . . . 74.109999999999999 107.965 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . 0.511 ' HA ' ' CE2' ' A' ' 66' ' ' TRP . 20.1 p-10 -62.89 -178.68 0.22 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.527 1.142 . . . . 72.140000000000001 109.318 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . 0.432 ' CD1' ' N ' ' A' ' 27' ' ' ASP . 36.9 p90 -50.19 -36.15 29.41 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.489 1.118 . . . . 73.230000000000004 111.002 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . 0.432 ' N ' ' CD1' ' A' ' 26' ' ' PHE . 15.1 t70 -66.89 -73.0 0.14 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.483 1.114 . . . . 71.030000000000001 109.298 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . 0.416 ' CB ' ' HB3' ' A' ' 24' ' ' TRP . 43.1 m-20 -42.45 -32.98 0.6 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.52 1.137 . . . . 63.450000000000003 109.306 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.855 HD21 HD11 ' A' ' 48' ' ' ILE . 5.4 tp -57.8 -53.46 58.0 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.477 1.11 . . . . 55.350000000000001 109.316 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . 0.689 HG23 ' HA ' ' A' ' 46' ' ' THR . 17.5 mm -56.95 -51.14 72.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.496 1.122 . . . . 74.129999999999995 109.278 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 50.4 mmm -57.53 -27.07 62.28 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.564 1.165 . . . . 74.319999999999993 111.03 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . 0.562 ' HB3' ' O ' ' A' ' 29' ' ' LEU . . . -64.37 -54.76 27.77 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.506 1.129 . . . . 75.219999999999999 109.286 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.731 HD12 ' O ' ' A' ' 29' ' ' LEU . 5.0 mp -62.77 -43.2 98.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.539 1.149 . . . . 72.450000000000003 109.285 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 1.5 m-80 -62.49 -15.35 49.6 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.527 1.142 . . . . 73.019999999999996 109.302 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 8.5 t -87.23 -45.41 10.66 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.484 1.115 . . . . 61.340000000000003 110.001 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . 0.569 ' HG2' HD12 ' A' ' 18' ' ' LEU . 0.0 OUTLIER -65.46 -46.07 81.24 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.505 1.128 . . . . 72.049999999999997 109.286 -179.977 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . 0.637 HG23 ' O ' ' A' ' 33' ' ' ILE . 1.4 pt -75.79 -15.6 15.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.48 1.113 . . . . 70.099999999999994 109.317 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 20.5 t . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.124 . . . . 54.210000000000001 109.985 -179.996 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . 0.55 ' HA ' HD11 ' A' ' 37' ' ' ILE . 18.5 Cg_endo . . . . . 0 N--CA 1.452 -0.935 0 N-CA-C 111.025 -0.413 . . . . 64.120000000000005 111.025 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . 0.723 HD12 ' O ' ' A' ' 45' ' ' ILE . 1.4 pp -153.33 113.69 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.489 1.118 . . . . 74.040000000000006 109.26 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . 0.689 ' HA ' HG23 ' A' ' 30' ' ' ILE . 38.6 p -91.63 35.04 0.95 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.49 1.119 . . . . 72.409999999999997 110.348 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . 0.436 ' O ' ' CG ' ' A' ' 47' ' ' LYS . 8.6 pttp -157.52 114.38 2.97 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.516 1.135 . . . . 53.340000000000003 109.331 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.855 HD11 HD21 ' A' ' 29' ' ' LEU . 7.5 pt -109.41 128.86 65.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.533 1.145 . . . . 71.340000000000003 109.309 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . 0.425 ' HD3' ' CB ' ' A' ' 57' ' ' PHE . 16.5 ttmm -95.34 103.49 15.36 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.491 1.12 . . . . 73.120000000000005 109.281 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' TYR . . . . . 0.876 ' HB2' HD11 ' A' ' 81' ' ' LEU . 8.7 p90 -95.53 146.98 24.04 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.487 1.117 . . . . 74.129999999999995 111.015 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 62.7 tt0 -73.95 152.2 40.16 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.473 1.108 . . . . 73.120000000000005 110.293 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . 0.44 ' OD2' ' CB ' ' A' ' 54' ' ' ASP . 9.8 p-10 -112.53 -177.55 3.18 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.519 1.137 . . . . 71.5 109.315 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . 0.401 ' N ' ' SD ' ' A' ' 72' ' ' MET . 17.4 pt-20 -64.77 -47.52 77.84 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.516 1.135 . . . . 74.540000000000006 110.251 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . 0.44 ' CB ' ' OD2' ' A' ' 52' ' ' ASP . 4.0 t0 -46.74 -28.64 1.58 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.518 1.136 . . . . 61.420000000000002 109.273 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 101.58 14.02 30.99 Favored Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.475 1.109 . . . . 61.299999999999997 110.992 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 15.2 t0 -104.63 -177.11 3.27 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.499 0.764 . . . . 70.340000000000003 109.331 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . 0.425 ' CB ' ' HD3' ' A' ' 49' ' ' LYS . 20.2 m-85 -108.94 139.39 43.86 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.522 1.139 . . . . 73.319999999999993 111.027 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -138.48 138.31 42.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.529 1.143 . . . . 50.43 109.262 -179.948 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 46.1 t -69.14 142.9 15.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.488 1.118 . . . . 74.030000000000001 109.345 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.815 HD21 ' CD2' ' A' ' 29' ' ' LEU . 0.3 OUTLIER -126.57 104.48 8.14 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.496 1.122 . . . . 74.310000000000002 109.314 -179.978 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . 0.503 ' N ' HD12 ' A' ' 60' ' ' LEU . . . -144.22 21.72 2.08 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.539 1.149 . . . . 63.240000000000002 110.965 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 1.4 m -147.56 175.78 10.59 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.487 0.757 . . . . 74.209999999999994 110.012 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . 0.444 ' O ' ' N ' ' A' ' 67' ' ' ASN . 1.1 p-10 -74.36 -29.56 61.62 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.495 1.122 . . . . 71.0 109.31 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . 0.631 ' O ' HG23 ' A' ' 68' ' ' VAL . 3.0 tt0 -66.88 -37.96 85.4 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.527 1.142 . . . . 73.219999999999999 110.327 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 9.0 m-20 -86.62 -14.29 43.15 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.5 1.125 . . . . 75.540000000000006 109.316 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' TRP . . . . . 0.597 ' CZ3' ' OD1' ' A' ' 67' ' ' ASN . 5.5 t90 -95.57 -19.18 19.99 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.52 1.138 . . . . 72.329999999999998 107.948 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . 0.597 ' OD1' ' CZ3' ' A' ' 66' ' ' TRP . 58.3 m-20 -98.38 -47.88 5.25 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.478 1.111 . . . . 65.420000000000002 109.282 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . 0.631 HG23 ' O ' ' A' ' 64' ' ' GLU . 85.4 t -62.73 -30.52 49.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.483 1.115 . . . . 54.450000000000003 109.312 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . 0.489 ' HB2' ' CE2' ' A' ' 50' ' ' TYR . . . -73.47 -20.31 60.73 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.426 1.079 . . . . 75.409999999999997 109.292 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 5.1 mtmp? -87.95 -56.59 3.27 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.48 1.112 . . . . 72.120000000000005 109.288 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 20.4 pt-20 -49.44 -30.86 8.7 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.553 1.158 . . . . 62.409999999999997 110.326 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' MET . . . . . 0.427 ' O ' ' N ' ' A' ' 75' ' ' GLU . 5.7 ttp -64.94 -46.58 81.0 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.499 1.124 . . . . 75.409999999999997 111.051 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.836 HD21 HD23 ' A' ' 81' ' ' LEU . 4.1 mt -45.89 -45.55 15.32 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.492 1.12 . . . . 52.229999999999997 109.286 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -64.15 -36.83 85.34 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.466 1.104 . . . . 72.150000000000006 109.285 -179.937 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . 0.427 ' N ' ' O ' ' A' ' 72' ' ' MET . 10.1 mm-40 -74.79 -21.65 59.19 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.477 1.11 . . . . 72.230000000000004 110.328 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' ASN . . . . . 0.493 ' CB ' ' OE1' ' A' ' 78' ' ' GLU . 2.0 m-80 -95.86 -14.21 23.37 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.479 1.112 . . . . 52.149999999999999 109.264 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 8.3 m-80 61.39 33.9 18.55 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.53 1.144 . . . . 72.140000000000001 109.266 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . 0.493 ' OE1' ' CB ' ' A' ' 76' ' ' ASN . 9.1 pt-20 -109.82 168.34 9.49 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.528 1.143 . . . . 74.319999999999993 110.321 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 30.2 mmtp -126.4 18.21 7.58 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.487 1.117 . . . . 71.310000000000002 109.299 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 26.4 p90 -141.69 166.91 23.45 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.511 1.132 . . . . 71.040000000000006 110.957 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.876 HD11 ' HB2' ' A' ' 50' ' ' TYR . 2.1 tm? -143.94 150.55 38.51 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 72.25 109.322 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 82' ' ' ASN . . . . . 0.711 ' N ' HD13 ' A' ' 81' ' ' LEU . 1.0 OUTLIER -107.12 148.09 29.24 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.486 1.116 . . . . 61.119999999999997 109.332 179.936 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . 0.711 HD13 ' HA ' ' A' ' 50' ' ' TYR . 38.6 mm -137.65 157.1 33.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.481 1.113 . . . . 73.129999999999995 109.258 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 32.7 ttt-85 -132.74 148.1 52.33 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.491 1.119 . . . . 75.030000000000001 110.28 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.834 HD12 ' CG2' ' A' ' 9' ' ' ILE . 12.9 mt -140.14 122.04 15.54 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.457 1.098 . . . . 64.200000000000003 109.297 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 86' ' ' TYR . . . . . 0.62 ' CE1' HG21 ' A' ' 45' ' ' ILE . 1.6 p90 . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 74.430000000000007 111.008 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.453 -0.299 0 N-CA-C 110.037 -0.357 . . . . 73.439999999999998 110.037 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . 0.412 HG13 ' CE ' ' A' ' 22' ' ' LYS . 18.5 mt -130.3 144.84 36.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.52 1.137 . . . . 70.140000000000001 109.287 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.902 HD13 ' N ' ' A' ' 7' ' ' PHE . 3.2 tm? -100.63 148.6 24.66 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.466 1.104 . . . . 64.150000000000006 109.31 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . 0.902 ' N ' HD13 ' A' ' 6' ' ' LEU . 1.6 m-85 -124.82 115.3 20.46 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.505 1.128 . . . . 54.149999999999999 111.029 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . 0.469 ' HG2' ' CG2' ' A' ' 15' ' ' ILE . 10.3 ttp180 -94.13 81.2 4.07 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.471 1.107 . . . . 65.140000000000001 110.295 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.647 ' H ' HD12 ' A' ' 9' ' ' ILE . 4.6 mp -65.61 166.83 1.34 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.526 1.141 . . . . 74.140000000000001 109.302 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . 0.506 ' N ' HG22 ' A' ' 9' ' ' ILE . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.527 1.142 . . . . 72.030000000000001 110.047 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.469 ' CG2' ' HG2' ' A' ' 8' ' ' ARG . 1.0 OUTLIER . . . . . 0 N--CA 1.454 -0.27 0 N-CA-C 109.269 -0.641 . . . . 54.140000000000001 109.269 . . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 56.5 m-85 -116.21 175.85 5.36 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.466 1.104 . . . . 70.329999999999998 110.97 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 37.0 p -126.54 154.15 44.23 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.514 1.134 . . . . 74.430000000000007 110.419 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.82 HD23 ' HE2' ' A' ' 36' ' ' LYS . 1.3 tm? -156.09 123.97 5.63 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.467 1.104 . . . . 72.409999999999997 109.298 -179.952 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.656 HD13 ' N ' ' A' ' 20' ' ' VAL . 0.2 OUTLIER -78.02 121.51 24.33 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.554 1.159 . . . . 64.430000000000007 109.322 179.944 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.656 ' N ' HD13 ' A' ' 19' ' ' LEU . 13.4 p -125.62 115.2 42.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.453 1.095 . . . . 71.030000000000001 109.316 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 0.529 ' HB3' HG12 ' A' ' 23' ' ' VAL . 29.4 mm-40 -57.24 168.9 0.65 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.521 1.138 . . . . 74.340000000000003 110.28 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . 0.412 ' CE ' HG13 ' A' ' 5' ' ' ILE . 69.9 mttt -89.59 15.15 9.94 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.448 1.092 . . . . 72.340000000000003 109.267 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.529 HG12 ' HB3' ' A' ' 21' ' ' GLU . 0.2 OUTLIER -112.92 -37.19 2.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.521 1.138 . . . . 64.400000000000006 109.307 -179.981 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' TRP . . . . . 0.49 ' CD1' ' HB2' ' A' ' 21' ' ' GLU . 10.8 m0 -55.94 94.49 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 107.992 -1.114 . . . . 65.329999999999998 107.992 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . 0.435 ' OD1' ' N ' ' A' ' 25' ' ' ASN . 3.3 p-10 -53.8 176.05 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.478 1.111 . . . . 74.430000000000007 109.291 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . 0.41 ' CG ' ' N ' ' A' ' 27' ' ' ASP . 12.5 p90 -50.43 -34.13 23.47 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.531 1.144 . . . . 73.329999999999998 110.952 -179.947 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . 0.41 ' N ' ' CG ' ' A' ' 26' ' ' PHE . 33.6 t0 -64.35 -64.83 0.78 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.504 1.127 . . . . 71.109999999999999 109.299 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -55.61 -23.96 30.52 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.512 1.132 . . . . 75.409999999999997 109.253 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.584 HD12 ' CD1' ' A' ' 33' ' ' ILE . 4.4 tp -70.6 -56.27 6.89 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.535 1.147 . . . . 51.119999999999997 109.297 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . 0.693 HD11 HG12 ' A' ' 48' ' ' ILE . 18.9 mm -60.7 -20.17 20.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.491 1.119 . . . . 74.329999999999998 109.352 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 8.2 mmt -92.86 -23.96 18.63 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.511 1.132 . . . . 60.420000000000002 111.004 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -71.8 -48.49 46.05 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.504 1.128 . . . . 64.030000000000001 109.315 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.584 ' CD1' HD12 ' A' ' 29' ' ' LEU . 4.1 mp -73.24 -42.21 58.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.516 1.135 . . . . 62.149999999999999 109.282 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . 0.433 ' ND2' ' O ' ' A' ' 30' ' ' ILE . 0.9 OUTLIER -53.71 -25.86 20.43 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.525 1.141 . . . . 73.239999999999995 109.291 -179.991 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . 0.464 ' O ' ' CB ' ' A' ' 38' ' ' SER . 16.9 t -79.31 -47.03 16.57 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.45 1.094 . . . . 51.310000000000002 110.01 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . 0.82 ' HE2' HD23 ' A' ' 18' ' ' LEU . 7.7 mptt -59.46 -38.52 80.98 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.496 1.122 . . . . 72.310000000000002 109.36 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . 0.476 HG23 ' O ' ' A' ' 33' ' ' ILE . 2.6 pt -80.38 -15.67 12.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.548 1.155 . . . . 73.5 109.287 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . 0.464 ' CB ' ' O ' ' A' ' 35' ' ' SER . 8.7 t . . . . . 0 C--N 1.325 -0.477 0 O-C-N 124.437 1.086 . . . . 61.130000000000003 109.99 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 N--CA 1.453 -0.853 0 N-CA-C 111.029 -0.412 . . . . 75.150000000000006 111.029 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . 0.766 HG12 HD22 ' A' ' 85' ' ' LEU . 1.2 pp -146.03 113.71 1.26 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.468 1.105 . . . . 71.120000000000005 109.282 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . 0.418 ' O ' HD12 ' A' ' 30' ' ' ILE . 3.0 p -75.96 -34.19 59.82 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.126 . . . . 71.030000000000001 110.35 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -95.83 120.82 36.76 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.474 1.109 . . . . 64.540000000000006 109.318 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.693 HG12 HD11 ' A' ' 30' ' ' ILE . 17.7 pt -116.47 151.71 18.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.546 1.154 . . . . 64.019999999999996 109.317 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 2.8 ttmp? -114.83 111.81 21.79 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.504 1.128 . . . . 54.32 109.289 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' TYR . . . . . 0.622 ' HA ' HD13 ' A' ' 83' ' ' ILE . 12.9 p90 -107.58 152.54 24.12 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.483 1.114 . . . . 73.540000000000006 110.959 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 34.5 tt0 -75.27 145.46 41.87 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.541 1.151 . . . . 65.519999999999996 110.297 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 27.8 p30 -108.41 -179.32 3.84 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.488 1.117 . . . . 74.040000000000006 109.334 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . 0.452 ' CA ' ' HG3' ' A' ' 72' ' ' MET . 1.8 pp20? -61.42 -35.36 77.33 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.127 . . . . 74.329999999999998 110.304 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 14.5 t0 -64.22 -15.92 60.96 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.502 1.126 . . . . 72.540000000000006 109.345 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 86.8 9.51 74.4 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.548 1.155 . . . . 65.349999999999994 111.017 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 9.7 m-20 -95.49 175.72 6.45 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.514 0.773 . . . . 64.329999999999998 109.277 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . 0.559 ' N ' ' CD1' ' A' ' 57' ' ' PHE . 0.6 OUTLIER -101.07 122.57 43.79 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.505 1.128 . . . . 72.409999999999997 111.046 179.971 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.527 HG23 ' CE1' ' A' ' 50' ' ' TYR . 2.0 m -125.43 153.62 33.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.542 1.152 . . . . 73.430000000000007 109.296 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 11.3 p -75.7 158.66 5.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.472 1.107 . . . . 43.420000000000002 109.315 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.712 HD12 ' N ' ' A' ' 61' ' ' GLY . 0.3 OUTLIER -150.05 114.67 5.26 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.555 1.159 . . . . 72.439999999999998 109.318 179.99 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . 0.712 ' N ' HD12 ' A' ' 60' ' ' LEU . . . -152.73 22.66 0.81 Allowed Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.458 1.099 . . . . 74.030000000000001 111.023 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 10.5 p -150.39 174.06 13.31 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.462 0.743 . . . . 55.25 109.969 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -74.34 -30.03 61.85 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.527 1.142 . . . . 74.299999999999997 109.316 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . 0.497 ' O ' ' CG2' ' A' ' 68' ' ' VAL . 34.4 mt-10 -69.02 -16.53 63.74 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.496 1.122 . . . . 74.5 110.304 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 21.9 m-20 -108.33 -17.59 13.96 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.121 . . . . 52.119999999999997 109.346 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' TRP . . . . . 0.536 ' CZ2' ' HE3' ' A' ' 70' ' ' LYS . 0.1 OUTLIER -90.62 -23.7 20.74 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.508 1.13 . . . . 75.209999999999994 108.031 179.956 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 7.8 t30 -93.71 -46.17 7.36 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.519 1.137 . . . . 64.5 109.304 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . 0.497 ' CG2' ' O ' ' A' ' 64' ' ' GLU . 52.9 t -61.9 -27.14 41.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.496 1.122 . . . . 73.109999999999999 109.31 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . 0.426 ' HB2' ' CE2' ' A' ' 50' ' ' TYR . . . -72.11 -39.84 68.61 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.483 1.114 . . . . 73.450000000000003 109.283 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . 0.536 ' HE3' ' CZ2' ' A' ' 66' ' ' TRP . 37.0 mttm -63.19 -38.26 90.48 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.539 1.149 . . . . 73.299999999999997 109.275 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 72.8 mm-40 -56.74 -28.08 60.48 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.476 1.11 . . . . 73.239999999999995 110.329 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' MET . . . . . 0.452 ' HG3' ' CA ' ' A' ' 53' ' ' GLU . 1.0 OUTLIER -69.25 -42.15 75.99 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.514 1.134 . . . . 63.030000000000001 110.987 -179.964 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.693 HD13 ' HG3' ' A' ' 78' ' ' GLU . 0.4 OUTLIER -59.54 -49.38 78.01 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.495 1.122 . . . . 64.019999999999996 109.283 179.994 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -62.16 -15.45 46.18 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.496 1.123 . . . . 73.420000000000002 109.328 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 24.9 mm-40 -98.0 -26.48 14.62 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.496 1.122 . . . . 71.409999999999997 110.332 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' ASN . . . . . 0.442 ' C ' ' N ' ' A' ' 78' ' ' GLU . 2.2 m-80 -94.44 13.74 22.88 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.49 1.119 . . . . 74.019999999999996 109.306 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 3.2 m-80 40.47 30.01 0.07 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.503 1.127 . . . . 62.539999999999999 109.297 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . 0.693 ' HG3' HD13 ' A' ' 73' ' ' LEU . 15.4 pt-20 -118.69 165.31 14.14 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.466 1.104 . . . . 64.329999999999998 110.303 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . 0.408 ' NZ ' ' HB3' ' A' ' 79' ' ' LYS . 1.8 mtmp? -125.44 15.35 8.26 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.52 1.138 . . . . 61.439999999999998 109.292 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 80' ' ' PHE . . . . . 0.654 ' O ' HD11 ' A' ' 73' ' ' LEU . 6.1 p90 -120.14 152.53 37.5 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.521 1.138 . . . . 73.540000000000006 111.013 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.771 HD23 ' H ' ' A' ' 82' ' ' ASN . 0.6 OUTLIER -135.41 169.28 17.73 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.486 1.116 . . . . 62.219999999999999 109.317 -179.996 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 82' ' ' ASN . . . . . 0.771 ' H ' HD23 ' A' ' 81' ' ' LEU . 1.1 p-10 -140.44 137.22 33.77 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.455 1.097 . . . . 74.310000000000002 109.294 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . 0.622 HD13 ' HA ' ' A' ' 50' ' ' TYR . 8.1 mm -129.03 143.59 40.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.468 1.105 . . . . 75.549999999999997 109.337 179.943 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 38.7 ttm-85 -118.49 145.02 45.61 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.557 1.16 . . . . 62.340000000000003 110.325 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.766 HD22 HG12 ' A' ' 45' ' ' ILE . 37.1 mt -130.42 131.06 45.06 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.531 1.144 . . . . 73.129999999999995 109.276 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 2.5 t80 . . . . . 0 C--N 1.325 -0.493 0 O-C-N 124.509 1.13 . . . . 62.32 111.04 179.983 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . 0.454 ' HB2' HD11 ' A' ' 19' ' ' LEU . 0.4 OUTLIER . . . . . 0 N--CA 1.453 -0.277 0 N-CA-C 109.919 -0.4 . . . . 65.140000000000001 109.919 . . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 18.1 mt -135.27 143.94 35.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.469 1.106 . . . . 74.420000000000002 109.318 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 5.1 tp -94.8 142.24 27.7 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.552 1.157 . . . . 74.109999999999999 109.327 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . 0.584 ' CE1' HG11 ' A' ' 20' ' ' VAL . 2.3 m-30 -118.49 92.43 3.81 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.566 1.166 . . . . 44.310000000000002 111.01 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 4.0 mtt180 -59.14 109.8 0.93 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.52 1.138 . . . . 64.239999999999995 110.322 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.773 HG23 HD22 ' A' ' 85' ' ' LEU . 19.9 mm -86.28 96.95 5.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.454 1.096 . . . . 65.329999999999998 109.278 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 38.0 m . . . . . 0 C--N 1.325 -0.493 0 O-C-N 124.541 1.151 . . . . 75.230000000000004 110.041 179.973 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.412 ' HA ' ' O ' ' A' ' 9' ' ' ILE . 5.4 mm . . . . . 0 N--CA 1.453 -0.283 0 N-CA-C 109.264 -0.643 . . . . 61.109999999999999 109.264 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . 0.506 ' CB ' ' HB ' ' A' ' 9' ' ' ILE . 0.1 OUTLIER -141.21 -169.16 2.79 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.495 1.122 . . . . 74.25 110.982 179.956 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 2.0 p -149.8 126.47 11.0 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.468 1.105 . . . . 60.119999999999997 110.387 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.683 HD23 ' C ' ' A' ' 18' ' ' LEU . 4.5 tt -134.23 124.19 25.54 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.514 1.134 . . . . 72.230000000000004 109.303 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.52 HD13 ' N ' ' A' ' 20' ' ' VAL . 0.1 OUTLIER -87.04 120.26 28.12 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.524 1.14 . . . . 72.209999999999994 109.314 179.969 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.584 HG11 ' CE1' ' A' ' 7' ' ' PHE . 9.7 p -125.13 118.21 52.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.548 1.155 . . . . 60.520000000000003 109.25 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 0.545 ' HB2' ' CD1' ' A' ' 24' ' ' TRP . 15.3 mm-40 -65.71 168.66 7.38 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.458 1.099 . . . . 74.120000000000005 110.324 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 27.6 mttt -87.5 11.53 14.58 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.469 1.106 . . . . 74.299999999999997 109.345 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.527 HG12 ' HB3' ' A' ' 21' ' ' GLU . 0.2 OUTLIER -111.46 -30.74 2.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.495 1.122 . . . . 64.019999999999996 109.295 179.978 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' TRP . . . . . 0.545 ' CD1' ' HB2' ' A' ' 21' ' ' GLU . 23.4 m0 -57.41 111.84 1.22 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.538 1.149 . . . . 63.119999999999997 107.996 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 10.8 p-10 -72.08 -179.3 2.73 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.467 1.104 . . . . 75.120000000000005 109.255 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . 0.415 ' CG ' ' N ' ' A' ' 27' ' ' ASP . 51.7 p90 -51.89 -39.17 58.6 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.506 1.129 . . . . 71.420000000000002 111.009 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . 0.415 ' N ' ' CG ' ' A' ' 26' ' ' PHE . 2.0 t70 -60.6 -63.12 1.41 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.428 1.08 . . . . 74.349999999999994 109.316 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 14.5 m-20 -54.55 -29.83 52.13 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.529 1.143 . . . . 73.329999999999998 109.292 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.696 ' CD2' HD21 ' A' ' 60' ' ' LEU . 0.9 OUTLIER -61.86 -61.51 2.44 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.483 1.114 . . . . 71.530000000000001 109.344 -179.996 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . 0.455 ' HA ' HD13 ' A' ' 30' ' ' ILE . 24.3 mm -51.46 -48.19 34.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.476 1.11 . . . . 63.0 109.319 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 12.7 mmm -62.7 -19.3 63.75 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.477 1.111 . . . . 63.450000000000003 110.998 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . 0.655 ' HB3' ' O ' ' A' ' 29' ' ' LEU . . . -69.49 -64.15 0.93 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.509 1.131 . . . . 55.200000000000003 109.311 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.763 HG23 HD21 ' A' ' 85' ' ' LEU . 4.1 mp -59.15 -36.94 65.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.463 1.102 . . . . 73.099999999999994 109.287 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 1.3 m-80 -62.63 -14.81 47.49 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.517 1.135 . . . . 62.210000000000001 109.326 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 5.5 t -81.57 -39.24 24.88 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.526 1.141 . . . . 74.450000000000003 109.978 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -74.18 -40.94 62.2 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.503 1.127 . . . . 74.430000000000007 109.273 -179.941 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . 0.473 HD12 HG13 ' A' ' 45' ' ' ILE . 0.3 OUTLIER -86.66 -1.56 7.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.496 1.122 . . . . 74.329999999999998 109.287 -179.978 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 32.4 t . . . . . 0 C--N 1.325 -0.477 0 O-C-N 124.457 1.098 . . . . 73.099999999999994 109.978 -180.0 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 N--CA 1.453 -0.907 0 N-CA-C 110.986 -0.428 . . . . 72.230000000000004 110.986 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . 0.7 HD12 ' O ' ' A' ' 45' ' ' ILE . 1.4 pp -118.95 126.19 75.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.441 1.088 . . . . 63.130000000000003 109.3 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 9.8 p -89.86 -12.8 37.97 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.491 1.12 . . . . 50.240000000000002 110.4 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 1.4 ptmm? -139.85 122.55 16.38 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.496 1.122 . . . . 70.439999999999998 109.307 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.52 HD11 HD21 ' A' ' 29' ' ' LEU . 4.2 pt -95.81 155.08 3.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.492 1.12 . . . . 74.409999999999997 109.298 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 22.3 mttp -111.91 102.89 11.11 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.569 1.168 . . . . 74.230000000000004 109.323 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' TYR . . . . . 0.777 ' HB2' HD21 ' A' ' 81' ' ' LEU . 9.0 p90 -102.04 147.51 26.49 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.518 1.136 . . . . 75.549999999999997 110.966 -179.936 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . 0.452 ' O ' ' CD2' ' A' ' 50' ' ' TYR . 58.1 tt0 -70.66 159.07 35.11 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.467 1.104 . . . . 64.120000000000005 110.263 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 16.5 p30 -123.12 -174.85 3.04 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.502 1.126 . . . . 65.549999999999997 109.3 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . 0.458 ' HB3' ' CG ' ' A' ' 72' ' ' MET . 7.7 pt-20 -68.06 -32.92 73.59 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.47 1.106 . . . . 74.530000000000001 110.283 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 28.0 t0 -63.95 -16.47 61.6 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.492 1.12 . . . . 74.329999999999998 109.327 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 88.57 6.77 72.95 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.491 1.119 . . . . 71.010000000000005 111.009 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -97.95 179.15 4.88 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.5 0.765 . . . . 73.140000000000001 109.251 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . 0.53 ' CD1' ' O ' ' A' ' 57' ' ' PHE . 25.2 p90 -103.21 131.22 50.41 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.559 1.162 . . . . 73.120000000000005 111.021 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.507 HG23 ' CE1' ' A' ' 50' ' ' TYR . 0.7 OUTLIER -129.72 150.61 34.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.488 1.117 . . . . 75.25 109.294 -179.965 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 0.4 HG12 ' H ' ' A' ' 59' ' ' VAL . 3.3 p -78.33 156.85 5.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.504 1.128 . . . . 64.420000000000002 109.312 179.944 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.696 HD21 ' CD2' ' A' ' 29' ' ' LEU . 0.4 OUTLIER -148.28 115.0 6.02 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.486 1.116 . . . . 60.340000000000003 109.279 -179.997 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . 0.696 ' N ' HD12 ' A' ' 60' ' ' LEU . . . -154.13 26.92 0.71 Allowed Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.486 1.116 . . . . 55.32 110.996 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 3.3 m -156.76 157.99 36.06 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.547 0.793 . . . . 70.420000000000002 110.0 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 6.1 t70 -63.09 -18.23 63.17 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.562 1.164 . . . . 64.120000000000005 109.284 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . 0.474 ' O ' ' CG2' ' A' ' 68' ' ' VAL . 4.5 tt0 -79.33 -17.32 54.78 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.473 1.108 . . . . 74.420000000000002 110.279 -179.952 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . 0.407 ' O ' ' HB2' ' A' ' 69' ' ' ALA . 3.1 m-20 -107.88 -15.94 14.42 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.487 1.117 . . . . 74.239999999999995 109.306 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' TRP . . . . . 0.606 ' HZ2' ' HZ1' ' A' ' 70' ' ' LYS . 0.3 OUTLIER -92.37 -24.17 18.98 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.517 1.136 . . . . 71.519999999999996 107.987 179.972 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 7.7 t30 -93.26 -50.95 5.23 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.508 1.13 . . . . 64.329999999999998 109.276 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . 0.474 ' CG2' ' O ' ' A' ' 64' ' ' GLU . 72.4 t -59.07 -26.93 34.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.495 1.122 . . . . 30.32 109.283 -179.95 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . 0.414 ' O ' HD23 ' A' ' 73' ' ' LEU . . . -76.78 -48.87 17.32 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.485 1.115 . . . . 53.140000000000001 109.32 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . 0.606 ' HZ1' ' HZ2' ' A' ' 66' ' ' TRP . 17.6 mtmt -55.76 -44.77 77.94 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.455 1.097 . . . . 73.349999999999994 109.304 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 56.4 mm-40 -58.82 -15.89 14.54 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.499 1.124 . . . . 54.420000000000002 110.32 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' MET . . . . . 0.458 ' CG ' ' HB3' ' A' ' 53' ' ' GLU . 5.8 tpt -86.14 -22.29 27.12 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.555 1.16 . . . . 63.520000000000003 111.031 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.709 HD13 ' CG ' ' A' ' 78' ' ' GLU . 0.6 OUTLIER -63.0 -60.94 2.77 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.452 1.095 . . . . 65.420000000000002 109.298 179.994 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -53.22 -27.71 23.34 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.52 1.138 . . . . 63.439999999999998 109.296 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . 0.42 ' HB2' ' CE ' ' A' ' 72' ' ' MET . 5.6 mm-40 -85.46 -25.21 27.06 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.518 1.136 . . . . 72.329999999999998 110.303 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' ASN . . . . . 0.437 ' N ' ' O ' ' A' ' 72' ' ' MET . 29.3 m-20 -85.77 -12.34 51.26 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.551 1.157 . . . . 71.349999999999994 109.294 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 68.5 m-80 61.04 34.6 19.18 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.573 1.17 . . . . 73.299999999999997 109.305 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . 0.709 ' CG ' HD13 ' A' ' 73' ' ' LEU . 14.1 pt-20 -116.87 165.25 13.54 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.535 1.147 . . . . 74.230000000000004 110.333 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 36.8 mtmt -121.12 16.63 11.58 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.489 1.118 . . . . 73.120000000000005 109.3 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 80' ' ' PHE . . . . . 0.566 ' O ' HD11 ' A' ' 73' ' ' LEU . 25.4 p90 -144.5 -174.89 4.44 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.493 1.121 . . . . 74.409999999999997 110.993 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.854 HD23 ' N ' ' A' ' 82' ' ' ASN . 5.6 tt -143.98 166.58 24.57 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.512 1.133 . . . . 74.5 109.27 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 82' ' ' ASN . . . . . 0.854 ' N ' HD23 ' A' ' 81' ' ' LEU . 1.0 OUTLIER -123.13 113.62 19.23 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.489 1.118 . . . . 72.420000000000002 109.29 -179.996 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . 0.593 HD11 HD22 ' A' ' 81' ' ' LEU . 42.5 mm -103.03 158.6 4.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.488 1.117 . . . . 74.200000000000003 109.331 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 84' ' ' ARG . . . . . 0.694 ' O ' HD12 ' A' ' 85' ' ' LEU . 11.4 tpp85 -133.26 127.2 33.15 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.5 1.125 . . . . 74.030000000000001 110.317 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.773 HD22 HG23 ' A' ' 9' ' ' ILE . 6.7 mp -123.36 110.65 15.42 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.514 1.134 . . . . 73.019999999999996 109.302 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 3.9 m-30 . . . . . 0 C--N 1.324 -0.511 0 O-C-N 124.514 1.134 . . . . 74.310000000000002 111.028 -179.96 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . 0.525 ' HB2' HD11 ' A' ' 19' ' ' LEU . 0.7 OUTLIER . . . . . 0 N--CA 1.453 -0.287 0 N-CA-C 109.995 -0.372 . . . . 64.409999999999997 109.995 . . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . 0.669 ' CD1' HD12 ' A' ' 73' ' ' LEU . 20.7 mt -138.36 150.07 24.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.54 1.15 . . . . 74.319999999999993 109.25 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.664 HD21 ' HB ' ' A' ' 17' ' ' THR . 3.4 tp -103.29 140.46 37.37 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.502 1.126 . . . . 73.040000000000006 109.288 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . 0.591 ' CG ' HG11 ' A' ' 20' ' ' VAL . 2.4 m-30 -118.41 124.07 46.79 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.489 1.118 . . . . 75.319999999999993 110.991 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 42.2 mtp180 -94.5 91.72 6.76 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.481 1.113 . . . . 74.409999999999997 110.301 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.452 ' N ' ' O ' ' A' ' 16' ' ' PHE . 5.2 mp -76.99 104.09 4.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.509 1.131 . . . . 63.210000000000001 109.35 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 19.3 t . . . . . 0 C--N 1.324 -0.506 0 O-C-N 124.525 1.141 . . . . 74.329999999999998 109.978 -179.968 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 1.2 mt . . . . . 0 N--CA 1.453 -0.299 0 N-CA-C 109.335 -0.617 . . . . 72.310000000000002 109.335 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . 0.452 ' O ' ' N ' ' A' ' 9' ' ' ILE . 58.6 m-85 -120.88 148.92 43.38 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.518 1.136 . . . . 74.409999999999997 111.017 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.664 ' HB ' HD21 ' A' ' 6' ' ' LEU . 35.4 p -96.24 153.08 18.0 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.498 1.124 . . . . 73.549999999999997 110.392 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.578 HD23 ' HE2' ' A' ' 36' ' ' LYS . 2.9 tm? -152.01 106.75 3.23 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.524 1.14 . . . . 64.25 109.268 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.525 HD11 ' HB2' ' A' ' 4' ' ' SER . 0.4 OUTLIER -67.64 97.98 0.66 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.512 1.133 . . . . 54.25 109.33 179.947 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.591 HG11 ' CG ' ' A' ' 7' ' ' PHE . 2.6 p -102.62 109.34 26.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.45 1.094 . . . . 65.230000000000004 109.318 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 0.586 ' HB3' HG12 ' A' ' 23' ' ' VAL . 9.9 mm-40 -54.55 167.83 0.31 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.541 1.151 . . . . 54.240000000000002 110.273 -179.95 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . 0.446 ' HE2' ' CD1' ' A' ' 5' ' ' ILE . 78.6 mttt -88.79 12.49 14.9 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.475 1.109 . . . . 55.219999999999999 109.313 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.586 HG12 ' HB3' ' A' ' 21' ' ' GLU . 0.4 OUTLIER -110.34 -26.2 3.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.509 1.131 . . . . 74.310000000000002 109.334 179.994 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' TRP . . . . . 0.524 ' CE3' HG23 ' A' ' 20' ' ' VAL . 28.2 m0 -60.78 91.84 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 107.952 -1.129 . . . . 74.219999999999999 107.952 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . 0.414 ' OD1' ' N ' ' A' ' 25' ' ' ASN . 5.4 p-10 -51.9 178.84 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.497 1.123 . . . . 71.409999999999997 109.31 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . 0.592 ' CZ ' ' O ' ' A' ' 61' ' ' GLY . 0.7 OUTLIER -52.52 -34.68 50.89 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.529 1.143 . . . . 75.109999999999999 111.023 -179.998 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 11.3 t0 -69.64 -64.19 0.93 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.498 1.124 . . . . 71.230000000000004 109.336 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 60.7 m-20 -49.12 -31.72 8.62 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.503 1.127 . . . . 74.25 109.336 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.74 HD21 HD21 ' A' ' 60' ' ' LEU . 2.1 tp -62.72 -60.76 3.05 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.536 1.148 . . . . 74.310000000000002 109.29 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . 0.444 ' HA ' HD13 ' A' ' 30' ' ' ILE . 25.3 mm -54.87 -32.24 26.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.495 1.122 . . . . 75.150000000000006 109.314 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 19.4 mmm -79.54 -22.31 44.03 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.439 1.087 . . . . 73.439999999999998 110.961 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . 0.496 ' HB1' HD11 ' A' ' 18' ' ' LEU . . . -68.24 -55.44 12.19 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.449 1.093 . . . . 41.130000000000003 109.253 -179.95 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.46 ' N ' HD12 ' A' ' 33' ' ' ILE . 3.8 mp -67.05 -43.18 89.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.473 1.108 . . . . 72.150000000000006 109.287 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 1.4 m-80 -57.09 -18.57 15.09 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.498 1.124 . . . . 75.120000000000005 109.325 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 5.0 t -80.24 -43.04 22.1 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.481 1.113 . . . . 72.120000000000005 109.966 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . 0.578 ' HE2' HD23 ' A' ' 18' ' ' LEU . 5.8 mptt -69.52 -44.91 70.06 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.515 1.135 . . . . 71.25 109.278 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . 0.511 HD12 HG13 ' A' ' 45' ' ' ILE . 0.6 OUTLIER -78.05 -0.57 3.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.522 1.139 . . . . 70.310000000000002 109.337 179.981 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 19.9 t . . . . . 0 C--N 1.325 -0.466 0 O-C-N 124.486 1.116 . . . . 74.129999999999995 109.951 -179.992 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 N--CA 1.452 -0.912 0 N-CA-C 111.04 -0.408 . . . . 75.239999999999995 111.04 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . 0.651 HD12 ' O ' ' A' ' 45' ' ' ILE . 1.3 pp -135.21 136.58 51.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.495 1.122 . . . . 61.229999999999997 109.262 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 57.0 p -104.86 -20.27 13.63 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.45 1.094 . . . . 74.340000000000003 110.357 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 8.1 mtmm -112.85 124.73 53.27 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.472 1.107 . . . . 72.040000000000006 109.31 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.667 HG22 HD21 ' A' ' 85' ' ' LEU . 15.0 pt -123.32 130.59 74.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.484 1.115 . . . . 74.200000000000003 109.295 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 16.5 ttmt -97.17 103.72 15.68 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.491 1.12 . . . . 72.450000000000003 109.332 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' TYR . . . . . 0.771 ' HB2' HD21 ' A' ' 81' ' ' LEU . 9.4 p90 -97.39 147.71 23.92 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.492 1.12 . . . . 70.25 110.988 -179.954 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 40.7 tt0 -76.2 158.48 31.62 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.443 1.09 . . . . 71.120000000000005 110.249 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 8.0 t0 -122.71 -174.04 2.83 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.473 1.108 . . . . 65.109999999999999 109.284 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . 0.484 ' CB ' ' OD1' ' A' ' 76' ' ' ASN . 1.8 pp20? -69.87 -37.95 76.24 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.506 1.129 . . . . 75.349999999999994 110.294 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 33.3 t70 -58.64 -17.8 25.24 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.475 1.11 . . . . 74.310000000000002 109.297 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 89.59 5.07 72.35 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.491 1.119 . . . . 72.329999999999998 110.997 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 4.4 t70 -101.31 148.03 25.62 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.511 0.771 . . . . 75.219999999999999 109.315 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . 0.433 ' CD1' ' O ' ' A' ' 57' ' ' PHE . 10.2 p90 -76.22 144.73 40.23 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.499 1.124 . . . . 75.549999999999997 110.995 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.453 HG23 ' O ' ' A' ' 50' ' ' TYR . 0.1 OUTLIER -141.36 146.94 22.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.471 1.107 . . . . 65.510000000000005 109.342 179.957 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 9.2 p -72.87 154.32 7.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.53 1.144 . . . . 73.040000000000006 109.28 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.74 HD21 HD21 ' A' ' 29' ' ' LEU . 2.5 tp -143.25 118.48 10.17 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.499 1.125 . . . . 51.539999999999999 109.326 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . 0.592 ' O ' ' CZ ' ' A' ' 26' ' ' PHE . . . -158.05 27.59 0.45 Allowed Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.535 1.147 . . . . 71.25 110.992 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -159.63 152.28 21.43 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.558 0.799 . . . . 74.040000000000006 110.027 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 22.5 t70 -66.26 -21.97 66.3 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.488 1.118 . . . . 71.420000000000002 109.326 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . 0.483 ' OE1' HG23 ' A' ' 68' ' ' VAL . 3.2 tp10 -74.75 -14.83 60.76 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.545 1.153 . . . . 64.120000000000005 110.34 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 9.4 t0 -109.72 -17.22 13.74 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.508 1.13 . . . . 65.319999999999993 109.294 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' TRP . . . . . 0.596 ' CE3' ' O ' ' A' ' 66' ' ' TRP . 3.5 t-105 -92.53 -23.7 19.0 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.541 1.15 . . . . 75.510000000000005 107.996 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 7.7 t30 -93.91 -35.29 12.74 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.49 1.119 . . . . 72.310000000000002 109.268 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . 0.483 HG23 ' OE1' ' A' ' 64' ' ' GLU . 29.2 t -72.89 -20.91 19.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.512 1.133 . . . . 73.409999999999997 109.29 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . 0.433 ' O ' ' CB ' ' A' ' 72' ' ' MET . . . -83.3 -47.43 11.51 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.47 1.107 . . . . 61.32 109.291 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . 0.558 ' HG3' ' CZ3' ' A' ' 66' ' ' TRP . 37.1 mtmt -48.9 -56.46 8.75 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.504 1.127 . . . . 73.019999999999996 109.332 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 11.1 mt-10 -45.51 -26.78 0.63 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.487 1.117 . . . . 62.509999999999998 110.303 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' MET . . . . . 0.433 ' CB ' ' O ' ' A' ' 69' ' ' ALA . 17.0 tpp -72.16 -39.43 68.71 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.465 1.103 . . . . 63.299999999999997 111.018 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.669 HD12 ' CD1' ' A' ' 5' ' ' ILE . 6.8 mt -45.47 -50.67 12.49 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.557 1.161 . . . . 71.219999999999999 109.304 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -54.75 -39.99 68.88 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.518 1.136 . . . . 51.25 109.282 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 65.9 mt-10 -77.17 -18.91 57.45 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.527 1.142 . . . . 75.109999999999999 110.299 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' ASN . . . . . 0.497 ' CB ' ' OE1' ' A' ' 78' ' ' GLU . 63.0 m-20 -91.61 -13.33 32.11 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.475 1.109 . . . . 73.329999999999998 109.261 -179.949 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' ASN . . . . . 0.425 ' N ' HD22 ' A' ' 77' ' ' ASN . 1.9 m-80 60.51 32.67 20.54 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.526 1.141 . . . . 75.150000000000006 109.275 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . 0.497 ' OE1' ' CB ' ' A' ' 76' ' ' ASN . 10.2 pt-20 -114.42 162.75 16.26 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.498 1.124 . . . . 71.510000000000005 110.316 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -121.78 24.55 9.64 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.497 1.123 . . . . 72.230000000000004 109.344 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 11.4 p90 -153.5 -177.33 6.28 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.482 1.114 . . . . 62.020000000000003 111.003 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.868 HD23 ' N ' ' A' ' 82' ' ' ASN . 10.1 tt -142.02 167.87 21.1 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.492 1.12 . . . . 73.239999999999995 109.279 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 82' ' ' ASN . . . . . 0.868 ' N ' HD23 ' A' ' 81' ' ' LEU . 0.9 OUTLIER -123.24 112.89 18.2 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.537 1.148 . . . . 72.439999999999998 109.304 179.978 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . 0.461 HG13 ' CD2' ' A' ' 7' ' ' PHE . 14.5 mm -99.77 158.35 3.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.462 1.101 . . . . 60.25 109.293 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 3.2 tpp85 -141.72 148.04 38.39 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.471 1.107 . . . . 70.140000000000001 110.336 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.667 HD21 HG22 ' A' ' 48' ' ' ILE . 33.2 mt -136.85 125.35 23.56 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.49 1.119 . . . . 71.439999999999998 109.282 -179.942 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 3.3 m-85 . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.558 1.161 . . . . 70.409999999999997 111.001 179.99 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . 0.559 ' CB ' HD11 ' A' ' 19' ' ' LEU . 1.0 OUTLIER . . . . . 0 N--CA 1.453 -0.323 0 N-CA-C 109.977 -0.379 . . . . 72.439999999999998 109.977 . . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . 0.469 ' CD1' ' HE2' ' A' ' 22' ' ' LYS . 16.1 mt -121.55 147.35 25.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.5 1.125 . . . . 74.299999999999997 109.294 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 3.8 tp -90.52 139.99 30.17 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.488 1.118 . . . . 65.109999999999999 109.284 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . 0.566 ' CE2' HD13 ' A' ' 29' ' ' LEU . 1.8 m-85 -129.39 111.02 12.39 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.533 1.146 . . . . 74.519999999999996 110.964 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . 0.965 ' CD ' HG22 ' A' ' 17' ' ' THR . 46.3 mmm-85 -88.19 119.09 28.25 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.512 1.133 . . . . 74.310000000000002 110.316 179.944 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.605 ' CG2' HD22 ' A' ' 85' ' ' LEU . 4.3 mp -95.93 80.64 1.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.45 1.094 . . . . 71.450000000000003 109.298 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . 0.948 ' OG ' HG23 ' A' ' 15' ' ' ILE . 19.9 m . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.495 1.122 . . . . 73.019999999999996 109.971 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.948 HG23 ' OG ' ' A' ' 10' ' ' SER . 1.7 mp . . . . . 0 N--CA 1.452 -0.331 0 N-CA-C 109.339 -0.615 . . . . 63.409999999999997 109.339 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . 0.423 ' O ' ' HA ' ' A' ' 8' ' ' ARG . 7.8 t80 -128.68 177.71 6.85 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.482 1.114 . . . . 73.400000000000006 110.993 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.965 HG22 ' CD ' ' A' ' 8' ' ' ARG . 19.7 p -131.63 146.16 52.06 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.45 1.094 . . . . 64.430000000000007 110.375 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.549 HD23 ' C ' ' A' ' 18' ' ' LEU . 7.1 tt -150.26 124.58 9.52 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.539 1.149 . . . . 64.340000000000003 109.295 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.559 HD11 ' CB ' ' A' ' 4' ' ' SER . 0.2 OUTLIER -82.94 114.74 21.43 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.502 1.126 . . . . 73.040000000000006 109.313 -179.976 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.81 HG23 ' HE3' ' A' ' 24' ' ' TRP . 8.3 p -122.03 122.58 67.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.513 1.133 . . . . 62.340000000000003 109.32 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 0.565 ' HB2' ' CD1' ' A' ' 24' ' ' TRP . 23.5 mt-10 -63.41 168.99 4.03 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.463 1.102 . . . . 75.450000000000003 110.269 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . 0.469 ' HE2' ' CD1' ' A' ' 5' ' ' ILE . 1.0 OUTLIER -87.94 10.2 19.64 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.503 1.127 . . . . 61.409999999999997 109.288 -179.998 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.435 HG12 ' HB3' ' A' ' 21' ' ' GLU . 0.2 OUTLIER -111.19 -18.49 7.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.501 1.125 . . . . 63.210000000000001 109.307 179.984 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' TRP . . . . . 0.81 ' HE3' HG23 ' A' ' 20' ' ' VAL . 22.5 m0 -72.34 86.63 1.12 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.502 1.127 . . . . 62.030000000000001 108.016 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . 0.518 ' HA ' ' CE2' ' A' ' 66' ' ' TRP . 8.3 p-10 -52.71 175.89 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.522 1.139 . . . . 73.329999999999998 109.295 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 8.3 p90 -47.35 -30.75 3.41 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.453 1.096 . . . . 70.420000000000002 111.026 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 19.2 t70 -65.49 -69.29 0.3 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.516 1.135 . . . . 62.420000000000002 109.348 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . 0.45 ' O ' ' N ' ' A' ' 32' ' ' ALA . 24.5 m-20 -51.22 -30.28 16.88 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.508 1.13 . . . . 73.319999999999993 109.299 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.593 HD21 HD11 ' A' ' 48' ' ' ILE . 1.5 tp -61.19 -57.55 11.99 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.494 1.121 . . . . 74.329999999999998 109.283 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . 0.432 HD13 ' HA ' ' A' ' 30' ' ' ILE . 17.8 mm -57.81 -29.69 35.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.467 1.105 . . . . 62.030000000000001 109.29 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 7.1 mmt -82.89 -21.98 34.1 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.505 1.128 . . . . 70.099999999999994 111.013 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . 0.536 ' O ' HD11 ' A' ' 18' ' ' LEU . . . -68.99 -49.99 52.9 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.51 1.131 . . . . 42.509999999999998 109.343 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.653 ' O ' HG23 ' A' ' 37' ' ' ILE . 3.1 mp -70.23 -40.43 78.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.475 1.109 . . . . 71.510000000000005 109.308 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . 0.514 HD21 HD12 ' A' ' 45' ' ' ILE . 1.6 m-80 -64.56 -15.45 61.03 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.478 1.111 . . . . 74.109999999999999 109.305 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 1.5 t -85.52 -45.87 11.38 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.534 1.147 . . . . 75.200000000000003 109.994 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . 0.438 ' HG2' HD12 ' A' ' 18' ' ' LEU . 0.3 OUTLIER -67.17 -51.53 52.61 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.513 1.133 . . . . 71.340000000000003 109.334 179.969 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . 0.653 HG23 ' O ' ' A' ' 33' ' ' ILE . 1.8 pt -63.19 -16.01 16.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.482 1.114 . . . . 64.510000000000005 109.269 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 2.3 t . . . . . 0 C--N 1.324 -0.508 0 O-C-N 124.536 1.147 . . . . 62.340000000000003 109.976 -179.983 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 N--CA 1.453 -0.858 0 N-CA-C 111.04 -0.408 . . . . 73.439999999999998 111.04 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . 0.514 HD12 HD21 ' A' ' 34' ' ' ASN . 1.1 pp -129.93 165.03 31.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 74.439999999999998 109.307 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 73.9 p -130.83 5.96 4.64 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.49 1.119 . . . . 71.430000000000007 110.444 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 31.0 mtpt -136.38 141.11 43.66 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.54 1.15 . . . . 74.540000000000006 109.256 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.998 HG22 HD11 ' A' ' 85' ' ' LEU . 19.0 pt -138.67 126.55 28.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.511 1.132 . . . . 72.430000000000007 109.271 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 1.3 ttmp? -98.94 106.72 19.01 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.482 1.114 . . . . 74.5 109.264 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' TYR . . . . . 0.482 ' O ' HG23 ' A' ' 58' ' ' VAL . 8.2 p90 -99.46 149.74 22.9 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.542 1.151 . . . . 70.409999999999997 111.011 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . 0.456 ' O ' ' CD2' ' A' ' 50' ' ' TYR . 33.6 tt0 -62.74 144.49 56.36 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.544 1.153 . . . . 64.230000000000004 110.282 -179.933 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . 0.451 ' HB2' HG22 ' A' ' 58' ' ' VAL . 12.5 t0 -105.15 177.13 4.94 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.478 1.111 . . . . 72.219999999999999 109.274 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 2.2 pm0 -63.21 -27.12 69.14 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.424 1.078 . . . . 71.430000000000007 110.29 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 4.0 t70 -89.34 14.73 10.46 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.532 1.145 . . . . 54.32 109.316 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 59.98 18.64 48.23 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.448 1.093 . . . . 70.540000000000006 111.011 -179.934 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -102.02 129.04 48.22 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.504 0.767 . . . . 74.420000000000002 109.293 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . 0.455 ' CD1' ' O ' ' A' ' 57' ' ' PHE . 12.7 p90 -57.61 120.45 8.36 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.522 1.139 . . . . 65.340000000000003 110.976 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.482 HG23 ' O ' ' A' ' 50' ' ' TYR . 0.2 OUTLIER -122.19 145.82 28.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.536 1.148 . . . . 73.239999999999995 109.3 179.957 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 11.5 t -72.74 154.71 7.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.537 1.148 . . . . 63.210000000000001 109.28 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.88 HD12 ' N ' ' A' ' 61' ' ' GLY . 0.3 OUTLIER -150.47 120.51 7.19 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.471 1.107 . . . . 71.140000000000001 109.309 179.993 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . 0.88 ' N ' HD12 ' A' ' 60' ' ' LEU . . . -159.75 26.72 0.34 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.522 1.139 . . . . 64.519999999999996 110.998 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 5.3 m -151.24 171.15 17.87 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.453 0.737 . . . . 64.5 110.001 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 8.8 t70 -70.84 -25.67 62.93 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.497 1.123 . . . . 75.409999999999997 109.329 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . 0.629 ' O ' HG23 ' A' ' 68' ' ' VAL . 16.4 pt-20 -70.72 -36.72 73.35 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.505 1.128 . . . . 70.040000000000006 110.321 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . 0.565 ' O ' ' HB2' ' A' ' 69' ' ' ALA . 4.1 m-20 -86.81 -9.53 55.6 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.456 1.098 . . . . 74.010000000000005 109.323 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' TRP . . . . . 0.576 ' CZ3' ' OD1' ' A' ' 67' ' ' ASN . 8.9 t90 -96.84 -22.58 16.83 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.499 1.125 . . . . 75.430000000000007 108.008 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . 0.576 ' OD1' ' CZ3' ' A' ' 66' ' ' TRP . 26.3 m-20 -98.32 -44.22 6.63 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.46 1.1 . . . . 73.409999999999997 109.308 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . 0.629 HG23 ' O ' ' A' ' 64' ' ' GLU . 51.8 t -72.45 -6.07 7.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.499 1.124 . . . . 53.520000000000003 109.328 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . 0.565 ' HB2' ' O ' ' A' ' 65' ' ' ASP . . . -96.41 -24.71 16.01 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.491 1.12 . . . . 52.240000000000002 109.241 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . 0.562 ' HE3' ' CZ2' ' A' ' 66' ' ' TRP . 32.4 mttm -75.32 -36.21 61.11 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.496 1.123 . . . . 73.230000000000004 109.305 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -56.33 -31.66 63.94 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.506 1.129 . . . . 54.049999999999997 110.3 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' MET . . . . . 0.448 ' O ' ' N ' ' A' ' 76' ' ' ASN . 2.5 ttt -64.77 -46.98 79.85 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.555 1.159 . . . . 73.340000000000003 110.981 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 6.3 mt -49.29 -45.13 44.75 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.534 1.146 . . . . 65.329999999999998 109.256 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -65.71 -34.29 77.85 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.456 1.097 . . . . 72.019999999999996 109.316 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 -78.63 -18.82 53.91 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.527 1.142 . . . . 73.099999999999994 110.307 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' ASN . . . . . 0.513 ' N ' HD22 ' A' ' 76' ' ' ASN . 1.4 m-80 -102.48 15.22 29.86 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.563 1.165 . . . . 65.120000000000005 109.319 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 49.7 m-80 40.96 29.61 0.08 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.503 1.127 . . . . 60.439999999999998 109.285 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . 0.589 ' OE1' ' CE2' ' A' ' 80' ' ' PHE . 13.5 pt-20 -117.79 161.48 19.65 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.529 1.143 . . . . 73.010000000000005 110.313 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 7.8 mtmp? -124.14 25.35 7.87 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.461 1.101 . . . . 72.129999999999995 109.313 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 80' ' ' PHE . . . . . 0.589 ' CE2' ' OE1' ' A' ' 78' ' ' GLU . 8.2 p90 -133.17 166.72 21.8 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.531 1.144 . . . . 73.430000000000007 110.98 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.847 HD23 ' N ' ' A' ' 82' ' ' ASN . 8.4 tt -134.02 172.26 13.07 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.535 1.147 . . . . 74.340000000000003 109.276 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 82' ' ' ASN . . . . . 0.847 ' N ' HD23 ' A' ' 81' ' ' LEU . 0.9 OUTLIER -144.49 111.39 5.8 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.511 1.132 . . . . 64.209999999999994 109.305 179.978 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . 0.52 HG23 ' HB ' ' A' ' 48' ' ' ILE . 31.5 mm -93.46 157.54 2.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.48 1.112 . . . . 53.43 109.239 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 7.4 tpp180 -140.06 110.02 6.46 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.561 1.163 . . . . 71.510000000000005 110.309 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.998 HD11 HG22 ' A' ' 48' ' ' ILE . 4.2 mp -89.66 137.37 32.39 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.541 1.15 . . . . 64.219999999999999 109.316 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 86' ' ' TYR . . . . . 0.403 ' C ' ' O ' ' A' ' 85' ' ' LEU . 29.0 m-85 . . . . . 0 C--N 1.325 -0.495 0 O-C-N 124.441 1.088 . . . . 73.530000000000001 110.966 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . 0.427 ' HB2' HD11 ' A' ' 19' ' ' LEU . 2.5 m . . . . . 0 N--CA 1.454 -0.264 0 N-CA-C 109.992 -0.373 . . . . 62.109999999999999 109.992 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . 0.444 ' CD1' ' HE2' ' A' ' 22' ' ' LYS . 17.2 mt -125.61 149.53 30.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.525 1.14 . . . . 70.040000000000006 109.319 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 7.9 tt -104.3 148.89 25.86 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.436 1.085 . . . . 70.030000000000001 109.341 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . 1.098 ' CE2' HD11 ' A' ' 29' ' ' LEU . 2.0 m-30 -119.62 95.59 4.84 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.537 1.148 . . . . 72.109999999999999 110.997 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . 0.402 ' HA ' ' O ' ' A' ' 16' ' ' PHE . 62.4 ttp85 -75.72 64.97 1.81 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.487 1.117 . . . . 63.409999999999997 110.296 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.582 HG23 HD23 ' A' ' 85' ' ' LEU . 2.7 mt -48.36 163.87 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.513 1.133 . . . . 64.439999999999998 109.32 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . 0.544 ' HB2' HD12 ' A' ' 15' ' ' ILE . 5.6 t . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.497 1.123 . . . . 52.450000000000003 109.963 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.544 HD12 ' HB2' ' A' ' 10' ' ' SER . 11.6 mm . . . . . 0 N--CA 1.454 -0.269 0 N-CA-C 109.288 -0.634 . . . . 64.120000000000005 109.288 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . 0.402 ' O ' ' HA ' ' A' ' 8' ' ' ARG . 97.2 m-85 -126.27 165.92 18.07 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.507 1.13 . . . . 71.540000000000006 110.982 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 4.1 p -134.2 133.73 41.26 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.462 1.102 . . . . 71.310000000000002 110.376 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.716 HD23 ' HE3' ' A' ' 36' ' ' LYS . 2.1 tm? -133.89 113.86 12.68 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.512 1.133 . . . . 71.310000000000002 109.314 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.486 ' C ' ' CD1' ' A' ' 19' ' ' LEU . 0.2 OUTLIER -75.17 101.83 4.74 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.532 1.145 . . . . 74.109999999999999 109.26 -179.989 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.507 HG23 ' CE3' ' A' ' 24' ' ' TRP . 4.6 p -101.0 153.64 4.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.542 1.151 . . . . 61.25 109.281 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 0.558 ' HB2' ' CD1' ' A' ' 24' ' ' TRP . 18.0 mm-40 -90.75 167.79 12.23 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.483 1.114 . . . . 72.450000000000003 110.314 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . 0.444 ' HE2' ' CD1' ' A' ' 5' ' ' ILE . 0.2 OUTLIER -89.69 15.67 9.2 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.471 1.107 . . . . 72.400000000000006 109.284 -179.977 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.504 HG13 ' CD1' ' A' ' 24' ' ' TRP . 0.2 OUTLIER -116.1 -38.78 2.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.53 1.144 . . . . 62.329999999999998 109.351 179.966 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' TRP . . . . . 0.558 ' CD1' ' HB2' ' A' ' 21' ' ' GLU . 7.7 m0 -56.32 96.77 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.559 1.162 . . . . 74.299999999999997 108.009 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . 0.498 ' HA ' ' CE2' ' A' ' 66' ' ' TRP . 17.3 p-10 -55.89 174.29 0.12 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.442 1.089 . . . . 60.0 109.299 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 31.8 p90 -53.46 -24.36 12.69 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.531 1.145 . . . . 74.239999999999995 111.019 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -72.57 -70.27 0.36 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.439 1.087 . . . . 52.350000000000001 109.304 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 33.8 m-20 -57.34 -20.8 31.2 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.484 1.115 . . . . 72.439999999999998 109.304 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 1.098 HD11 ' CE2' ' A' ' 7' ' ' PHE . 4.5 tp -71.18 -59.51 2.73 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.496 1.123 . . . . 72.549999999999997 109.269 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 17.7 mm -49.15 -44.21 16.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.551 1.157 . . . . 73.439999999999998 109.305 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 5.3 mmt -68.46 -23.76 64.63 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.512 1.133 . . . . 43.340000000000003 110.957 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . 0.546 ' HB3' ' O ' ' A' ' 29' ' ' LEU . . . -65.72 -56.5 11.71 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.479 1.112 . . . . 64.109999999999999 109.332 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.606 ' H ' HD12 ' A' ' 33' ' ' ILE . 5.2 mp -65.21 -45.22 94.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.519 1.137 . . . . 74.25 109.256 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 1.2 m-80 -53.5 -21.69 6.75 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.495 1.122 . . . . 71.319999999999993 109.315 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 8.4 t -75.36 -40.4 58.18 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.52 1.137 . . . . 75.310000000000002 109.966 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . 0.716 ' HE3' HD23 ' A' ' 18' ' ' LEU . 1.1 mptp? -70.06 -47.59 61.33 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.468 1.105 . . . . 73.430000000000007 109.277 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . 0.719 HD13 HD11 ' A' ' 45' ' ' ILE . 0.6 OUTLIER -78.09 -6.08 8.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.449 1.093 . . . . 73.219999999999999 109.321 179.978 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 34.4 t . . . . . 0 C--N 1.324 -0.511 0 O-C-N 124.553 1.158 . . . . 64.530000000000001 109.977 -179.962 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 N--CA 1.453 -0.863 0 N-CA-C 111.037 -0.409 . . . . 72.310000000000002 111.037 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . 0.816 HG21 HD12 ' A' ' 85' ' ' LEU . 1.5 pp -128.68 112.36 25.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.532 1.145 . . . . 20.510000000000002 109.296 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 1.6 t -81.6 -10.71 59.36 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.488 1.117 . . . . 54.310000000000002 110.394 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 11.1 pttt -127.71 134.72 49.57 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.478 1.111 . . . . 73.239999999999995 109.305 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.623 HG22 HD21 ' A' ' 85' ' ' LEU . 12.1 pt -121.08 176.1 4.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.533 1.145 . . . . 63.399999999999999 109.219 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . 0.418 ' HD3' ' CB ' ' A' ' 57' ' ' PHE . 12.9 tttt -134.48 104.82 6.26 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.516 1.135 . . . . 63.340000000000003 109.291 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' TYR . . . . . 0.78 ' HB2' HD21 ' A' ' 81' ' ' LEU . 8.3 p90 -99.53 146.88 25.91 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.494 1.121 . . . . 72.129999999999995 111.013 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 46.5 tt0 -67.9 136.74 54.49 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.479 1.112 . . . . 71.329999999999998 110.268 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . 0.416 ' HB2' ' CG2' ' A' ' 58' ' ' VAL . 11.0 t0 -97.81 -172.12 2.31 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.484 1.115 . . . . 63.130000000000003 109.303 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 1.2 pp20? -69.93 -35.85 74.86 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.518 1.137 . . . . 74.450000000000003 110.279 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 23.0 t0 -62.12 -15.39 45.26 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.465 1.103 . . . . 72.329999999999998 109.336 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 91.01 0.04 75.16 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.466 1.104 . . . . 63.409999999999997 111.003 -180.0 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 23.7 t0 -89.98 178.77 6.12 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.457 0.74 . . . . 65.340000000000003 109.3 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . 0.418 ' CB ' ' HD3' ' A' ' 49' ' ' LYS . 3.9 m-85 -100.69 125.2 47.1 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.499 1.124 . . . . 74.120000000000005 111.01 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.445 HG23 ' O ' ' A' ' 50' ' ' TYR . 0.2 OUTLIER -122.8 145.08 30.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.489 1.118 . . . . 62.020000000000003 109.338 179.981 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 2.8 p -74.21 141.27 16.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.477 1.111 . . . . 72.200000000000003 109.269 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.508 ' HB2' ' CD1' ' A' ' 50' ' ' TYR . 0.6 OUTLIER -130.68 109.72 10.84 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.56 1.162 . . . . 71.340000000000003 109.289 -179.999 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . 0.442 ' N ' HD12 ' A' ' 60' ' ' LEU . . . -148.37 23.02 1.38 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.468 1.105 . . . . 64.219999999999999 111.039 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 1.4 p -149.03 173.66 13.14 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.479 0.752 . . . . 72.120000000000005 109.965 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . 0.442 ' O ' ' N ' ' A' ' 67' ' ' ASN . 0.6 OUTLIER -71.43 -28.96 64.34 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.484 1.115 . . . . 64.019999999999996 109.306 179.995 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . 0.58 ' O ' HG23 ' A' ' 68' ' ' VAL . 4.1 tt0 -67.76 -38.73 83.85 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.565 1.166 . . . . 72.129999999999995 110.293 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . 0.515 ' O ' ' HB2' ' A' ' 69' ' ' ALA . 6.6 m-20 -85.83 -15.02 43.25 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.569 1.168 . . . . 75.109999999999999 109.318 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' TRP . . . . . 0.595 ' CZ3' ' OD1' ' A' ' 67' ' ' ASN . 5.9 t90 -93.9 -22.93 18.31 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.557 1.161 . . . . 75.400000000000006 108.016 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . 0.595 ' OD1' ' CZ3' ' A' ' 66' ' ' TRP . 52.6 m-20 -93.99 -50.06 5.49 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.471 1.107 . . . . 62.130000000000003 109.322 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . 0.58 HG23 ' O ' ' A' ' 64' ' ' GLU . 91.0 t -61.62 -22.36 27.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.467 1.105 . . . . 55.210000000000001 109.281 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . 0.563 ' O ' HD23 ' A' ' 73' ' ' LEU . . . -75.09 -29.97 60.78 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.47 1.107 . . . . 75.329999999999998 109.273 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 6.8 mtmp? -72.7 -56.82 4.72 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.49 1.119 . . . . 65.530000000000001 109.324 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -52.54 -20.54 3.04 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.504 1.127 . . . . 74.430000000000007 110.33 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' MET . . . . . 0.546 ' HE3' HD22 ' A' ' 73' ' ' LEU . 13.2 ttp -75.3 -33.27 61.18 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.48 1.112 . . . . 72.310000000000002 110.983 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.852 HD21 HD12 ' A' ' 81' ' ' LEU . 0.3 OUTLIER -55.8 -60.43 3.47 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.524 1.14 . . . . 72.420000000000002 109.296 179.996 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -53.56 -20.93 5.62 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.556 1.16 . . . . 73.230000000000004 109.306 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 43.0 mt-10 -88.21 -26.69 22.25 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.51 1.131 . . . . 65.219999999999999 110.329 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 76' ' ' ASN . . . . . 0.574 ' N ' HD22 ' A' ' 76' ' ' ASN . 1.0 OUTLIER -93.54 7.1 45.94 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.509 1.13 . . . . 62.549999999999997 109.308 -179.981 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 36.5 m-80 40.42 34.18 0.22 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.502 1.126 . . . . 74.140000000000001 109.293 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . 0.763 ' HG3' HD13 ' A' ' 73' ' ' LEU . 9.6 pt-20 -108.86 169.66 8.53 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.47 1.106 . . . . 71.140000000000001 110.346 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 36.2 mmtt -122.81 17.8 10.22 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.505 1.128 . . . . 75.129999999999995 109.316 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 13.6 p90 -155.78 167.14 31.35 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.501 1.126 . . . . 61.32 110.988 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.852 HD12 HD21 ' A' ' 73' ' ' LEU . 3.6 tt -127.76 168.73 14.71 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.487 1.117 . . . . 52.420000000000002 109.318 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 82' ' ' ASN . . . . . 0.772 ' N ' HD23 ' A' ' 81' ' ' LEU . 2.2 t30 -131.73 140.46 49.26 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.511 1.132 . . . . 74.439999999999998 109.295 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . 0.572 HG13 ' CD2' ' A' ' 7' ' ' PHE . 19.6 mm -129.84 145.25 35.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.495 1.122 . . . . 74.510000000000005 109.325 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 84' ' ' ARG . . . . . 0.76 ' O ' HD22 ' A' ' 85' ' ' LEU . 53.1 ttt180 -121.98 154.79 36.74 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.496 1.122 . . . . 75.5 110.29 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.816 HD12 HG21 ' A' ' 45' ' ' ILE . 3.0 mm? -136.78 136.48 38.93 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.47 1.106 . . . . 71.230000000000004 109.318 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 2.0 t80 . . . . . 0 C--N 1.324 -0.503 0 O-C-N 124.469 1.105 . . . . 70.310000000000002 111.007 179.996 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . 0.505 ' CB ' HD11 ' A' ' 19' ' ' LEU . 0.8 OUTLIER . . . . . 0 N--CA 1.452 -0.338 0 N-CA-C 110.022 -0.362 . . . . 73.310000000000002 110.022 . . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . 0.622 HD13 HD12 ' A' ' 73' ' ' LEU . 15.1 mt -139.38 146.25 25.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.497 1.123 . . . . 62.200000000000003 109.246 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.918 HD13 ' N ' ' A' ' 7' ' ' PHE . 3.2 tm? -91.58 147.89 22.68 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.531 1.144 . . . . 72.150000000000006 109.284 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . 0.918 ' N ' HD13 ' A' ' 6' ' ' LEU . 1.6 m-85 -127.3 118.8 24.9 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.529 1.143 . . . . 74.319999999999993 111.012 179.944 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . 0.588 ' HB3' HG23 ' A' ' 15' ' ' ILE . 18.0 mmt180 -88.6 119.44 29.07 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.476 1.11 . . . . 74.239999999999995 110.333 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.432 ' HB ' ' CB ' ' A' ' 16' ' ' PHE . 4.1 mm -100.08 93.31 2.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.533 1.145 . . . . 72.030000000000001 109.268 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . 0.667 ' HB3' HD13 ' A' ' 15' ' ' ILE . 1.6 p . . . . . 0 C--N 1.325 -0.465 0 O-C-N 124.499 1.125 . . . . 44.509999999999998 110.036 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.667 HD13 ' HB3' ' A' ' 10' ' ' SER . 2.2 mm . . . . . 0 N--CA 1.452 -0.338 0 N-CA-C 109.326 -0.62 . . . . 62.530000000000001 109.326 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . 0.432 ' CB ' ' HB ' ' A' ' 9' ' ' ILE . 0.1 OUTLIER -109.7 -174.25 2.45 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.476 1.11 . . . . 71.230000000000004 111.026 -180.0 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.545 HG23 ' NH1' ' A' ' 8' ' ' ARG . 2.2 p -139.7 126.53 20.75 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.499 1.125 . . . . 63.399999999999999 110.377 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.735 HD22 ' N ' ' A' ' 19' ' ' LEU . 0.2 OUTLIER -137.86 114.94 10.85 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.53 1.144 . . . . 70.420000000000002 109.325 179.95 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.735 ' N ' HD22 ' A' ' 18' ' ' LEU . 0.2 OUTLIER -78.41 112.46 15.46 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.536 1.148 . . . . 71.150000000000006 109.273 -179.986 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.664 HG23 ' CE3' ' A' ' 24' ' ' TRP . 10.2 p -119.57 130.2 74.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.512 1.132 . . . . 74.540000000000006 109.272 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 0.568 ' HB2' ' CD1' ' A' ' 24' ' ' TRP . 11.6 mt-10 -69.66 167.31 17.25 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.532 1.145 . . . . 64.140000000000001 110.296 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . 0.415 ' O ' ' NZ ' ' A' ' 70' ' ' LYS . 8.7 mtpt -87.88 12.07 14.06 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.53 1.144 . . . . 72.409999999999997 109.327 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.501 HG12 ' HB3' ' A' ' 21' ' ' GLU . 0.2 OUTLIER -112.24 -32.92 2.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.457 1.098 . . . . 65.129999999999995 109.247 -179.976 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' TRP . . . . . 0.664 ' CE3' HG23 ' A' ' 20' ' ' VAL . 21.5 m0 -55.9 102.73 0.08 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.485 1.116 . . . . 73.140000000000001 108.012 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . 0.517 ' HA ' ' CE2' ' A' ' 66' ' ' TRP . 6.0 p-10 -65.25 179.68 0.71 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.528 1.142 . . . . 72.200000000000003 109.291 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . 0.627 ' CD1' ' N ' ' A' ' 27' ' ' ASP . 18.3 p90 -47.76 -43.95 27.8 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.47 1.106 . . . . 75.540000000000006 110.961 -179.959 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . 0.627 ' N ' ' CD1' ' A' ' 26' ' ' PHE . 26.9 t70 -61.29 -58.89 6.43 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.517 1.135 . . . . 71.349999999999994 109.311 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 19.8 t0 -59.45 -20.62 56.58 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.486 1.116 . . . . 73.540000000000006 109.282 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.715 ' CD2' HD21 ' A' ' 60' ' ' LEU . 1.7 tp -73.01 -59.41 2.72 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.481 1.113 . . . . 73.140000000000001 109.308 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 18.8 mm -49.55 -46.71 20.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.516 1.135 . . . . 74.040000000000006 109.282 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 3.4 mmt -62.5 -25.16 67.87 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.49 1.119 . . . . 64.140000000000001 111.018 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . 0.613 ' HB3' ' O ' ' A' ' 29' ' ' LEU . . . -63.12 -61.5 2.33 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.535 1.147 . . . . 73.230000000000004 109.284 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.595 ' H ' HD12 ' A' ' 33' ' ' ILE . 4.4 mp -59.29 -45.2 93.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.479 1.112 . . . . 72.200000000000003 109.296 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 1.2 m-80 -52.33 -21.76 3.87 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.484 1.115 . . . . 51.439999999999998 109.299 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 5.0 t -77.81 -42.06 35.06 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.489 1.118 . . . . 70.019999999999996 110.009 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . 0.721 ' CE ' HD23 ' A' ' 18' ' ' LEU . 2.2 mptp? -68.63 -36.47 78.67 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.543 1.152 . . . . 72.409999999999997 109.267 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . 0.701 HD13 HD11 ' A' ' 45' ' ' ILE . 0.6 OUTLIER -89.27 -1.54 9.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.492 1.12 . . . . 74.450000000000003 109.282 -179.99 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 38.8 t . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.492 1.12 . . . . 71.040000000000006 109.984 -179.974 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 N--CA 1.453 -0.905 0 N-CA-C 110.99 -0.427 . . . . 74.530000000000001 110.99 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . 0.76 HG12 HD21 ' A' ' 85' ' ' LEU . 1.3 pp -144.83 110.8 1.21 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.525 1.141 . . . . 74.030000000000001 109.263 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 11.0 p -86.21 -14.23 44.54 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.507 1.13 . . . . 71.319999999999993 110.424 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 1.3 mmmm -113.4 122.15 46.49 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.471 1.107 . . . . 71.340000000000003 109.339 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 3.7 pt -125.43 169.09 17.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.519 1.137 . . . . 65.099999999999994 109.276 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . 0.482 ' HD2' HH21 ' A' ' 84' ' ' ARG . 26.9 mttp -128.13 107.42 9.79 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.508 1.13 . . . . 74.200000000000003 109.307 179.945 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' TYR . . . . . 0.706 ' HB2' HD11 ' A' ' 81' ' ' LEU . 10.6 p90 -97.46 148.86 22.78 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.512 1.133 . . . . 72.329999999999998 111.031 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 50.5 tt0 -77.13 147.57 36.5 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.533 1.145 . . . . 73.409999999999997 110.297 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -110.82 -172.84 2.11 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.498 1.124 . . . . 71.109999999999999 109.28 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . 0.485 ' CB ' ' OD1' ' A' ' 76' ' ' ASN . 2.0 pp20? -66.6 -31.73 72.6 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.496 1.122 . . . . 73.219999999999999 110.272 -179.952 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 5.5 t0 -89.18 14.41 10.94 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.534 1.146 . . . . 53.210000000000001 109.332 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 56.52 16.83 17.34 Favored Glycine 0 CA--C 1.531 1.066 0 O-C-N 124.514 1.134 . . . . 75.549999999999997 110.976 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 24.4 m-20 -88.87 105.99 18.1 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.511 0.771 . . . . 64.010000000000005 109.273 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . 0.432 ' CD1' ' O ' ' A' ' 57' ' ' PHE . 17.2 p90 -50.05 119.19 3.41 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.513 1.133 . . . . 63.039999999999999 111.051 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.626 HG23 ' CE1' ' A' ' 50' ' ' TYR . 0.1 OUTLIER -122.75 149.18 26.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.482 1.114 . . . . 64.329999999999998 109.31 -179.963 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 7.2 p -74.77 146.85 9.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.53 1.144 . . . . 72.150000000000006 109.318 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.999 HD12 ' N ' ' A' ' 61' ' ' GLY . 0.3 OUTLIER -136.35 125.21 24.09 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.475 1.11 . . . . 72.319999999999993 109.272 -179.983 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . 0.999 ' N ' HD12 ' A' ' 60' ' ' LEU . . . -165.22 29.17 0.21 Allowed Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.51 1.131 . . . . 55.5 111.025 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 75.6 m -158.4 -179.47 8.12 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.513 0.772 . . . . 75.319999999999993 110.003 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . 0.572 ' OD1' ' CE3' ' A' ' 66' ' ' TRP . 8.1 t70 -77.45 -29.62 52.92 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.471 1.107 . . . . 64.519999999999996 109.292 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . 0.694 ' O ' HG23 ' A' ' 68' ' ' VAL . 8.7 pt-20 -67.33 -38.66 85.25 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.546 1.154 . . . . 64.219999999999999 110.314 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . 0.449 ' O ' ' HB2' ' A' ' 69' ' ' ALA . 10.2 m-20 -84.85 -14.48 47.81 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.512 1.133 . . . . 62.509999999999998 109.309 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' TRP . . . . . 0.594 ' CZ3' ' OD1' ' A' ' 67' ' ' ASN . 5.3 t90 -94.26 -23.44 17.86 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.518 1.136 . . . . 54.43 107.995 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . 0.594 ' OD1' ' CZ3' ' A' ' 66' ' ' TRP . 34.7 m-20 -93.2 -51.7 4.89 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.497 1.123 . . . . 71.329999999999998 109.262 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . 0.694 HG23 ' O ' ' A' ' 64' ' ' GLU . 61.3 t -61.98 -15.09 13.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.131 . . . . 63.409999999999997 109.326 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . 0.449 ' HB2' ' O ' ' A' ' 65' ' ' ASP . . . -89.32 -42.52 11.53 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.485 1.116 . . . . 73.420000000000002 109.271 -179.959 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . 0.415 ' NZ ' ' O ' ' A' ' 22' ' ' LYS . 9.3 mtmt -69.85 -59.44 2.93 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.48 1.113 . . . . 74.409999999999997 109.284 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 37.4 mt-10 -46.54 -25.88 0.77 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.519 1.137 . . . . 53.240000000000002 110.366 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' MET . . . . . 0.447 ' CG ' ' HB3' ' A' ' 53' ' ' GLU . 11.7 tpp -73.79 -41.6 62.15 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.501 1.126 . . . . 63.240000000000002 110.988 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.622 HD12 HD13 ' A' ' 5' ' ' ILE . 5.9 mt -47.27 -45.16 23.7 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.524 1.14 . . . . 51.350000000000001 109.309 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -57.24 -35.12 69.32 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.473 1.108 . . . . 73.120000000000005 109.309 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . 0.429 ' N ' ' O ' ' A' ' 72' ' ' MET . 6.0 mm-40 -81.82 -26.04 34.67 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.484 1.115 . . . . 44.32 110.292 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 76' ' ' ASN . . . . . 0.485 ' OD1' ' CB ' ' A' ' 53' ' ' GLU . 81.6 m-20 -83.55 -11.95 56.75 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.481 1.113 . . . . 72.409999999999997 109.346 179.949 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 2.8 m-80 60.55 34.65 20.27 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.47 1.106 . . . . 72.0 109.291 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . 0.454 ' HB2' ' CD1' ' A' ' 80' ' ' PHE . 8.9 pt-20 -123.46 147.4 47.21 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.496 1.122 . . . . 74.140000000000001 110.293 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 6.0 mmpt? -111.72 35.36 3.7 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.473 1.108 . . . . 73.230000000000004 109.305 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 80' ' ' PHE . . . . . 0.454 ' CD1' ' HB2' ' A' ' 78' ' ' GLU . 9.1 p90 -147.37 176.81 9.72 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.519 1.137 . . . . 73.030000000000001 111.03 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.795 HD13 ' H ' ' A' ' 82' ' ' ASN . 0.5 OUTLIER -142.37 159.62 41.87 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.489 1.118 . . . . 64.140000000000001 109.287 -179.973 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 82' ' ' ASN . . . . . 0.795 ' H ' HD13 ' A' ' 81' ' ' LEU . 1.0 OUTLIER -133.44 109.58 9.4 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.462 1.102 . . . . 74.019999999999996 109.297 179.98 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . 0.556 HD13 ' HA ' ' A' ' 50' ' ' TYR . 27.6 mm -104.71 156.06 6.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.52 1.138 . . . . 73.329999999999998 109.322 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 84' ' ' ARG . . . . . 0.482 HH21 ' HD2' ' A' ' 49' ' ' LYS . 14.2 ttp85 -122.32 150.25 42.64 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.496 1.122 . . . . 75.329999999999998 110.316 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.76 HD21 HG12 ' A' ' 45' ' ' ILE . 7.6 tp -140.52 123.84 16.81 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.529 1.143 . . . . 71.420000000000002 109.264 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 19.6 p90 . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.435 1.084 . . . . 65.439999999999998 111.034 179.942 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.453 -0.281 0 N-CA-C 110.0 -0.37 . . . . 72.129999999999995 110.0 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . 0.68 HD11 ' NZ ' ' A' ' 22' ' ' LYS . 10.6 mt -129.55 148.75 33.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.538 1.149 . . . . 62.420000000000002 109.296 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.871 HD22 ' H ' ' A' ' 7' ' ' PHE . 0.8 OUTLIER -102.18 147.28 26.82 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.48 1.113 . . . . 63.43 109.3 179.967 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . 0.871 ' H ' HD22 ' A' ' 6' ' ' LEU . 2.3 m-85 -127.6 122.83 34.18 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.5 1.125 . . . . 73.200000000000003 111.027 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . 0.871 ' HG2' HG22 ' A' ' 17' ' ' THR . 11.3 mtm180 -103.52 90.05 3.55 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.478 1.111 . . . . 65.099999999999994 110.252 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.664 ' H ' HD12 ' A' ' 9' ' ' ILE . 4.3 mp -66.17 147.96 12.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.505 1.128 . . . . 72.25 109.305 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . 0.847 ' OG ' HG23 ' A' ' 15' ' ' ILE . 11.3 m . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.465 1.103 . . . . 60.439999999999998 110.001 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.847 HG23 ' OG ' ' A' ' 10' ' ' SER . 1.5 mp . . . . . 0 N--CA 1.453 -0.305 0 N-CA-C 109.327 -0.62 . . . . 64.430000000000007 109.327 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . 0.412 ' O ' ' HA ' ' A' ' 8' ' ' ARG . 22.0 m-85 -120.46 178.62 4.6 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.543 1.152 . . . . 71.209999999999994 111.011 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.871 HG22 ' HG2' ' A' ' 8' ' ' ARG . 26.4 p -125.46 153.59 43.29 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.502 1.126 . . . . 61.210000000000001 110.4 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.683 HD23 ' C ' ' A' ' 18' ' ' LEU . 4.5 tt -155.76 127.44 7.36 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.495 1.122 . . . . 55.009999999999998 109.307 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.583 ' N ' HD23 ' A' ' 18' ' ' LEU . 0.2 OUTLIER -86.01 115.93 23.91 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.487 1.117 . . . . 34.32 109.287 179.989 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.605 HG11 ' CD1' ' A' ' 7' ' ' PHE . 2.9 p -116.72 115.58 49.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.491 1.12 . . . . 51.100000000000001 109.285 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 0.506 ' HB3' HG12 ' A' ' 23' ' ' VAL . 10.6 mm-40 -58.72 169.53 0.95 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.488 1.118 . . . . 42.420000000000002 110.307 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . 0.68 ' NZ ' HD11 ' A' ' 5' ' ' ILE . 40.8 mttm -87.58 11.33 15.25 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.498 1.124 . . . . 74.219999999999999 109.287 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.506 HG12 ' HB3' ' A' ' 21' ' ' GLU . 0.2 OUTLIER -112.15 -15.26 10.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.496 1.122 . . . . 74.120000000000005 109.332 179.978 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' TRP . . . . . 0.486 ' CD1' ' HB2' ' A' ' 21' ' ' GLU . 21.3 m0 -75.94 87.21 2.89 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.514 1.134 . . . . 72.319999999999993 108.024 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . 0.413 ' OD1' ' N ' ' A' ' 25' ' ' ASN . 6.9 p-10 -52.3 -179.82 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.505 1.128 . . . . 64.129999999999995 109.356 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . 0.524 ' CD1' ' N ' ' A' ' 27' ' ' ASP . 33.0 p90 -48.07 -39.65 20.8 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.48 1.112 . . . . 72.340000000000003 110.984 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . 0.524 ' N ' ' CD1' ' A' ' 26' ' ' PHE . 15.6 t70 -63.39 -63.68 1.12 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.485 1.116 . . . . 72.219999999999999 109.317 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . 0.467 ' HB2' ' CA ' ' A' ' 24' ' ' TRP . 8.0 m-20 -53.86 -24.37 15.63 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.53 1.144 . . . . 73.329999999999998 109.316 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.531 HD21 HD11 ' A' ' 48' ' ' ILE . 2.2 tp -69.06 -51.32 40.05 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.511 1.132 . . . . 62.130000000000003 109.242 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . 0.401 HD13 ' HA ' ' A' ' 30' ' ' ILE . 28.0 mm -64.67 -40.17 88.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.542 1.151 . . . . 63.520000000000003 109.303 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 11.2 mmt -66.4 -24.86 66.54 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.537 1.148 . . . . 74.430000000000007 110.979 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -69.58 -64.06 0.95 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.453 1.095 . . . . 75.140000000000001 109.266 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.516 ' O ' HG23 ' A' ' 37' ' ' ILE . 3.8 mp -58.51 -34.9 52.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.531 1.145 . . . . 65.109999999999999 109.293 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -60.28 -20.26 58.34 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.524 1.14 . . . . 74.239999999999995 109.291 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 11.7 t -82.49 -47.04 12.65 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.462 1.102 . . . . 61.219999999999999 109.967 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . 0.63 ' HD3' HD12 ' A' ' 18' ' ' LEU . 0.6 OUTLIER -63.54 -36.88 85.24 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.53 1.144 . . . . 71.340000000000003 109.26 -179.947 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . 0.546 HD12 HG13 ' A' ' 45' ' ' ILE . 1.4 pt -84.57 -13.18 11.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.547 1.154 . . . . 72.439999999999998 109.309 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 17.8 t . . . . . 0 C--N 1.325 -0.489 0 O-C-N 124.482 1.114 . . . . 74.299999999999997 109.997 -179.975 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 N--CA 1.454 -0.847 0 N-CA-C 110.992 -0.426 . . . . 75.299999999999997 110.992 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . 0.659 HD12 ' O ' ' A' ' 45' ' ' ILE . 1.4 pp -139.8 134.37 37.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.439 1.087 . . . . 71.299999999999997 109.289 -179.956 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 9.9 t -94.47 -41.98 9.09 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.5 1.125 . . . . 73.140000000000001 110.421 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 3.6 ptpp? -89.12 135.48 33.54 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.503 1.127 . . . . 71.140000000000001 109.287 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.58 HG22 HD11 ' A' ' 85' ' ' LEU . 17.6 pt -133.46 131.72 57.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.488 1.117 . . . . 72.230000000000004 109.324 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 4.8 mmtp -88.98 110.21 20.93 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.44 1.087 . . . . 70.310000000000002 109.276 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' TYR . . . . . 0.726 ' CE1' HG23 ' A' ' 58' ' ' VAL . 6.5 p90 -108.3 143.34 37.31 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.476 1.11 . . . . 52.109999999999999 111.024 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 24.7 tt0 -76.13 148.28 37.95 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.494 1.121 . . . . 72.310000000000002 110.32 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 30.3 p30 -120.12 -173.35 2.54 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.507 1.129 . . . . 74.439999999999998 109.296 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 16.2 pt-20 -58.53 -49.11 78.58 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.474 1.109 . . . . 70.109999999999999 110.285 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 25.1 t0 -49.77 -23.63 1.93 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.469 1.105 . . . . 75.310000000000002 109.349 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 91.46 13.09 58.9 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.457 1.098 . . . . 55.240000000000002 110.977 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 81.1 m-20 -103.24 160.74 14.41 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.51 0.77 . . . . 73.409999999999997 109.261 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 2.5 m-85 -96.29 117.21 30.35 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.502 1.126 . . . . 72.299999999999997 110.996 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.726 HG23 ' CE1' ' A' ' 50' ' ' TYR . 0.4 OUTLIER -117.56 142.88 29.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.509 1.131 . . . . 73.349999999999994 109.324 -179.984 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 26.6 t -57.56 152.14 3.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 O-C-N 124.528 1.142 . . . . 72.530000000000001 109.303 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.645 HD12 ' N ' ' A' ' 61' ' ' GLY . 0.6 OUTLIER -149.23 118.8 6.95 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.502 1.126 . . . . 74.299999999999997 109.309 179.986 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . 0.645 ' N ' HD12 ' A' ' 60' ' ' LEU . . . -156.86 27.99 0.53 Allowed Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.53 1.144 . . . . 62.409999999999997 110.976 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 52.4 m -147.68 168.78 21.19 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.537 0.787 . . . . 65.430000000000007 110.017 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -74.26 -30.03 61.94 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.501 1.126 . . . . 73.430000000000007 109.309 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . 0.481 ' O ' ' CG2' ' A' ' 68' ' ' VAL . 7.1 tt0 -77.02 -16.26 59.35 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.504 1.127 . . . . 74.400000000000006 110.327 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . 0.408 ' C ' HD13 ' A' ' 60' ' ' LEU . 34.6 m-20 -102.27 -18.35 15.5 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.469 1.106 . . . . 52.530000000000001 109.263 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' TRP . . . . . 0.598 ' CE3' ' O ' ' A' ' 66' ' ' TRP . 3.5 t-105 -96.07 -23.79 16.63 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.514 1.134 . . . . 75.129999999999995 107.994 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 6.2 t30 -88.54 -47.7 8.12 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.511 1.132 . . . . 71.230000000000004 109.297 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . 0.481 ' CG2' ' O ' ' A' ' 64' ' ' GLU . 55.6 t -60.94 -28.3 43.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.476 1.11 . . . . 74.510000000000005 109.282 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . 0.61 ' HB2' ' CE2' ' A' ' 50' ' ' TYR . . . -77.62 -32.93 53.77 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.47 1.106 . . . . 72.430000000000007 109.279 -179.946 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . 0.557 ' HD3' ' CH2' ' A' ' 66' ' ' TRP . 3.4 mtmp? -70.9 -57.56 4.47 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.512 1.132 . . . . 74.219999999999999 109.314 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -48.99 -23.15 1.03 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.522 1.139 . . . . 73.450000000000003 110.263 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' MET . . . . . 0.426 ' O ' ' N ' ' A' ' 75' ' ' GLU . 6.0 ttm -76.62 -38.63 54.38 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.547 1.154 . . . . 64.219999999999999 110.991 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.432 HD11 HD12 ' A' ' 81' ' ' LEU . 14.0 mt -47.24 -52.59 15.6 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.542 1.152 . . . . 64.209999999999994 109.314 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -54.2 -29.71 47.1 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.506 1.129 . . . . 53.200000000000003 109.318 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . 0.426 ' N ' ' O ' ' A' ' 72' ' ' MET . 59.3 mt-10 -83.52 -27.98 28.98 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.454 1.096 . . . . 74.519999999999996 110.27 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 76' ' ' ASN . . . . . 0.403 ' CB ' ' CD ' ' A' ' 78' ' ' GLU . 75.3 m-20 -89.1 13.56 12.8 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.526 1.141 . . . . 72.329999999999998 109.295 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 77' ' ' ASN . . . . . 0.403 ' C ' ' O ' ' A' ' 76' ' ' ASN . 39.8 m-80 40.44 32.89 0.15 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.518 1.136 . . . . 75.109999999999999 109.305 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . 0.48 ' HB2' ' CE2' ' A' ' 80' ' ' PHE . 6.2 pt-20 -128.19 121.28 29.06 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.484 1.115 . . . . 72.329999999999998 110.287 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 1.4 tppp? -87.53 5.08 40.97 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.544 1.153 . . . . 72.219999999999999 109.265 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 80' ' ' PHE . . . . . 0.48 ' CE2' ' HB2' ' A' ' 78' ' ' GLU . 10.6 p90 -114.27 155.43 26.18 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.509 1.131 . . . . 73.439999999999998 111.013 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.792 HD23 ' N ' ' A' ' 82' ' ' ASN . 2.7 tt -127.61 165.82 19.24 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.499 1.125 . . . . 71.299999999999997 109.307 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 82' ' ' ASN . . . . . 0.792 ' N ' HD23 ' A' ' 81' ' ' LEU . 1.3 t30 -136.69 136.81 39.37 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.447 1.092 . . . . 75.219999999999999 109.273 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . 0.663 HD13 ' HA ' ' A' ' 50' ' ' TYR . 47.6 mm -133.37 145.22 34.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.529 1.143 . . . . 60.229999999999997 109.311 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 84' ' ' ARG . . . . . 0.484 ' CG ' ' O ' ' A' ' 84' ' ' ARG . 0.6 OUTLIER -139.65 123.66 17.73 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.559 1.162 . . . . 73.530000000000001 110.309 179.978 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.58 HD11 HG22 ' A' ' 48' ' ' ILE . 3.5 mm? -98.78 149.81 22.49 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.511 1.132 . . . . 70.420000000000002 109.341 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 7.8 t80 . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.496 1.122 . . . . 63.329999999999998 111.0 -179.971 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.453 -0.319 0 N-CA-C 110.036 -0.357 . . . . 62.140000000000001 110.036 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . 0.638 HD13 HD12 ' A' ' 73' ' ' LEU . 32.4 mt -138.59 143.19 32.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.487 1.117 . . . . 60.200000000000003 109.292 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.983 HD13 ' N ' ' A' ' 7' ' ' PHE . 2.9 tm? -96.66 148.19 23.12 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 53.439999999999998 109.286 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . 0.983 ' N ' HD13 ' A' ' 6' ' ' LEU . 1.5 m-85 -124.73 120.79 32.8 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.533 1.145 . . . . 61.310000000000002 111.037 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . 0.533 ' HB3' HG23 ' A' ' 15' ' ' ILE . 9.1 mtt180 -89.08 114.28 25.5 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.49 1.118 . . . . 75.530000000000001 110.318 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.882 HG23 HD23 ' A' ' 85' ' ' LEU . 4.1 mm -95.25 103.08 14.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.453 1.096 . . . . 75.310000000000002 109.295 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . 0.787 ' HB2' HD13 ' A' ' 15' ' ' ILE . 2.3 t . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.533 1.146 . . . . 75.019999999999996 110.035 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.787 HD13 ' HB2' ' A' ' 10' ' ' SER . 1.8 mm . . . . . 0 N--CA 1.453 -0.29 0 N-CA-C 109.329 -0.619 . . . . 61.130000000000003 109.329 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . 0.443 ' CB ' ' HB ' ' A' ' 9' ' ' ILE . 0.0 OUTLIER -107.36 -171.65 1.92 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.51 1.131 . . . . 63.350000000000001 111.01 -179.964 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 2.1 p -139.15 129.78 25.94 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.503 1.127 . . . . 72.129999999999995 110.39 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.568 HD22 ' N ' ' A' ' 19' ' ' LEU . 0.5 OUTLIER -142.96 109.25 5.3 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.527 1.142 . . . . 71.340000000000003 109.312 -179.987 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.568 ' N ' HD22 ' A' ' 18' ' ' LEU . 0.4 OUTLIER -73.54 115.36 12.84 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.488 1.117 . . . . 72.340000000000003 109.313 179.974 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.534 HG23 ' CE3' ' A' ' 24' ' ' TRP . 15.0 p -123.49 121.3 62.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.516 1.135 . . . . 65.310000000000002 109.312 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 0.566 ' HB2' ' CD1' ' A' ' 24' ' ' TRP . 71.2 mt-10 -62.19 168.62 3.25 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.493 1.121 . . . . 73.420000000000002 110.304 179.942 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 10.3 mtpt -89.69 15.48 9.54 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.507 1.129 . . . . 71.439999999999998 109.323 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.498 HG12 ' HB3' ' A' ' 21' ' ' GLU . 0.2 OUTLIER -115.02 -37.16 2.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.468 1.105 . . . . 71.209999999999994 109.281 179.994 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' TRP . . . . . 0.566 ' CD1' ' HB2' ' A' ' 21' ' ' GLU . 17.3 m0 -51.58 105.87 0.12 Allowed 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 107.99 -1.115 . . . . 65.450000000000003 107.99 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 19.4 p-10 -61.78 -179.79 0.21 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.527 1.142 . . . . 74.109999999999999 109.311 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . 0.4 ' CG ' ' N ' ' A' ' 27' ' ' ASP . 49.6 p90 -54.58 -38.78 67.12 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.499 1.124 . . . . 72.540000000000006 111.002 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . 0.4 ' N ' ' CG ' ' A' ' 26' ' ' PHE . 12.4 t0 -59.73 -64.73 0.84 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.548 1.155 . . . . 71.030000000000001 109.311 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 78.1 m-20 -54.1 -27.07 30.61 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.537 1.148 . . . . 63.030000000000001 109.321 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 1.037 HD21 HD21 ' A' ' 60' ' ' LEU . 1.3 tp -66.06 -60.96 2.32 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.525 1.141 . . . . 75.239999999999995 109.309 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . 0.446 HD13 ' HA ' ' A' ' 30' ' ' ILE . 22.2 mm -51.28 -34.16 14.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.471 1.107 . . . . 62.219999999999999 109.318 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 11.1 mmt -80.32 -24.44 39.91 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.51 1.131 . . . . 73.030000000000001 111.012 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -67.95 -41.78 81.95 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.476 1.11 . . . . 73.019999999999996 109.284 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.613 ' O ' HG23 ' A' ' 37' ' ' ILE . 2.0 mp -77.64 -41.35 28.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.507 1.129 . . . . 54.43 109.287 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 1.5 m-80 -64.31 -12.94 46.83 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.509 1.131 . . . . 75.549999999999997 109.285 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 35.7 t -90.53 -29.82 17.64 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.533 1.146 . . . . 72.25 110.007 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . 0.501 ' CD ' HD23 ' A' ' 18' ' ' LEU . 9.3 mptt -83.31 -35.88 24.89 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.524 1.14 . . . . 63.140000000000001 109.307 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . 0.617 HD13 HD11 ' A' ' 45' ' ' ILE . 0.9 OUTLIER -86.05 -12.61 11.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.555 1.159 . . . . 71.150000000000006 109.286 180.0 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.324 -0.506 0 O-C-N 124.469 1.105 . . . . 62.409999999999997 110.004 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 N--CA 1.453 -0.859 0 N-CA-C 111.011 -0.419 . . . . 61.119999999999997 111.011 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . 0.651 HG12 HD12 ' A' ' 85' ' ' LEU . 1.4 pp -132.09 104.93 8.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.521 1.138 . . . . 61.130000000000003 109.306 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 24.9 p -69.05 -14.12 62.84 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.466 1.104 . . . . 75.420000000000002 110.38 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 24.0 mtpp -123.25 132.95 54.21 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.492 1.12 . . . . 71.450000000000003 109.288 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.553 HG22 HD11 ' A' ' 85' ' ' LEU . 20.2 pt -122.85 160.06 25.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.474 1.109 . . . . 62.399999999999999 109.3 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . 0.552 ' NZ ' HG23 ' A' ' 59' ' ' VAL . 21.8 tttp -122.54 109.64 14.58 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.503 1.127 . . . . 72.510000000000005 109.286 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' TYR . . . . . 0.783 ' CE2' ' HB2' ' A' ' 69' ' ' ALA . 9.7 p90 -100.65 149.0 24.22 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.447 1.092 . . . . 63.409999999999997 111.009 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . 0.478 ' O ' ' CD2' ' A' ' 50' ' ' TYR . 44.5 tt0 -66.75 152.74 44.91 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.542 1.151 . . . . 70.340000000000003 110.3 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 16.1 t0 -114.05 -174.59 2.5 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.505 1.128 . . . . 72.109999999999999 109.323 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . 0.43 ' N ' ' SD ' ' A' ' 72' ' ' MET . 4.6 pt-20 -75.61 -19.6 59.12 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.514 1.134 . . . . 74.019999999999996 110.282 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -87.23 10.56 16.6 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.481 1.113 . . . . 75.010000000000005 109.27 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 65.04 12.7 55.78 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.541 1.15 . . . . 63.439999999999998 111.0 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -103.42 153.05 20.91 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.49 0.759 . . . . 75.129999999999995 109.313 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 5.1 m-85 -79.65 135.51 36.58 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.492 1.12 . . . . 72.420000000000002 111.049 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.486 HG23 ' O ' ' A' ' 50' ' ' TYR . 0.2 OUTLIER -134.48 144.27 35.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.522 1.139 . . . . 73.299999999999997 109.329 -180.0 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 0.552 HG23 ' NZ ' ' A' ' 49' ' ' LYS . 48.8 t -66.73 163.84 2.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.495 1.122 . . . . 74.450000000000003 109.338 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 1.037 HD21 HD21 ' A' ' 29' ' ' LEU . 0.3 OUTLIER -156.55 115.17 3.36 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.492 1.12 . . . . 72.519999999999996 109.311 -179.951 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . 0.701 ' N ' HD12 ' A' ' 60' ' ' LEU . . . -152.57 21.3 0.82 Allowed Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.485 1.115 . . . . 63.109999999999999 110.997 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 22.8 m -153.35 -176.41 5.79 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.532 0.784 . . . . 60.140000000000001 110.01 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 10.7 t0 -80.27 -26.5 38.91 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.529 1.143 . . . . 72.349999999999994 109.279 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . 0.491 ' O ' ' CG2' ' A' ' 68' ' ' VAL . 6.9 pt-20 -70.52 -14.64 62.6 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.536 1.147 . . . . 62.049999999999997 110.281 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -112.22 -14.86 13.31 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.498 1.124 . . . . 61.420000000000002 109.291 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' TRP . . . . . 0.518 ' CE2' ' HD3' ' A' ' 70' ' ' LYS . 0.1 OUTLIER -94.37 -23.3 17.84 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.503 1.127 . . . . 73.340000000000003 107.99 -179.996 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 8.1 t30 -95.99 -34.87 11.61 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.52 1.138 . . . . 65.430000000000007 109.279 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . 0.491 ' CG2' ' O ' ' A' ' 64' ' ' GLU . 4.2 t -66.55 -22.68 30.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.556 1.16 . . . . 61.32 109.322 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . 0.783 ' HB2' ' CE2' ' A' ' 50' ' ' TYR . . . -90.3 -44.05 9.96 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.481 1.113 . . . . 72.439999999999998 109.311 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . 0.518 ' HD3' ' CE2' ' A' ' 66' ' ' TRP . 14.8 mtpp -60.45 -41.52 94.27 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.482 1.114 . . . . 73.019999999999996 109.292 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 47.7 mm-40 -70.45 -22.81 62.66 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.49 1.119 . . . . 74.019999999999996 110.3 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' MET . . . . . 0.43 ' SD ' ' N ' ' A' ' 53' ' ' GLU . 9.7 ttp -76.59 -29.09 56.42 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.51 1.131 . . . . 71.109999999999999 110.972 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.638 HD12 HD13 ' A' ' 5' ' ' ILE . 4.6 mt -62.29 -38.73 90.5 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.494 1.121 . . . . 61.310000000000002 109.33 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -65.19 -29.46 70.28 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.516 1.135 . . . . 54.240000000000002 109.312 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 64.9 mt-10 -84.82 -26.72 27.27 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.461 1.101 . . . . 62.539999999999999 110.314 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 76' ' ' ASN . . . . . 0.518 ' N ' HD22 ' A' ' 76' ' ' ASN . 1.5 m-80 -90.79 -12.13 37.35 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.514 1.134 . . . . 71.299999999999997 109.33 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 33.1 m-80 62.01 43.43 9.01 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.56 1.163 . . . . 71.040000000000006 109.307 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . 0.408 ' CD ' HD22 ' A' ' 73' ' ' LEU . 13.9 pt-20 -121.23 163.97 17.68 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.503 1.127 . . . . 75.219999999999999 110.29 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . 0.68 ' H ' ' HZ3' ' A' ' 79' ' ' LYS . 0.0 OUTLIER -121.02 -1.66 9.81 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.467 1.104 . . . . 74.230000000000004 109.301 -179.977 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 32.4 p90 -122.11 173.72 7.39 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.495 1.122 . . . . 63.229999999999997 111.045 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.768 HD21 ' HB2' ' A' ' 50' ' ' TYR . 0.7 OUTLIER -134.09 173.76 11.23 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.509 1.131 . . . . 72.129999999999995 109.318 179.999 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 82' ' ' ASN . . . . . 0.671 ' H ' HD23 ' A' ' 81' ' ' LEU . 1.5 t30 -135.34 105.78 6.41 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.526 1.141 . . . . 63.310000000000002 109.305 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . 0.759 HD11 HD22 ' A' ' 81' ' ' LEU . 23.7 mm -104.86 146.68 11.76 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.515 1.135 . . . . 74.200000000000003 109.289 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 84' ' ' ARG . . . . . 0.646 ' C ' HD22 ' A' ' 85' ' ' LEU . 15.8 ttm-85 -118.92 140.11 50.53 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.498 1.124 . . . . 72.209999999999994 110.274 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.882 HD23 HG23 ' A' ' 9' ' ' ILE . 2.9 mm? -137.28 116.65 12.73 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.536 1.147 . . . . 72.329999999999998 109.32 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 7.8 t80 . . . . . 0 C--N 1.325 -0.489 0 O-C-N 124.531 1.144 . . . . 73.400000000000006 110.955 -179.962 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . 0.406 ' HB2' HD11 ' A' ' 19' ' ' LEU . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.292 0 N-CA-C 109.971 -0.381 . . . . 72.140000000000001 109.971 . . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . 0.438 HG13 ' CE ' ' A' ' 22' ' ' LYS . 71.0 mt -134.13 155.91 40.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.503 1.127 . . . . 72.299999999999997 109.282 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -102.63 154.96 18.63 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.481 1.113 . . . . 73.200000000000003 109.328 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . 0.595 ' CE2' HD11 ' A' ' 29' ' ' LEU . 0.3 OUTLIER -142.37 107.59 4.98 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.537 1.148 . . . . 63.210000000000001 111.028 179.98 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . 0.431 ' HG2' HG22 ' A' ' 17' ' ' THR . 17.2 mtp180 -88.41 120.92 30.24 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.502 1.126 . . . . 74.25 110.318 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.522 HG12 HG23 ' A' ' 33' ' ' ILE . 3.8 mp -101.3 94.34 3.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.556 1.16 . . . . 73.519999999999996 109.286 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . 0.936 ' OG ' HG23 ' A' ' 15' ' ' ILE . 19.1 m . . . . . 0 C--N 1.324 -0.5 0 O-C-N 124.506 1.129 . . . . 75.540000000000006 109.963 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.936 HG23 ' OG ' ' A' ' 10' ' ' SER . 1.4 mp . . . . . 0 N--CA 1.453 -0.318 0 N-CA-C 109.319 -0.623 . . . . 44.149999999999999 109.319 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . 0.411 ' O ' ' HA ' ' A' ' 8' ' ' ARG . 24.6 m-85 -119.41 -176.91 3.24 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.589 1.18 . . . . 75.120000000000005 111.03 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.431 HG22 ' HG2' ' A' ' 8' ' ' ARG . 3.1 p -130.29 154.98 47.06 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.509 1.13 . . . . 73.120000000000005 110.388 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.818 HD11 ' HB1' ' A' ' 32' ' ' ALA . 2.9 tm? -154.29 105.79 2.72 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.527 1.142 . . . . 73.540000000000006 109.265 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.496 ' C ' ' CD1' ' A' ' 19' ' ' LEU . 0.2 OUTLIER -71.89 105.96 4.03 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.473 1.108 . . . . 73.519999999999996 109.352 179.951 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.666 HG23 ' CE3' ' A' ' 24' ' ' TRP . 13.3 p -107.5 124.04 63.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.531 1.144 . . . . 74.150000000000006 109.271 -179.95 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 0.558 ' HB2' ' CD1' ' A' ' 24' ' ' TRP . 21.4 mt-10 -61.86 168.92 2.81 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.47 1.106 . . . . 72.239999999999995 110.299 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . 0.438 ' CE ' HG13 ' A' ' 5' ' ' ILE . 70.4 mttt -87.79 11.94 14.19 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.468 1.105 . . . . 73.340000000000003 109.289 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.494 HG12 ' HB3' ' A' ' 21' ' ' GLU . 0.2 OUTLIER -111.85 -32.25 2.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.473 1.108 . . . . 53.340000000000003 109.345 179.996 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' TRP . . . . . 0.666 ' CE3' HG23 ' A' ' 20' ' ' VAL . 16.2 m0 -58.87 89.17 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.522 1.139 . . . . 75.340000000000003 108.016 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . 0.513 ' HA ' ' CE2' ' A' ' 66' ' ' TRP . 10.7 p-10 -52.86 177.47 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.485 1.115 . . . . 64.420000000000002 109.347 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . 0.469 ' CG ' ' N ' ' A' ' 27' ' ' ASP . 10.5 p90 -46.83 -38.13 9.78 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.502 1.126 . . . . 64.540000000000006 110.954 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . 0.469 ' N ' ' CG ' ' A' ' 26' ' ' PHE . 2.6 t0 -61.21 -71.69 0.14 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.509 1.131 . . . . 64.439999999999998 109.274 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -47.39 -29.61 2.74 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.477 1.111 . . . . 72.340000000000003 109.293 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.595 HD11 ' CE2' ' A' ' 7' ' ' PHE . 1.7 tp -61.11 -55.26 34.51 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.459 1.1 . . . . 42.039999999999999 109.309 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . 0.473 HD13 ' HA ' ' A' ' 30' ' ' ILE . 15.3 mm -57.2 -43.85 82.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.516 1.135 . . . . 73.0 109.277 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 26.0 mtp -66.54 -24.39 66.36 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.48 1.112 . . . . 74.140000000000001 111.049 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . 0.818 ' HB1' HD11 ' A' ' 18' ' ' LEU . . . -65.43 -54.25 31.32 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.526 1.141 . . . . 71.109999999999999 109.289 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.522 HG23 HG12 ' A' ' 9' ' ' ILE . 4.3 mp -67.0 -46.65 84.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.128 . . . . 75.430000000000007 109.301 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 1.3 m-80 -53.15 -21.34 4.86 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.486 1.116 . . . . 71.120000000000005 109.31 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 2.3 t -73.21 -37.27 66.49 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.442 1.089 . . . . 74.310000000000002 110.033 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . 0.584 ' CE ' HD23 ' A' ' 18' ' ' LEU . 2.0 mptp? -74.15 -45.39 49.05 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.501 1.126 . . . . 75.439999999999998 109.308 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . 0.79 HD13 HD11 ' A' ' 45' ' ' ILE . 0.3 OUTLIER -82.06 -3.46 7.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.469 1.106 . . . . 74.420000000000002 109.308 179.967 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 41.7 t . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.506 1.129 . . . . 72.040000000000006 110.009 -179.975 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo . . . . . 0 N--CA 1.453 -0.892 0 N-CA-C 111.03 -0.412 . . . . 74.140000000000001 111.03 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . 1.014 HG21 HD11 ' A' ' 85' ' ' LEU . 1.5 pp -130.83 98.43 3.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.488 1.118 . . . . 71.049999999999997 109.27 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . 0.44 ' O ' HD12 ' A' ' 30' ' ' ILE . 16.3 p -73.47 -4.98 37.11 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.492 1.12 . . . . 74.209999999999994 110.379 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 7.9 mmmm -121.4 129.82 53.24 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.461 1.1 . . . . 74.109999999999999 109.344 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.724 ' O ' HD12 ' A' ' 48' ' ' ILE . 1.9 pp -128.48 139.01 53.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.534 1.146 . . . . 63.409999999999997 109.297 -179.953 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 17.9 ttmt -93.22 112.59 24.57 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.522 1.139 . . . . 65.430000000000007 109.31 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' TYR . . . . . 0.758 ' HA ' HD13 ' A' ' 83' ' ' ILE . 8.0 p90 -103.08 147.23 27.24 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.536 1.148 . . . . 74.219999999999999 111.016 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 51.5 tt0 -76.67 145.83 38.51 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.513 1.133 . . . . 73.109999999999999 110.327 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 14.2 t0 -113.53 -171.57 1.91 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.49 1.119 . . . . 74.219999999999999 109.304 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . 0.451 ' HB3' ' CG ' ' A' ' 72' ' ' MET . 2.4 pp20? -74.02 -18.32 60.86 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.509 1.131 . . . . 64.319999999999993 110.264 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -84.34 6.54 22.66 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.466 1.104 . . . . 64.540000000000006 109.302 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 63.04 12.04 41.45 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.492 1.12 . . . . 53.439999999999998 110.977 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -100.4 153.71 19.11 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.557 0.798 . . . . 71.340000000000003 109.273 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 39.5 m-85 -90.45 120.9 31.95 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 64.340000000000003 111.001 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.688 HG23 ' CE1' ' A' ' 50' ' ' TYR . 0.3 OUTLIER -122.06 148.67 25.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.548 1.155 . . . . 64.439999999999998 109.284 -179.999 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 13.1 p -72.95 149.07 8.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.464 1.103 . . . . 53.140000000000001 109.279 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.921 HD12 ' N ' ' A' ' 61' ' ' GLY . 0.3 OUTLIER -133.39 120.29 20.76 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.479 1.112 . . . . 64.329999999999998 109.326 179.997 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . 0.921 ' N ' HD12 ' A' ' 60' ' ' LEU . . . -163.31 27.75 0.23 Allowed Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.541 1.151 . . . . 31.23 110.964 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 72.1 m -150.67 167.75 26.41 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.522 0.778 . . . . 62.439999999999998 110.001 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . 0.444 ' O ' ' N ' ' A' ' 67' ' ' ASN . 1.2 p-10 -73.38 -29.83 62.87 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.478 1.111 . . . . 71.200000000000003 109.267 -179.937 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . 0.629 ' O ' HG23 ' A' ' 68' ' ' VAL . 2.6 tt0 -67.31 -38.09 84.41 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.506 1.129 . . . . 64.299999999999997 110.324 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 10.2 m-20 -85.7 -11.89 52.56 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.506 1.129 . . . . 75.120000000000005 109.344 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' TRP . . . . . 0.592 ' CZ3' ' OD1' ' A' ' 67' ' ' ASN . 5.8 t90 -97.62 -22.62 16.38 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.523 1.139 . . . . 75.129999999999995 108.02 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . 0.592 ' OD1' ' CZ3' ' A' ' 66' ' ' TRP . 42.1 m-20 -94.87 -46.87 6.68 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.525 1.14 . . . . 71.540000000000006 109.33 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . 0.629 HG23 ' O ' ' A' ' 64' ' ' GLU . 86.1 t -62.96 -36.06 74.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.545 1.153 . . . . 71.049999999999997 109.271 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . 0.473 ' HB2' ' CE2' ' A' ' 50' ' ' TYR . . . -70.1 -49.96 45.61 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.556 1.16 . . . . 55.439999999999998 109.284 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . 0.438 ' HZ2' ' HB3' ' A' ' 70' ' ' LYS . 14.0 mtpp -56.33 -44.17 79.73 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.451 1.094 . . . . 74.329999999999998 109.308 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 16.7 mt-10 -66.67 -24.26 66.25 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.527 1.142 . . . . 65.010000000000005 110.334 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' MET . . . . . 0.451 ' CG ' ' HB3' ' A' ' 53' ' ' GLU . 4.1 tpt -75.11 -16.12 60.56 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.556 1.16 . . . . 55.140000000000001 111.001 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.549 HD21 HD23 ' A' ' 81' ' ' LEU . 3.2 mt -65.5 -52.41 52.97 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.458 1.098 . . . . 74.230000000000004 109.286 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -57.62 -20.81 35.51 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.5 1.125 . . . . 61.009999999999998 109.27 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 13.0 mm-40 -96.28 -26.23 15.48 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.449 1.093 . . . . 74.349999999999994 110.328 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 76' ' ' ASN . . . . . 0.433 ' N ' ' O ' ' A' ' 72' ' ' MET . 93.6 m-20 -82.12 -11.53 58.7 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.444 1.09 . . . . 74.120000000000005 109.263 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 14.7 m-80 60.39 35.53 20.52 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.473 1.108 . . . . 51.509999999999998 109.274 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . 0.436 ' OE1' HD22 ' A' ' 73' ' ' LEU . 9.7 pt-20 -118.08 161.2 20.22 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.491 1.119 . . . . 61.530000000000001 110.282 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -119.98 19.0 12.42 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.568 1.167 . . . . 75.230000000000004 109.298 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 7.7 p90 -154.49 165.99 34.7 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.477 1.111 . . . . 73.450000000000003 110.985 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.858 HD13 ' N ' ' A' ' 82' ' ' ASN . 1.8 tm? -118.47 160.91 20.88 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.504 1.127 . . . . 75.540000000000006 109.284 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 82' ' ' ASN . . . . . 0.858 ' N ' HD13 ' A' ' 81' ' ' LEU . 1.0 OUTLIER -129.25 136.06 49.61 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.484 1.115 . . . . 64.040000000000006 109.351 179.968 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . 0.758 HD13 ' HA ' ' A' ' 50' ' ' TYR . 46.2 mm -126.88 157.97 37.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.503 1.127 . . . . 71.239999999999995 109.265 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 13.1 ttm180 -138.71 128.99 25.72 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.498 1.124 . . . . 75.129999999999995 110.313 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 1.014 HD11 HG21 ' A' ' 45' ' ' ILE . 0.1 OUTLIER -113.94 139.99 48.76 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.48 1.112 . . . . 63.149999999999999 109.343 179.967 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 86' ' ' TYR . . . . . 0.594 ' H ' HD13 ' A' ' 85' ' ' LEU . 9.1 p90 . . . . . 0 C--N 1.324 -0.5 0 O-C-N 124.5 1.125 . . . . 74.510000000000005 111.033 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . 0.531 ' HB2' HD11 ' A' ' 19' ' ' LEU . 0.4 OUTLIER . . . . . 0 N--CA 1.453 -0.293 0 N-CA-C 110.029 -0.36 . . . . 61.399999999999999 110.029 . . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . 0.526 ' CG2' ' CE1' ' A' ' 7' ' ' PHE . 45.5 mt -132.69 152.9 37.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.435 1.084 . . . . 44.119999999999997 109.282 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.986 HD13 ' N ' ' A' ' 7' ' ' PHE . 2.6 tm? -122.87 148.75 45.06 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.484 1.115 . . . . 71.420000000000002 109.269 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . 1.077 ' CE2' HG11 ' A' ' 20' ' ' VAL . 22.8 m-85 -131.72 131.18 42.83 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.514 1.134 . . . . 73.040000000000006 110.998 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . 0.44 ' HB3' HG23 ' A' ' 15' ' ' ILE . 54.9 mtp180 -95.04 71.89 3.37 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.502 1.126 . . . . 70.420000000000002 110.273 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.658 ' H ' HD12 ' A' ' 9' ' ' ILE . 5.1 mp -60.02 124.04 13.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.485 1.116 . . . . 74.510000000000005 109.295 179.938 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . 0.506 ' O ' ' CB ' ' A' ' 85' ' ' LEU . 1.4 p . . . . . 0 C--N 1.324 -0.504 0 O-C-N 124.479 1.112 . . . . 74.129999999999995 110.003 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.731 HD12 ' N ' ' A' ' 15' ' ' ILE . 3.0 mp . . . . . 0 N--CA 1.453 -0.277 0 N-CA-C 109.293 -0.632 . . . . 71.530000000000001 109.293 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 3.0 m-85 -117.24 122.68 44.66 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.455 1.097 . . . . 74.409999999999997 111.002 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.631 ' HB ' HD21 ' A' ' 6' ' ' LEU . 2.2 p -81.03 129.23 34.44 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.531 1.144 . . . . 72.549999999999997 110.375 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.605 HD23 ' CD ' ' A' ' 36' ' ' LYS . 1.5 tm? -124.82 101.79 7.25 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.483 1.114 . . . . 74.140000000000001 109.262 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.531 HD11 ' HB2' ' A' ' 4' ' ' SER . 0.3 OUTLIER -71.54 105.8 3.76 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.513 1.133 . . . . 62.520000000000003 109.286 -179.999 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 1.077 HG11 ' CE2' ' A' ' 7' ' ' PHE . 7.2 p -106.43 147.64 11.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.485 1.116 . . . . 61.329999999999998 109.308 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 0.565 ' HB2' ' CD1' ' A' ' 24' ' ' TRP . 2.2 mm-40 -86.98 164.42 16.52 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.502 1.126 . . . . 74.549999999999997 110.33 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 3.3 mtpt -90.99 18.3 6.86 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.522 1.139 . . . . 75.530000000000001 109.312 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.543 ' O ' HG22 ' A' ' 23' ' ' VAL . 0.7 OUTLIER -126.07 3.36 4.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.458 1.099 . . . . 74.400000000000006 109.291 -179.97 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' TRP . . . . . 0.565 ' CD1' ' HB2' ' A' ' 21' ' ' GLU . 31.7 m0 -90.06 131.69 35.79 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.496 1.122 . . . . 74.319999999999993 108.025 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 20.3 p-10 -81.35 -175.47 5.49 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.517 1.136 . . . . 54.039999999999999 109.27 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . 0.5 ' CG ' ' N ' ' A' ' 27' ' ' ASP . 8.6 p90 -61.79 -39.82 93.07 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.506 1.129 . . . . 74.200000000000003 110.988 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . 0.5 ' N ' ' CG ' ' A' ' 26' ' ' PHE . 4.7 t70 -62.35 -46.01 90.63 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 72.340000000000003 109.253 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 16.4 m-20 -66.66 -35.96 81.42 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.525 1.141 . . . . 64.349999999999994 109.323 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.658 HD21 HD21 ' A' ' 60' ' ' LEU . 10.6 tp -59.05 -56.51 21.35 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.567 1.167 . . . . 75.430000000000007 109.287 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . 0.467 HD13 ' HA ' ' A' ' 30' ' ' ILE . 25.9 mm -56.06 -49.23 76.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.539 1.149 . . . . 71.400000000000006 109.311 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 8.2 mmt -60.73 -24.74 65.93 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.473 1.108 . . . . 65.040000000000006 110.991 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . 0.602 ' HB1' HD11 ' A' ' 18' ' ' LEU . . . -66.97 -49.24 66.04 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.526 1.141 . . . . 51.210000000000001 109.268 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.639 ' O ' HG23 ' A' ' 37' ' ' ILE . 2.9 mp -69.78 -40.6 79.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.485 1.116 . . . . 75.409999999999997 109.312 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 1.3 m-80 -62.78 -15.91 55.74 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.131 . . . . 74.129999999999995 109.319 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 1.6 t -86.4 -41.8 14.17 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.517 1.136 . . . . 74.530000000000001 110.023 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . 0.605 ' CD ' HD23 ' A' ' 18' ' ' LEU . 3.1 mptt -69.36 -38.36 78.04 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.504 1.127 . . . . 53.009999999999998 109.321 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . 0.639 HG23 ' O ' ' A' ' 33' ' ' ILE . 0.8 OUTLIER -88.99 -5.49 10.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.493 1.12 . . . . 64.400000000000006 109.294 179.994 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 41.5 t . . . . . 0 C--N 1.324 -0.507 0 O-C-N 124.53 1.144 . . . . 72.340000000000003 110.011 -179.991 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 N--CA 1.453 -0.865 0 N-CA-C 110.977 -0.432 . . . . 75.239999999999995 110.977 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . 0.689 HD12 ' O ' ' A' ' 45' ' ' ILE . 1.4 pp -135.11 125.5 44.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.501 1.126 . . . . 74.25 109.301 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 37.3 p -104.73 41.94 1.27 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.531 1.144 . . . . 54.049999999999997 110.417 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 9.1 ptmm? -174.52 110.16 0.14 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.493 1.12 . . . . 71.239999999999995 109.319 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.506 HD12 HD12 ' A' ' 83' ' ' ILE . 5.9 pt -106.95 130.74 58.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.518 1.136 . . . . 63.210000000000001 109.336 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 31.6 mttt -85.04 113.16 21.25 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.492 1.12 . . . . 73.420000000000002 109.315 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' TYR . . . . . 0.671 ' CE1' HG23 ' A' ' 58' ' ' VAL . 8.7 p90 -107.29 147.22 30.53 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.539 1.149 . . . . 74.129999999999995 110.981 -179.949 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 38.1 tt0 -72.01 152.24 42.59 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.534 1.146 . . . . 63.520000000000003 110.322 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 14.6 t0 -107.27 177.32 4.88 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.485 1.116 . . . . 60.43 109.292 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 1.2 pm0 -69.3 -20.01 63.89 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.521 1.138 . . . . 71.140000000000001 110.299 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -88.4 11.75 16.05 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.501 1.126 . . . . 73.030000000000001 109.315 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 68.25 10.91 60.64 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.461 1.1 . . . . 63.009999999999998 110.99 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 14.0 m-20 -88.99 176.88 6.82 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.491 0.76 . . . . 74.129999999999995 109.295 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . 0.476 ' CD1' ' N ' ' A' ' 57' ' ' PHE . 1.6 p90 -116.17 124.17 49.63 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.121 . . . . 74.129999999999995 111.039 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.671 HG23 ' CE1' ' A' ' 50' ' ' TYR . 0.1 OUTLIER -126.45 158.6 36.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.533 1.145 . . . . 71.010000000000005 109.261 179.984 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 14.5 p -84.46 145.37 8.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.47 1.106 . . . . 51.0 109.253 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.688 HD12 ' N ' ' A' ' 61' ' ' GLY . 0.7 OUTLIER -135.62 119.02 16.79 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.467 1.104 . . . . 43.43 109.301 179.994 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . 0.688 ' N ' HD12 ' A' ' 60' ' ' LEU . . . -158.4 25.02 0.38 Allowed Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.469 1.106 . . . . 73.219999999999999 110.994 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 1.8 m -153.81 170.05 21.9 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.494 0.761 . . . . 51.350000000000001 110.008 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -69.44 -31.28 69.5 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.502 1.126 . . . . 70.150000000000006 109.303 -179.95 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . 0.462 ' HA ' ' ND2' ' A' ' 67' ' ' ASN . 10.5 tt0 -72.92 -13.24 61.22 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.511 1.132 . . . . 73.209999999999994 110.34 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . 0.489 ' C ' HD13 ' A' ' 60' ' ' LEU . 1.1 m-20 -110.32 -8.19 14.74 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 71.519999999999996 109.326 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' TRP . . . . . 0.567 ' CH2' ' HD3' ' A' ' 70' ' ' LYS . 7.8 t-105 -102.91 -15.27 16.22 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.496 1.122 . . . . 64.150000000000006 107.997 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . 0.891 HD21 HG23 ' A' ' 68' ' ' VAL . 0.1 OUTLIER -101.51 -37.41 8.42 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.456 1.098 . . . . 73.519999999999996 109.323 -179.996 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . 0.891 HG23 HD21 ' A' ' 67' ' ' ASN . 20.9 t -78.55 -7.85 10.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.458 1.099 . . . . 42.509999999999998 109.31 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . 0.543 ' CB ' ' CE2' ' A' ' 50' ' ' TYR . . . -100.1 -30.93 11.68 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.469 1.105 . . . . 52.130000000000003 109.299 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . 0.567 ' HD3' ' CH2' ' A' ' 66' ' ' TRP . 17.5 mtmm -66.18 -41.72 89.87 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.486 1.116 . . . . 62.340000000000003 109.264 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 57.9 mt-10 -49.76 -35.83 23.8 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.511 1.132 . . . . 54.210000000000001 110.272 -180.0 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' MET . . . . . 0.402 ' O ' ' ND2' ' A' ' 76' ' ' ASN . 2.1 ttt -61.69 -48.01 82.72 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.482 1.113 . . . . 72.340000000000003 111.037 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.454 HD21 HD12 ' A' ' 81' ' ' LEU . 52.8 mt -54.59 -44.56 73.15 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.508 1.13 . . . . 75.219999999999999 109.33 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -61.45 -34.89 76.19 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.469 1.106 . . . . 74.409999999999997 109.272 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 60.9 mt-10 -78.45 -25.57 45.94 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.496 1.123 . . . . 75.230000000000004 110.29 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 76' ' ' ASN . . . . . 0.551 ' N ' HD22 ' A' ' 76' ' ' ASN . 1.4 m-80 -89.94 -15.17 32.58 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.436 1.085 . . . . 71.340000000000003 109.277 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 77' ' ' ASN . . . . . 0.414 ' N ' ' O ' ' A' ' 73' ' ' LEU . 37.5 m-80 57.13 40.13 28.5 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.511 1.132 . . . . 75.400000000000006 109.324 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . 0.442 ' HB2' ' CD1' ' A' ' 80' ' ' PHE . 18.5 pt-20 -118.72 161.08 20.71 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.449 1.093 . . . . 63.43 110.365 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 2.2 ttpm? -111.85 16.51 20.38 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.517 1.135 . . . . 73.420000000000002 109.288 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 80' ' ' PHE . . . . . 0.442 ' CD1' ' HB2' ' A' ' 78' ' ' GLU . 12.6 p90 -142.21 150.67 41.3 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.508 1.13 . . . . 75.340000000000003 110.985 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.74 HD23 ' N ' ' A' ' 82' ' ' ASN . 7.4 tt -130.62 159.85 35.97 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.518 1.136 . . . . 61.140000000000001 109.301 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 82' ' ' ASN . . . . . 0.74 ' N ' HD23 ' A' ' 81' ' ' LEU . 1.4 t30 -99.49 116.68 32.19 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.486 1.117 . . . . 71.349999999999994 109.29 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . 0.673 HD11 HD22 ' A' ' 81' ' ' LEU . 46.9 mm -117.18 138.36 48.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.499 1.125 . . . . 75.049999999999997 109.298 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 84' ' ' ARG . . . . . 0.421 ' CG ' ' N ' ' A' ' 85' ' ' LEU . 56.9 ttt-85 -111.63 154.96 24.12 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.481 1.113 . . . . 73.430000000000007 110.298 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.612 HD21 HG12 ' A' ' 45' ' ' ILE . 5.3 tp -153.74 115.74 4.29 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.478 1.111 . . . . 71.140000000000001 109.289 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 86' ' ' TYR . . . . . 0.493 ' CG ' ' O ' ' A' ' 86' ' ' TYR . 10.9 p90 . . . . . 0 C--N 1.325 -0.5 0 O-C-N 124.525 1.141 . . . . 74.25 111.022 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 1.3 p . . . . . 0 N--CA 1.453 -0.323 0 N-CA-C 110.012 -0.366 . . . . 43.530000000000001 110.012 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . 0.721 ' O ' HD22 ' A' ' 19' ' ' LEU . 28.2 mt -143.05 164.06 16.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.458 1.099 . . . . 74.209999999999994 109.307 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.842 HD13 ' N ' ' A' ' 7' ' ' PHE . 3.3 tm? -124.84 147.92 48.5 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.482 1.114 . . . . 74.549999999999997 109.328 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . 0.842 ' N ' HD13 ' A' ' 6' ' ' LEU . 11.3 m-85 -147.06 116.5 7.03 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.468 1.105 . . . . 75.219999999999999 111.002 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . 0.594 ' HG2' HG22 ' A' ' 17' ' ' THR . 44.8 mtt180 -89.35 99.75 12.68 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.5 1.125 . . . . 70.409999999999997 110.271 -179.952 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.974 HG23 HD23 ' A' ' 85' ' ' LEU . 4.6 mp -81.65 112.14 19.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.479 1.112 . . . . 52.439999999999998 109.315 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . 0.778 ' HB3' HG23 ' A' ' 15' ' ' ILE . 11.7 p . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.503 1.127 . . . . 64.109999999999999 110.015 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.842 HD12 ' N ' ' A' ' 15' ' ' ILE . 1.4 mp . . . . . 0 N--CA 1.453 -0.307 0 N-CA-C 109.277 -0.638 . . . . 64.25 109.277 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . 0.412 ' O ' ' HA ' ' A' ' 8' ' ' ARG . 29.2 m-85 -121.12 178.77 4.62 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.507 1.129 . . . . 75.099999999999994 111.005 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.594 HG22 ' HG2' ' A' ' 8' ' ' ARG . 4.7 p -129.88 135.02 47.88 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.472 1.107 . . . . 55.119999999999997 110.396 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.607 HD22 ' N ' ' A' ' 19' ' ' LEU . 1.5 tm? -131.82 122.26 25.46 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.472 1.108 . . . . 64.400000000000006 109.329 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.721 HD22 ' O ' ' A' ' 5' ' ' ILE . 0.8 OUTLIER -93.69 113.6 25.72 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.473 1.108 . . . . 75.230000000000004 109.272 -179.961 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.617 HG23 ' CE3' ' A' ' 24' ' ' TRP . 8.8 p -109.67 148.17 13.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.498 1.124 . . . . 72.340000000000003 109.267 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 0.571 ' HB2' ' CD1' ' A' ' 24' ' ' TRP . 3.7 mm-40 -79.59 171.58 14.95 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.507 1.13 . . . . 63.149999999999999 110.32 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 85.6 mttt -91.83 16.46 10.83 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.575 1.172 . . . . 75.140000000000001 109.3 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.499 ' CG2' ' O ' ' A' ' 23' ' ' VAL . 0.2 OUTLIER -123.29 0.64 6.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.477 1.111 . . . . 74.420000000000002 109.316 -179.982 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' TRP . . . . . 0.617 ' CE3' HG23 ' A' ' 20' ' ' VAL . 18.4 m0 -93.07 92.73 7.94 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.504 1.127 . . . . 74.140000000000001 107.977 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . 0.413 ' OD1' ' N ' ' A' ' 25' ' ' ASN . 7.3 p-10 -52.61 177.3 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.503 1.127 . . . . 74.430000000000007 109.278 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 13.2 p90 -52.98 -32.32 45.59 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.525 1.141 . . . . 63.210000000000001 110.985 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 4.8 t0 -65.19 -66.58 0.53 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.5 1.125 . . . . 75.340000000000003 109.269 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . 0.558 ' O ' ' HB2' ' A' ' 32' ' ' ALA . 17.3 t0 -55.19 -27.05 43.07 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.438 1.086 . . . . 75.219999999999999 109.274 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.583 ' O ' HD12 ' A' ' 33' ' ' ILE . 0.9 OUTLIER -63.02 -46.01 89.63 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.507 1.129 . . . . 63.43 109.305 179.974 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . 0.436 ' HA ' HD13 ' A' ' 30' ' ' ILE . 14.2 mm -69.44 -50.98 46.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.479 1.112 . . . . 70.510000000000005 109.29 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 39.2 mmm -63.17 -16.32 59.71 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.43 1.081 . . . . 61.210000000000001 111.003 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . 0.558 ' HB2' ' O ' ' A' ' 28' ' ' ASP . . . -76.04 -50.62 14.27 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.518 1.136 . . . . 60.329999999999998 109.234 -179.938 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.729 ' CG2' HD11 ' A' ' 45' ' ' ILE . 3.5 mp -70.38 -39.97 77.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.545 1.153 . . . . 72.430000000000007 109.268 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -50.24 -24.05 2.63 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.554 1.158 . . . . 73.319999999999993 109.301 -179.953 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . 0.424 ' O ' ' CB ' ' A' ' 38' ' ' SER . 4.4 m -83.5 -43.61 15.59 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.121 . . . . 74.400000000000006 109.991 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . 0.577 ' HE2' HD23 ' A' ' 18' ' ' LEU . 3.6 mptt -61.46 -35.56 77.96 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.555 1.159 . . . . 74.129999999999995 109.315 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . 0.425 ' CD1' HG12 ' A' ' 45' ' ' ILE . 2.6 pt -82.04 -13.11 12.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.556 1.16 . . . . 60.149999999999999 109.349 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . 0.424 ' CB ' ' O ' ' A' ' 35' ' ' SER . 6.4 t . . . . . 0 C--N 1.326 -0.452 0 O-C-N 124.482 1.114 . . . . 73.319999999999993 109.972 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 N--CA 1.453 -0.868 0 N-CA-C 110.987 -0.428 . . . . 73.200000000000003 110.987 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . 0.953 HG21 ' HG ' ' A' ' 85' ' ' LEU . 11.5 pt -116.83 151.47 18.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.534 1.146 . . . . 64.310000000000002 109.303 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 42.9 p -119.15 5.61 11.27 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.46 1.1 . . . . 74.25 110.366 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . 0.641 ' HB2' HG23 ' A' ' 59' ' ' VAL . 10.3 ptmt -174.46 132.76 0.37 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.447 1.092 . . . . 71.349999999999994 109.287 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 1.017 HG22 HD21 ' A' ' 85' ' ' LEU . 2.4 pt -115.36 123.99 71.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.472 1.107 . . . . 73.409999999999997 109.344 179.938 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . 0.421 ' HD3' ' N ' ' A' ' 59' ' ' VAL . 0.0 OUTLIER -87.13 117.11 25.65 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.526 1.141 . . . . 70.540000000000006 109.273 -179.959 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' TYR . . . . . 0.854 ' HB2' HD11 ' A' ' 81' ' ' LEU . 3.6 p90 -109.17 139.27 44.3 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.42 1.075 . . . . 74.310000000000002 111.029 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . 0.55 ' O ' HD21 ' A' ' 81' ' ' LEU . 49.6 tt0 -72.78 141.45 48.08 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.522 1.139 . . . . 72.319999999999993 110.288 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -113.64 -170.97 1.8 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.537 1.148 . . . . 55.439999999999998 109.241 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 2.5 pp20? -65.63 -32.34 73.85 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.497 1.123 . . . . 72.129999999999995 110.283 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 3.8 t70 -63.62 -14.29 50.28 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.476 1.11 . . . . 74.010000000000005 109.311 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 78.58 37.3 27.38 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.473 1.108 . . . . 73.310000000000002 110.995 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 5.4 t70 -136.7 149.0 47.65 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.472 0.748 . . . . 75.349999999999994 109.316 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 3.5 m-85 -85.23 113.92 21.95 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.548 1.155 . . . . 73.209999999999994 111.023 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.638 HG23 ' CE1' ' A' ' 50' ' ' TYR . 0.0 OUTLIER -109.6 129.87 63.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.454 1.096 . . . . 70.150000000000006 109.313 -179.978 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 0.641 HG23 ' HB2' ' A' ' 47' ' ' LYS . 1.4 p -55.7 132.99 19.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.51 1.131 . . . . 73.200000000000003 109.265 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.921 HD12 ' N ' ' A' ' 61' ' ' GLY . 0.4 OUTLIER -120.51 124.7 46.03 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.484 1.115 . . . . 64.150000000000006 109.298 -179.994 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . 0.921 ' N ' HD12 ' A' ' 60' ' ' LEU . . . -166.91 29.67 0.18 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.57 1.168 . . . . 70.099999999999994 111.031 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 1.6 p -146.44 161.84 39.55 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.495 0.761 . . . . 40.549999999999997 109.987 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 50.4 t0 -65.31 -20.11 66.26 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.484 1.115 . . . . 53.200000000000003 109.308 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . 0.666 ' O ' HG23 ' A' ' 68' ' ' VAL . 11.1 pt-20 -85.5 -40.91 15.83 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.489 1.118 . . . . 73.549999999999997 110.306 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . 0.607 ' C ' HD13 ' A' ' 60' ' ' LEU . 66.0 m-20 -79.87 1.73 26.0 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.503 1.127 . . . . 74.400000000000006 109.313 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' TRP . . . . . 0.561 ' CZ2' ' HE2' ' A' ' 70' ' ' LYS . 1.3 t90 -102.68 -40.9 6.41 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 108.005 -1.109 . . . . 75.200000000000003 108.005 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . 0.496 ' C ' ' OD1' ' A' ' 67' ' ' ASN . 0.7 OUTLIER -82.16 -40.81 21.26 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.486 1.116 . . . . 70.510000000000005 109.277 -179.945 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . 0.666 HG23 ' O ' ' A' ' 64' ' ' GLU . 89.5 t -66.13 -14.53 17.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.515 1.134 . . . . 74.409999999999997 109.294 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -89.82 -26.8 20.35 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.491 1.12 . . . . 73.120000000000005 109.327 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . 0.597 ' CD ' ' CD1' ' A' ' 5' ' ' ILE . 9.2 mtmp? -83.53 -55.5 4.26 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.547 1.155 . . . . 72.540000000000006 109.272 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 88.1 mt-10 -48.1 -31.99 6.28 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.53 1.144 . . . . 74.299999999999997 110.315 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 16.1 tpp -63.86 -48.26 77.44 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.47 1.106 . . . . 73.310000000000002 110.964 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.727 HD21 HD23 ' A' ' 81' ' ' LEU . 8.3 mt -44.9 -50.33 10.5 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.501 1.126 . . . . 63.350000000000001 109.326 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -55.2 -40.41 70.73 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.466 1.104 . . . . 64.299999999999997 109.301 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 19.9 mm-40 -73.15 -22.96 60.41 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.53 1.144 . . . . 75.140000000000001 110.253 -179.947 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 87.1 m-20 -92.0 -10.51 39.0 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.445 1.091 . . . . 71.129999999999995 109.271 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 3.2 m-80 61.17 32.45 19.53 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.517 1.136 . . . . 54.109999999999999 109.3 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 9.4 pt-20 -117.63 146.43 43.67 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.531 1.145 . . . . 65.239999999999995 110.311 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 9.8 mmmm -105.51 29.1 6.8 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.522 1.139 . . . . 65.439999999999998 109.312 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 13.3 p90 -152.18 173.63 14.74 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.492 1.12 . . . . 73.400000000000006 111.028 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.854 HD11 ' HB2' ' A' ' 50' ' ' TYR . 3.0 tm? -152.73 140.57 20.07 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.541 1.151 . . . . 74.25 109.283 -179.952 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 82' ' ' ASN . . . . . 0.488 ' O ' HD13 ' A' ' 81' ' ' LEU . 0.9 OUTLIER -99.34 141.6 31.91 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.501 1.126 . . . . 70.420000000000002 109.313 179.964 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . 0.552 HD13 ' HA ' ' A' ' 50' ' ' TYR . 38.1 mm -128.25 160.28 38.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.487 1.117 . . . . 55.5 109.321 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 84' ' ' ARG . . . . . 0.603 ' O ' HD22 ' A' ' 85' ' ' LEU . 40.1 ttt-85 -146.4 153.13 40.13 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.463 1.102 . . . . 72.030000000000001 110.302 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 1.017 HD21 HG22 ' A' ' 48' ' ' ILE . 2.0 mm? -137.05 139.88 41.65 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.474 1.109 . . . . 71.150000000000006 109.315 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 86' ' ' TYR . . . . . 0.408 ' C ' ' O ' ' A' ' 85' ' ' LEU . 3.2 t80 . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.497 1.123 . . . . 74.109999999999999 110.96 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . 0.551 ' HB2' HD11 ' A' ' 19' ' ' LEU . 0.7 OUTLIER . . . . . 0 N--CA 1.453 -0.305 0 N-CA-C 110.008 -0.367 . . . . 73.430000000000007 110.008 . . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 53.5 mt -132.9 147.22 31.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.475 1.11 . . . . 64.25 109.297 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.878 HD13 ' N ' ' A' ' 7' ' ' PHE . 3.2 tm? -95.69 148.77 22.21 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.521 1.138 . . . . 72.319999999999993 109.319 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . 0.878 ' N ' HD13 ' A' ' 6' ' ' LEU . 1.2 m-85 -122.29 118.23 28.02 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.503 1.127 . . . . 71.140000000000001 111.007 179.95 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . 0.576 HH21 HD12 ' A' ' 15' ' ' ILE . 6.0 mtp180 -87.91 84.49 6.99 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.523 1.139 . . . . 73.409999999999997 110.313 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.531 ' CG2' HD12 ' A' ' 85' ' ' LEU . 2.0 mp -68.9 109.04 1.8 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.554 1.159 . . . . 75.040000000000006 109.278 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . 0.453 ' O ' ' N ' ' A' ' 85' ' ' LEU . 41.1 m . . . . . 0 C--N 1.324 -0.501 0 O-C-N 124.514 1.134 . . . . 51.229999999999997 110.002 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.576 HD12 HH21 ' A' ' 8' ' ' ARG . 8.7 mm . . . . . 0 N--CA 1.454 -0.258 0 N-CA-C 109.301 -0.629 . . . . 73.239999999999995 109.301 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . 0.556 ' CE1' ' HB3' ' A' ' 36' ' ' LYS . 10.7 t80 -138.27 154.45 49.05 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.517 1.135 . . . . 60.299999999999997 110.978 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.421 ' O ' ' CD1' ' A' ' 16' ' ' PHE . 2.4 p -115.91 150.95 36.27 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.506 1.129 . . . . 70.200000000000003 110.396 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.639 HD12 ' HB2' ' A' ' 36' ' ' LYS . 8.2 tt -157.29 133.84 9.89 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.516 1.135 . . . . 52.409999999999997 109.291 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.557 ' O ' ' CH2' ' A' ' 24' ' ' TRP . 0.2 OUTLIER -87.21 117.61 26.07 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.457 1.098 . . . . 74.010000000000005 109.326 179.969 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.551 ' HA ' ' CZ3' ' A' ' 24' ' ' TRP . 38.5 t -114.51 115.23 48.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.466 1.104 . . . . 72.409999999999997 109.315 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 0.567 ' HB2' ' CD1' ' A' ' 24' ' ' TRP . 21.5 mt-10 -67.81 166.35 15.62 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.45 1.094 . . . . 54.420000000000002 110.291 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 5.3 mtpt -89.84 15.59 9.57 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.453 1.096 . . . . 62.329999999999998 109.298 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.437 HG12 ' HB3' ' A' ' 21' ' ' GLU . 0.2 OUTLIER -116.36 -38.58 2.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.524 1.14 . . . . 70.319999999999993 109.336 179.964 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' TRP . . . . . 0.567 ' CD1' ' HB2' ' A' ' 21' ' ' GLU . 32.8 m0 -45.23 154.72 0.15 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.535 1.147 . . . . 75.5 107.96 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 16.6 p-10 -113.02 -174.2 2.41 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.465 1.103 . . . . 71.510000000000005 109.299 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . 0.451 ' CB ' ' C ' ' A' ' 62' ' ' SER . 7.6 p90 -60.42 -29.39 68.95 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.467 1.104 . . . . 71.409999999999997 111.016 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 20.9 t0 -72.71 -64.0 1.05 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.491 1.119 . . . . 75.230000000000004 109.295 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 81.1 m-20 -53.6 -33.44 54.94 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.463 1.102 . . . . 74.400000000000006 109.353 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 1.049 HD21 HD21 ' A' ' 60' ' ' LEU . 2.3 tp -60.04 -62.6 1.75 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.524 1.14 . . . . 53.219999999999999 109.315 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . 0.461 HD11 HG12 ' A' ' 48' ' ' ILE . 30.9 mm -53.17 -47.02 56.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.522 1.139 . . . . 62.32 109.317 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 37.5 mtp -61.07 -32.9 72.54 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.479 1.112 . . . . 61.119999999999997 110.957 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . 0.469 ' HB3' ' O ' ' A' ' 29' ' ' LEU . . . -60.7 -53.14 61.08 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.486 1.117 . . . . 73.219999999999999 109.272 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.617 ' O ' HG23 ' A' ' 37' ' ' ILE . 3.2 mp -65.08 -39.52 85.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 64.209999999999994 109.333 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . 0.479 ' N ' HD22 ' A' ' 34' ' ' ASN . 1.1 m-80 -68.1 -15.54 63.64 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.48 1.113 . . . . 74.25 109.258 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 2.6 t -91.47 -37.83 12.93 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.423 1.077 . . . . 65.430000000000007 110.028 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . 0.639 ' HB2' HD12 ' A' ' 18' ' ' LEU . 1.2 mptt -74.06 -35.13 64.25 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.488 1.118 . . . . 63.450000000000003 109.32 179.952 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . 0.621 HD13 HD11 ' A' ' 45' ' ' ILE . 2.5 pt -93.84 -3.14 10.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.487 1.117 . . . . 75.5 109.306 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.487 1.117 . . . . 72.25 109.977 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo . . . . . 0 N--CA 1.453 -0.869 0 N-CA-C 110.993 -0.426 . . . . 51.200000000000003 110.993 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . 0.917 HG12 HD22 ' A' ' 85' ' ' LEU . 1.4 pp -115.49 124.48 72.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.512 1.132 . . . . 72.219999999999999 109.346 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 13.9 p -94.57 2.97 55.66 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.456 1.098 . . . . 75.530000000000001 110.34 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -142.45 137.5 30.37 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.469 1.106 . . . . 64.219999999999999 109.343 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.895 HG22 HD21 ' A' ' 85' ' ' LEU . 44.5 pt -126.96 143.32 40.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.501 1.125 . . . . 74.549999999999997 109.318 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 16.8 ttmt -110.66 96.61 6.29 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.499 1.124 . . . . 73.319999999999993 109.323 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' TYR . . . . . 0.759 ' CE2' ' HB2' ' A' ' 69' ' ' ALA . 9.1 p90 -83.31 152.74 24.97 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.492 1.12 . . . . 74.310000000000002 110.939 -179.927 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 43.6 tt0 -80.41 152.15 28.98 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.491 1.12 . . . . 64.340000000000003 110.282 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 15.4 t0 -112.74 -176.78 2.98 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.494 1.121 . . . . 64.340000000000003 109.313 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . 0.493 ' CB ' ' OD1' ' A' ' 76' ' ' ASN . 14.4 pt-20 -74.68 -16.25 60.77 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.477 1.111 . . . . 64.430000000000007 110.299 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -91.42 16.84 9.41 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.477 1.111 . . . . 74.140000000000001 109.325 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 51.76 37.63 43.37 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.525 1.141 . . . . 44.25 111.013 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -128.95 129.12 45.02 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.539 0.788 . . . . 64.510000000000005 109.252 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 11.6 m-30 -64.26 139.74 58.8 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.498 1.124 . . . . 62.340000000000003 110.991 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.637 HG23 ' CE1' ' A' ' 50' ' ' TYR . 0.2 OUTLIER -139.31 139.39 39.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.545 1.153 . . . . 64.549999999999997 109.255 -179.976 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 57.2 t -62.67 152.72 7.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 O-C-N 124.456 1.097 . . . . 74.530000000000001 109.322 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 1.049 HD21 HD21 ' A' ' 29' ' ' LEU . 0.3 OUTLIER -140.44 118.57 11.96 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.514 1.133 . . . . 74.129999999999995 109.291 179.986 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . 0.81 ' N ' HD12 ' A' ' 60' ' ' LEU . . . -157.82 24.63 0.42 Allowed Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.505 1.128 . . . . 51.210000000000001 110.974 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . 0.451 ' C ' ' CB ' ' A' ' 26' ' ' PHE . 75.0 m -155.3 176.93 11.93 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.535 0.785 . . . . 52.329999999999998 109.983 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 5.9 t0 -83.39 -20.89 33.36 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.49 1.119 . . . . 71.25 109.349 179.938 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . 0.444 ' O ' ' CG ' ' A' ' 64' ' ' GLU . 11.9 tt0 -80.18 -8.41 59.42 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.462 1.101 . . . . 75.329999999999998 110.305 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 26.2 m-20 -110.26 -21.01 12.45 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.513 1.133 . . . . 74.129999999999995 109.309 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' TRP . . . . . 0.582 ' CE3' ' O ' ' A' ' 66' ' ' TRP . 3.7 t-105 -93.59 -23.56 18.26 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 107.977 -1.12 . . . . 74.129999999999995 107.977 -179.943 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 5.6 t30 -88.76 -49.14 7.02 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.509 1.131 . . . . 65.140000000000001 109.285 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . 0.409 ' CG2' ' O ' ' A' ' 64' ' ' GLU . 43.8 t -57.11 -27.58 27.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.502 1.126 . . . . 71.530000000000001 109.318 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . 0.759 ' HB2' ' CE2' ' A' ' 50' ' ' TYR . . . -77.37 -34.18 55.1 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.513 1.133 . . . . 51.229999999999997 109.306 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 2.4 mtmp? -70.53 -55.39 9.01 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.5 1.125 . . . . 50.210000000000001 109.303 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 18.0 pt-20 -51.82 -21.11 2.6 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.479 1.112 . . . . 74.109999999999999 110.299 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 2.0 tpt -83.76 -31.45 25.96 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.563 1.164 . . . . 53.0 111.032 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.563 HD21 HD23 ' A' ' 81' ' ' LEU . 3.9 mt -57.63 -46.31 84.33 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.533 1.146 . . . . 72.099999999999994 109.312 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -60.52 -15.86 31.45 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.459 1.099 . . . . 73.420000000000002 109.298 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 20.8 mt-10 -97.23 -28.35 14.12 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.483 1.115 . . . . 70.409999999999997 110.323 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 76' ' ' ASN . . . . . 0.493 ' OD1' ' CB ' ' A' ' 53' ' ' GLU . 80.2 m-20 -89.26 13.95 12.19 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.492 1.12 . . . . 70.319999999999993 109.292 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 25.1 m-80 40.46 32.08 0.13 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.511 1.132 . . . . 65.109999999999999 109.34 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . 0.447 ' OE1' ' CB ' ' A' ' 76' ' ' ASN . 8.8 pt-20 -114.58 145.82 41.51 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.518 1.136 . . . . 50.509999999999998 110.281 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 23.1 mmtm -111.47 15.2 21.33 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.507 1.129 . . . . 75.340000000000003 109.314 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 80' ' ' PHE . . . . . 0.419 ' CE2' ' HB2' ' A' ' 78' ' ' GLU . 29.0 p90 -127.42 -174.78 3.26 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.503 1.127 . . . . 71.439999999999998 110.994 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.842 HD13 ' N ' ' A' ' 82' ' ' ASN . 1.5 tm? -150.12 163.54 37.94 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.553 1.158 . . . . 64.409999999999997 109.257 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 82' ' ' ASN . . . . . 0.842 ' N ' HD13 ' A' ' 81' ' ' LEU . 1.0 OUTLIER -131.99 121.08 23.35 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.474 1.109 . . . . 73.129999999999995 109.281 -179.965 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . 0.433 HG22 ' N ' ' A' ' 84' ' ' ARG . 18.0 mm -113.34 162.07 11.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.445 1.09 . . . . 71.430000000000007 109.333 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 84' ' ' ARG . . . . . 0.477 ' O ' HD23 ' A' ' 85' ' ' LEU . 15.0 ttt180 -126.94 137.28 53.1 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.563 1.164 . . . . 72.540000000000006 110.272 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.917 HD22 HG12 ' A' ' 45' ' ' ILE . 35.8 mt -137.81 96.9 3.31 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.47 1.106 . . . . 63.340000000000003 109.256 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 4.7 t80 . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.126 . . . . 75.439999999999998 111.009 179.985 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . 0.437 ' HB2' HD11 ' A' ' 19' ' ' LEU . 0.6 OUTLIER . . . . . 0 N--CA 1.453 -0.312 0 N-CA-C 110.014 -0.365 . . . . 71.140000000000001 110.014 . . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 17.7 mt -132.77 140.52 47.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.523 1.14 . . . . 72.239999999999995 109.284 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.852 HD13 ' N ' ' A' ' 7' ' ' PHE . 3.4 tm? -95.04 148.16 22.64 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.476 1.11 . . . . 73.299999999999997 109.341 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . 0.852 ' N ' HD13 ' A' ' 6' ' ' LEU . 4.3 m-85 -133.71 116.85 16.27 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.472 1.108 . . . . 73.540000000000006 111.004 -179.956 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . 0.601 ' CG ' ' CG2' ' A' ' 15' ' ' ILE . 2.2 tpp85 -86.14 119.32 26.3 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.513 1.133 . . . . 75.310000000000002 110.301 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.509 HG23 HD13 ' A' ' 85' ' ' LEU . 4.2 mp -107.38 118.66 55.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.497 1.123 . . . . 42.329999999999998 109.287 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 3.5 t . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.547 1.154 . . . . 73.420000000000002 109.989 -179.984 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.601 ' CG2' ' CG ' ' A' ' 8' ' ' ARG . 2.4 mm . . . . . 0 N--CA 1.453 -0.302 0 N-CA-C 109.286 -0.635 . . . . 62.340000000000003 109.286 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 2.3 t80 -118.76 178.91 4.3 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.504 1.127 . . . . 45.25 110.987 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 2.0 p -136.06 140.14 43.57 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.438 1.086 . . . . 63.509999999999998 110.411 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.727 HD23 ' CE ' ' A' ' 36' ' ' LYS . 1.5 tm? -148.65 108.24 3.99 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.48 1.112 . . . . 72.439999999999998 109.33 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.493 ' C ' ' CD1' ' A' ' 19' ' ' LEU . 0.2 OUTLIER -72.82 109.68 6.59 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.463 1.102 . . . . 74.129999999999995 109.287 -179.976 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.736 HG11 ' CD1' ' A' ' 7' ' ' PHE . 4.6 p -112.67 120.51 62.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.533 1.145 . . . . 73.319999999999993 109.285 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 0.564 ' HB2' ' CD1' ' A' ' 24' ' ' TRP . 4.3 mm-40 -67.36 170.11 7.85 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.509 1.131 . . . . 75.310000000000002 110.275 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 4.7 mtpt -91.16 14.68 13.55 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.55 1.156 . . . . 75.430000000000007 109.318 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.471 ' CG2' ' O ' ' A' ' 23' ' ' VAL . 0.3 OUTLIER -121.49 -1.16 7.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.57 1.169 . . . . 73.510000000000005 109.265 -179.982 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' TRP . . . . . 0.564 ' CD1' ' HB2' ' A' ' 21' ' ' GLU . 27.7 m0 -81.98 118.26 22.84 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 107.976 -1.12 . . . . 65.150000000000006 107.976 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . 0.423 ' OD1' ' N ' ' A' ' 25' ' ' ASN . 10.0 p-10 -70.98 -176.06 1.28 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.52 1.137 . . . . 72.430000000000007 109.304 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . 0.513 ' CG ' ' N ' ' A' ' 27' ' ' ASP . 7.5 p90 -64.75 -40.1 94.73 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.555 1.159 . . . . 73.540000000000006 111.016 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . 0.513 ' N ' ' CG ' ' A' ' 26' ' ' PHE . 21.5 t0 -60.56 -42.3 96.35 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.505 1.128 . . . . 64.420000000000002 109.264 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . 0.557 ' O ' ' HB2' ' A' ' 32' ' ' ALA . 70.6 m-20 -73.12 -31.32 64.23 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.503 1.127 . . . . 70.140000000000001 109.326 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.968 ' CD2' HD21 ' A' ' 60' ' ' LEU . 10.9 tp -64.24 -49.17 72.96 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.126 . . . . 71.439999999999998 109.327 179.945 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . 0.552 HD13 HG12 ' A' ' 48' ' ' ILE . 13.6 mm -64.46 -45.02 96.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.465 1.103 . . . . 62.119999999999997 109.318 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 31.1 mmt -71.14 -21.46 62.19 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.514 1.134 . . . . 74.239999999999995 110.955 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . 0.557 ' HB2' ' O ' ' A' ' 28' ' ' ASP . . . -68.31 -45.02 74.14 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.522 1.139 . . . . 54.229999999999997 109.309 -179.949 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.465 HD12 ' O ' ' A' ' 29' ' ' LEU . 3.9 mp -79.71 -46.72 22.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.513 1.133 . . . . 54.439999999999998 109.301 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . 0.51 HD21 HD12 ' A' ' 45' ' ' ILE . 1.4 m-80 -54.52 -22.49 13.14 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.473 1.108 . . . . 65.439999999999998 109.288 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 1.5 t -80.25 -42.52 23.04 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.443 1.09 . . . . 53.130000000000003 109.976 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . 0.727 ' CE ' HD23 ' A' ' 18' ' ' LEU . 1.0 OUTLIER -65.75 -41.97 91.48 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.482 1.114 . . . . 70.329999999999998 109.285 -179.999 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . 0.465 HG23 ' O ' ' A' ' 33' ' ' ILE . 1.9 pt -76.51 -16.12 14.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.469 1.106 . . . . 75.409999999999997 109.316 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 3.2 t . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.473 1.108 . . . . 75.209999999999994 109.985 -179.989 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 N--CA 1.454 -0.84 0 N-CA-C 110.984 -0.429 . . . . 73.129999999999995 110.984 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . 0.51 HD12 HD21 ' A' ' 34' ' ' ASN . 1.3 pp -115.47 157.95 16.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.473 1.108 . . . . 75.129999999999995 109.27 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 4.1 p -114.86 -7.65 12.6 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.461 1.101 . . . . 72.299999999999997 110.413 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 7.2 ptmm? -139.66 109.44 6.32 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.505 1.128 . . . . 64.099999999999994 109.312 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.552 HG12 HD13 ' A' ' 30' ' ' ILE . 5.0 pt -99.15 141.39 16.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.524 1.14 . . . . 75.150000000000006 109.331 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . 0.681 ' HD3' HG22 ' A' ' 59' ' ' VAL . 1.3 tppp? -103.04 120.93 41.56 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.471 1.107 . . . . 75.25 109.313 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' TYR . . . . . 0.588 ' HB2' HD21 ' A' ' 81' ' ' LEU . 7.9 p90 -112.13 146.72 37.54 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.556 1.16 . . . . 75.109999999999999 111.037 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . 0.406 ' NE2' ' HA2' ' A' ' 55' ' ' GLY . 51.0 tt0 -73.4 156.1 38.66 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.454 1.096 . . . . 63.140000000000001 110.274 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 12.4 t0 -113.11 -173.21 2.21 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.522 1.139 . . . . 54.020000000000003 109.282 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . 0.415 ' HG2' ' CG ' ' A' ' 72' ' ' MET . 2.7 pp20? -77.71 -5.94 52.27 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.544 1.153 . . . . 53.030000000000001 110.277 -179.945 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 24.5 t70 -96.61 -1.11 47.52 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.506 1.129 . . . . 73.510000000000005 109.258 -179.95 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . 0.406 ' HA2' ' NE2' ' A' ' 51' ' ' GLN . . . 78.27 0.52 77.96 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.493 1.121 . . . . 35.200000000000003 111.015 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 6.8 t0 -84.65 -175.41 5.77 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.472 0.748 . . . . 70.349999999999994 109.317 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 3.1 p90 -115.05 130.5 56.95 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.496 1.123 . . . . 75.319999999999993 111.004 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.462 ' O ' ' CD1' ' A' ' 50' ' ' TYR . 0.0 OUTLIER -132.79 131.32 59.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.49 1.119 . . . . 73.219999999999999 109.325 -179.981 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 0.681 HG22 ' HD3' ' A' ' 49' ' ' LYS . 76.4 t -59.2 165.03 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.476 1.11 . . . . 74.519999999999996 109.309 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.968 HD21 ' CD2' ' A' ' 29' ' ' LEU . 3.2 tp -152.91 120.67 6.06 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.545 1.153 . . . . 74.340000000000003 109.287 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . 0.556 ' N ' HD12 ' A' ' 60' ' ' LEU . . . -161.84 26.99 0.26 Allowed Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.509 1.131 . . . . 53.219999999999999 111.002 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 9.3 m -160.63 162.71 32.82 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.495 0.762 . . . . 75.329999999999998 109.991 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -71.09 -29.6 65.5 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.504 1.128 . . . . 71.530000000000001 109.262 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . 0.492 ' O ' ' CG2' ' A' ' 68' ' ' VAL . 3.2 tt0 -71.07 -8.13 51.29 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.493 1.121 . . . . 75.340000000000003 110.245 -179.918 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . 0.4 ' HB3' HD13 ' A' ' 60' ' ' LEU . 10.8 t0 -110.27 -23.76 11.05 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.508 1.13 . . . . 71.209999999999994 109.301 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' TRP . . . . . 0.599 ' CE3' ' O ' ' A' ' 66' ' ' TRP . 3.6 t-105 -91.09 -21.29 21.29 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.544 1.152 . . . . 72.120000000000005 108.029 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 81.2 m-20 -95.36 -25.59 16.23 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.552 1.157 . . . . 71.450000000000003 109.288 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . 0.492 ' CG2' ' O ' ' A' ' 64' ' ' GLU . 3.6 t -79.73 -14.91 13.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.487 1.117 . . . . 74.219999999999999 109.27 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . 0.462 ' HB2' ' CE2' ' A' ' 50' ' ' TYR . . . -93.09 -45.05 8.08 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.482 1.114 . . . . 60.240000000000002 109.337 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . 0.569 ' HD3' ' CH2' ' A' ' 66' ' ' TRP . 3.1 mtmp? -52.44 -54.87 26.58 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.495 1.122 . . . . 72.129999999999995 109.317 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 33.0 mt-10 -45.73 -32.74 2.63 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.541 1.151 . . . . 55.340000000000003 110.293 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 72' ' ' MET . . . . . 0.415 ' CG ' ' HG2' ' A' ' 53' ' ' GLU . 20.3 tpp -72.18 -41.27 67.18 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.514 1.134 . . . . 63.43 110.973 -179.947 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.486 HD11 HD12 ' A' ' 81' ' ' LEU . 4.8 mt -52.73 -44.08 66.16 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.518 1.136 . . . . 73.400000000000006 109.303 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -57.58 -33.46 68.19 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.573 1.17 . . . . 44.520000000000003 109.337 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 76.3 mt-10 -82.16 -24.06 35.23 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.479 1.112 . . . . 73.219999999999999 110.323 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 76' ' ' ASN . . . . . 0.646 ' N ' HD22 ' A' ' 76' ' ' ASN . 1.0 OUTLIER -89.31 -16.04 32.04 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.547 1.155 . . . . 75.150000000000006 109.322 179.948 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 77' ' ' ASN . . . . . 0.446 ' N ' ' O ' ' A' ' 73' ' ' LEU . 6.2 m-80 60.69 46.12 9.49 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.473 1.108 . . . . 61.240000000000002 109.287 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . 0.41 ' CD ' HD22 ' A' ' 73' ' ' LEU . 10.7 pt-20 -125.05 154.77 40.82 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.517 1.136 . . . . 61.439999999999998 110.301 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 59.4 mmtt -119.97 29.92 7.29 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.517 1.136 . . . . 74.329999999999998 109.326 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 7.7 p90 -144.95 170.66 15.72 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.459 1.099 . . . . 71.030000000000001 110.977 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.709 HD13 ' CZ ' ' A' ' 7' ' ' PHE . 2.0 tt -150.06 158.73 44.46 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.484 1.115 . . . . 64.120000000000005 109.315 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 82' ' ' ASN . . . . . 0.603 ' O ' HD23 ' A' ' 81' ' ' LEU . 1.2 t30 -115.03 148.87 38.3 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.547 1.154 . . . . 72.109999999999999 109.275 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . 0.52 HG22 ' N ' ' A' ' 84' ' ' ARG . 15.5 mm -137.44 167.31 23.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.494 1.121 . . . . 53.32 109.279 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 84' ' ' ARG . . . . . 0.755 ' O ' HD12 ' A' ' 85' ' ' LEU . 15.8 ttt180 -145.04 126.58 15.06 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.518 1.136 . . . . 72.510000000000005 110.285 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.755 HD12 ' O ' ' A' ' 84' ' ' ARG . 10.8 mp -133.31 139.68 47.01 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.511 1.132 . . . . 72.530000000000001 109.336 179.934 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 17.5 t80 . . . . . 0 C--N 1.326 -0.45 0 O-C-N 124.478 1.112 . . . . 61.109999999999999 111.028 179.998 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . 0.648 ' HB2' HD11 ' A' ' 19' ' ' LEU . 26.1 m . . . . . 0 N--CA 1.453 -0.311 0 N-CA-C 109.977 -0.379 . . . . 52.539999999999999 109.977 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . 0.525 HD13 HD12 ' A' ' 73' ' ' LEU . 29.4 mt -126.19 144.75 35.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.532 1.145 . . . . 73.129999999999995 109.246 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -88.73 142.25 27.83 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.469 1.106 . . . . 74.450000000000003 109.279 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . 0.892 ' CE1' HD23 ' A' ' 81' ' ' LEU . 1.0 OUTLIER -122.61 108.51 13.19 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.473 1.108 . . . . 73.239999999999995 111.023 179.995 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . 0.6 ' CZ ' ' CE1' ' A' ' 80' ' ' PHE . 91.9 mtt180 -86.11 112.94 21.76 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.442 1.089 . . . . 72.209999999999994 110.303 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.808 ' CG2' HD22 ' A' ' 85' ' ' LEU . 3.9 mp -98.67 101.66 12.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.49 1.119 . . . . 74.349999999999994 109.332 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . 0.568 ' CB ' HD13 ' A' ' 15' ' ' ILE . 1.4 p . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.513 1.133 . . . . 62.43 110.053 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.568 HD13 ' CB ' ' A' ' 10' ' ' SER . 3.2 mm . . . . . 0 N--CA 1.454 -0.265 0 N-CA-C 109.303 -0.628 . . . . 73.450000000000003 109.303 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 4.4 m-85 -102.46 174.69 5.79 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.509 1.13 . . . . 74.140000000000001 111.021 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 2.0 p -132.53 125.57 30.89 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.54 1.15 . . . . 74.019999999999996 110.381 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.866 HD23 ' HD2' ' A' ' 36' ' ' LYS . 0.8 OUTLIER -134.94 110.24 8.99 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.503 1.127 . . . . 72.439999999999998 109.289 -179.98 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.648 HD11 ' HB2' ' A' ' 4' ' ' SER . 0.1 OUTLIER -67.3 102.22 1.05 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.461 1.1 . . . . 72.329999999999998 109.322 179.984 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.756 HG23 ' HE3' ' A' ' 24' ' ' TRP . 6.3 p -106.22 112.24 38.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.445 1.09 . . . . 54.210000000000001 109.296 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 0.568 ' HB2' ' CD1' ' A' ' 24' ' ' TRP . 5.2 mm-40 -52.94 169.8 0.09 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.525 1.141 . . . . 70.519999999999996 110.266 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . 0.513 ' HZ2' ' C ' ' A' ' 4' ' ' SER . 0.7 OUTLIER -89.22 15.42 8.95 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.471 1.107 . . . . 52.509999999999998 109.294 -179.994 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.538 ' O ' HG22 ' A' ' 23' ' ' VAL . 0.8 OUTLIER -125.5 2.97 4.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.518 1.137 . . . . 73.409999999999997 109.259 -179.951 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' TRP . . . . . 0.756 ' HE3' HG23 ' A' ' 20' ' ' VAL . 33.0 m0 -86.33 87.55 7.45 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.529 1.143 . . . . 75.349999999999994 108.005 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . 0.432 ' HA ' ' CE2' ' A' ' 66' ' ' TRP . 15.2 p-10 -55.53 -178.92 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.505 1.128 . . . . 71.340000000000003 109.279 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 19.3 p90 -53.73 -31.23 47.5 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.467 1.104 . . . . 73.540000000000006 111.017 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 15.7 t0 -67.05 -64.51 0.84 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.536 1.147 . . . . 72.510000000000005 109.282 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . 0.778 ' O ' ' HB2' ' A' ' 32' ' ' ALA . 0.9 OUTLIER -58.14 -17.84 21.26 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.127 . . . . 73.430000000000007 109.321 179.992 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.774 ' C ' HD12 ' A' ' 29' ' ' LEU . 0.1 OUTLIER -75.94 -58.38 3.32 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.541 1.151 . . . . 73.140000000000001 109.296 179.943 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . 0.445 HD13 ' HA ' ' A' ' 30' ' ' ILE . 25.2 mm -58.21 -40.07 76.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.482 1.114 . . . . 75.109999999999999 109.304 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 25.5 mmm -75.64 -19.3 59.28 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.504 1.128 . . . . 52.049999999999997 111.014 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . 0.778 ' HB2' ' O ' ' A' ' 28' ' ' ASP . . . -73.93 -67.01 0.64 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.548 1.155 . . . . 61.43 109.265 -179.957 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.822 HD11 ' HD2' ' A' ' 7' ' ' PHE . 3.8 mp -58.36 -32.54 45.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.514 1.134 . . . . 72.319999999999993 109.3 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . 0.444 ' ND2' ' O ' ' A' ' 30' ' ' ILE . 0.7 OUTLIER -55.43 -20.36 12.09 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.501 1.126 . . . . 71.310000000000002 109.266 -179.965 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 8.6 t -92.7 -21.99 19.66 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.484 1.115 . . . . 34.039999999999999 110.024 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . 0.866 ' HD2' HD23 ' A' ' 18' ' ' LEU . 0.0 OUTLIER -77.19 -42.35 37.91 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.487 1.117 . . . . 75.450000000000003 109.288 -179.99 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . 0.47 HD11 ' CB ' ' A' ' 44' ' ' PRO . 13.4 pt -80.24 -16.0 12.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.52 1.138 . . . . 62.020000000000003 109.246 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 11.0 t . . . . . 0 C--N 1.324 -0.514 0 O-C-N 124.529 1.143 . . . . 71.340000000000003 109.985 -179.959 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . 0.47 ' CB ' HD11 ' A' ' 37' ' ' ILE . 18.2 Cg_endo . . . . . 0 N--CA 1.453 -0.9 0 N-CA-C 111.011 -0.419 . . . . 75.540000000000006 111.011 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 1.3 pp -132.95 168.1 25.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.483 1.115 . . . . 51.020000000000003 109.33 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 3.2 p -129.17 4.65 5.26 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.501 1.126 . . . . 74.349999999999994 110.393 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . 0.424 ' O ' HG23 ' A' ' 48' ' ' ILE . 0.0 OUTLIER -142.68 163.68 32.15 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.524 1.14 . . . . 74.239999999999995 109.287 -179.984 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.66 HD12 HD12 ' A' ' 83' ' ' ILE . 4.6 pt -150.9 163.15 3.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.515 1.134 . . . . 73.200000000000003 109.28 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . 0.428 ' HE3' HG23 ' A' ' 59' ' ' VAL . 23.8 tttt -122.81 91.88 3.59 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.502 1.126 . . . . 73.230000000000004 109.316 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' TYR . . . . . 0.598 ' CE2' ' HB1' ' A' ' 69' ' ' ALA . 6.5 p90 -81.59 151.24 27.77 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.451 1.094 . . . . 74.409999999999997 111.014 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . 0.404 ' O ' ' CD2' ' A' ' 50' ' ' TYR . 36.4 tt0 -75.97 153.7 36.39 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.524 1.14 . . . . 75.120000000000005 110.315 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . 0.452 ' OD1' ' N ' ' A' ' 54' ' ' ASP . 18.1 p30 -120.69 -173.13 2.52 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.516 1.135 . . . . 65.540000000000006 109.287 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 5.2 pt-20 -72.04 -23.87 61.45 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.544 1.152 . . . . 74.219999999999999 110.264 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . 0.452 ' N ' ' OD1' ' A' ' 52' ' ' ASP . 0.2 OUTLIER -80.09 1.45 27.87 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.518 1.136 . . . . 73.310000000000002 109.254 -179.969 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 64.13 20.49 64.99 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.505 1.128 . . . . 54.200000000000003 111.005 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 19.5 m-20 -115.31 124.64 51.82 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.56 0.8 . . . . 52.119999999999997 109.273 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 5.7 p90 -54.13 139.71 34.44 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.483 1.115 . . . . 72.209999999999994 110.964 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.566 HG23 ' CE1' ' A' ' 50' ' ' TYR . 0.1 OUTLIER -139.11 135.95 42.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.443 1.089 . . . . 72.430000000000007 109.307 179.982 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 0.428 HG23 ' HE3' ' A' ' 49' ' ' LYS . 68.2 t -58.12 159.95 1.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.469 1.106 . . . . 73.439999999999998 109.273 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.777 HD12 ' N ' ' A' ' 61' ' ' GLY . 0.3 OUTLIER -157.83 116.35 3.14 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.549 1.156 . . . . 71.109999999999999 109.315 179.99 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . 0.777 ' N ' HD12 ' A' ' 60' ' ' LEU . . . -155.22 25.84 0.61 Allowed Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.525 1.14 . . . . 50.420000000000002 111.019 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 3.5 p -149.69 167.62 25.91 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.462 0.742 . . . . 65.310000000000002 110.006 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 1.1 p-10 -74.86 -29.74 61.12 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.444 1.09 . . . . 74.120000000000005 109.282 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . 0.492 ' O ' ' CG2' ' A' ' 68' ' ' VAL . 8.7 tt0 -69.81 -17.79 63.42 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.518 1.136 . . . . 73.329999999999998 110.256 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . 0.41 ' HB3' HD13 ' A' ' 60' ' ' LEU . 16.0 t0 -109.36 -15.49 14.24 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.513 1.133 . . . . 73.349999999999994 109.319 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' TRP . . . . . 0.51 ' CZ2' ' HE2' ' A' ' 70' ' ' LYS . 0.0 OUTLIER -93.17 -22.01 19.31 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.568 1.168 . . . . 73.25 108.024 179.951 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 7.6 t30 -96.53 -36.27 10.82 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.519 1.137 . . . . 64.450000000000003 109.312 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . 0.492 ' CG2' ' O ' ' A' ' 64' ' ' GLU . 73.8 t -75.78 -16.79 15.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.593 1.183 . . . . 73.439999999999998 109.262 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . 0.598 ' HB1' ' CE2' ' A' ' 50' ' ' TYR . . . -89.16 -38.82 14.01 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.538 1.149 . . . . 71.510000000000005 109.339 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . 0.51 ' HE2' ' CZ2' ' A' ' 66' ' ' TRP . 4.9 mtmp? -70.37 -48.55 55.74 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.529 1.143 . . . . 72.510000000000005 109.357 179.932 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 9.6 pt-20 -55.82 -18.9 9.72 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.551 1.157 . . . . 64.349999999999994 110.289 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 72' ' ' MET . . . . . 0.405 ' HG2' ' ND2' ' A' ' 76' ' ' ASN . 14.9 ttm -81.63 -29.65 33.14 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.533 1.146 . . . . 74.430000000000007 110.964 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.525 HD12 HD13 ' A' ' 5' ' ' ILE . 12.2 mt -52.77 -52.38 56.84 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.121 . . . . 70.450000000000003 109.284 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -55.73 -19.43 10.99 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.457 1.098 . . . . 74.329999999999998 109.253 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -90.41 -29.29 18.1 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.52 1.137 . . . . 74.239999999999995 110.326 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 76' ' ' ASN . . . . . 0.591 ' N ' HD22 ' A' ' 76' ' ' ASN . 1.0 OUTLIER -84.95 -1.84 57.19 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.532 1.145 . . . . 73.109999999999999 109.272 179.969 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 2.3 m-80 60.66 20.73 10.68 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.481 1.113 . . . . 71.099999999999994 109.273 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . 0.425 ' OE1' ' CB ' ' A' ' 76' ' ' ASN . 11.1 pt-20 -105.89 148.37 27.68 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.512 1.133 . . . . 74.109999999999999 110.298 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 16.1 mtmt -110.67 19.31 18.78 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.514 1.134 . . . . 60.340000000000003 109.281 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 80' ' ' PHE . . . . . 0.6 ' CE1' ' CZ ' ' A' ' 8' ' ' ARG . 5.4 p90 -142.57 170.13 16.28 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.499 1.124 . . . . 72.010000000000005 110.999 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.94 HD12 ' N ' ' A' ' 82' ' ' ASN . 3.5 tp -136.88 140.91 42.68 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.511 1.132 . . . . 72.319999999999993 109.265 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 82' ' ' ASN . . . . . 0.94 ' N ' HD12 ' A' ' 81' ' ' LEU . 1.0 OUTLIER -114.17 119.88 38.6 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.512 1.132 . . . . 64.430000000000007 109.298 179.97 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . 0.66 HD12 HD12 ' A' ' 48' ' ' ILE . 33.5 mm -101.14 162.66 3.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.491 1.119 . . . . 63.520000000000003 109.288 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 84' ' ' ARG . . . . . 0.449 ' N ' HG22 ' A' ' 83' ' ' ILE . 3.4 tpp180 -136.09 120.52 18.08 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.491 1.119 . . . . 74.239999999999995 110.293 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.808 HD22 ' CG2' ' A' ' 9' ' ' ILE . 8.8 mp -101.93 147.72 26.2 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.464 1.103 . . . . 70.239999999999995 109.322 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 86' ' ' TYR . . . . . 0.571 ' C ' ' CD1' ' A' ' 86' ' ' TYR . 1.5 p90 . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.509 1.13 . . . . 51.210000000000001 110.986 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 N--CA 1.452 -0.916 0 N-CA-C 111.024 -0.414 . . . . 73.310000000000002 111.024 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 4.1 pp -75.09 149.89 38.99 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.527 1.142 . . . . 73.329999999999998 109.308 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -166.65 -66.7 0.03 OUTLIER Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.537 1.148 . . . . 42.439999999999998 110.964 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -136.61 167.59 21.11 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.521 0.777 . . . . 62.0 109.985 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.585 HD13 ' CD1' ' A' ' 73' ' ' LEU . 44.8 mt -133.5 148.24 30.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.53 1.144 . . . . 61.5 109.296 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.845 HD22 ' H ' ' A' ' 7' ' ' PHE . 1.0 OUTLIER -109.49 146.97 33.7 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.447 1.092 . . . . 72.109999999999999 109.284 -179.997 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . 0.845 ' H ' HD22 ' A' ' 6' ' ' LEU . 1.8 m-30 -120.39 122.78 41.5 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.541 1.151 . . . . 75.409999999999997 110.997 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 8.3 ttp180 -99.24 84.88 3.09 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.508 1.13 . . . . 72.230000000000004 110.325 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 1.038 HG23 HD22 ' A' ' 85' ' ' LEU . 3.2 mp -58.53 110.77 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.479 1.112 . . . . 64.420000000000002 109.245 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . 0.457 ' HA ' HD13 ' A' ' 15' ' ' ILE . 3.8 m -106.6 107.13 17.99 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.532 1.145 . . . . 64.209999999999994 110.003 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . 0.652 ' CE2' HD23 ' A' ' 85' ' ' LEU . 0.8 OUTLIER -96.19 -165.42 1.28 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.506 1.129 . . . . 74.019999999999996 110.998 179.984 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 58.2 t30 -59.3 -49.64 77.06 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.479 1.112 . . . . 72.140000000000001 109.324 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -144.68 18.59 1.66 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.54 1.15 . . . . 54.409999999999997 109.968 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . 0.575 ' O ' HD13 ' A' ' 15' ' ' ILE . 14.6 mm-40 -119.44 150.07 40.82 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.465 1.103 . . . . 72.310000000000002 110.274 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.575 HD13 ' O ' ' A' ' 14' ' ' GLU . 15.8 mm -140.97 132.01 28.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.459 1.099 . . . . 74.409999999999997 109.279 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . 0.702 ' HD2' HD13 ' A' ' 9' ' ' ILE . 57.9 t80 -147.38 154.69 41.19 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.477 1.111 . . . . 74.239999999999995 110.98 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.53 ' HB ' HD21 ' A' ' 6' ' ' LEU . 2.2 p -116.79 134.05 55.27 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.54 1.15 . . . . 53.420000000000002 110.336 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.717 HD23 ' C ' ' A' ' 18' ' ' LEU . 3.4 tt -134.42 127.84 32.36 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.482 1.114 . . . . 53.229999999999997 109.281 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.694 ' N ' HD23 ' A' ' 18' ' ' LEU . 0.8 OUTLIER -85.51 112.22 20.72 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.466 1.104 . . . . 65.439999999999998 109.321 179.974 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.525 ' N ' HD13 ' A' ' 19' ' ' LEU . 6.9 p -113.25 122.08 66.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.539 1.149 . . . . 62.350000000000001 109.275 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.567 ' HB2' ' CD1' ' A' ' 24' ' ' TRP . 18.9 mm-40 -63.78 167.46 5.96 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.503 1.127 . . . . 53.210000000000001 110.33 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . 0.424 ' HE2' HD11 ' A' ' 5' ' ' ILE . 1.3 mtpm? -93.09 18.55 9.12 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.471 1.107 . . . . 74.430000000000007 109.277 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.501 ' O ' HG22 ' A' ' 23' ' ' VAL . 0.4 OUTLIER -124.2 1.73 5.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 O-C-N 124.504 1.128 . . . . 73.140000000000001 109.297 -179.984 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' TRP . . . . . 0.567 ' CD1' ' HB2' ' A' ' 21' ' ' GLU . 21.1 m0 -93.63 94.81 8.81 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.575 1.172 . . . . 75.019999999999996 108.027 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . 0.529 ' ND2' ' N ' ' A' ' 25' ' ' ASN . 0.1 OUTLIER -50.77 -178.89 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.51 1.131 . . . . 54.140000000000001 109.281 -179.995 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 21.5 p90 -57.48 -28.49 63.45 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.535 1.147 . . . . 74.420000000000002 110.989 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -66.03 -72.89 0.14 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.488 1.118 . . . . 74.450000000000003 109.285 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . 0.479 ' H ' ' ND2' ' A' ' 25' ' ' ASN . 74.7 m-20 -51.41 -32.48 26.48 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.537 1.148 . . . . 74.319999999999993 109.316 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.615 HD12 ' CD1' ' A' ' 33' ' ' ILE . 1.2 tp -60.71 -61.74 2.37 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.492 1.12 . . . . 64.519999999999996 109.276 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 29.0 mm -54.71 -34.37 29.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.518 1.136 . . . . 70.409999999999997 109.293 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 2.9 mmt -76.02 -25.05 55.33 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.476 1.11 . . . . 52.229999999999997 111.0 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . 0.42 ' N ' ' O ' ' A' ' 28' ' ' ASP . . . -68.55 -48.27 64.71 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.513 1.133 . . . . 74.109999999999999 109.302 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.663 ' O ' HG23 ' A' ' 37' ' ' ILE . 4.0 mp -73.17 -38.6 55.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.47 1.106 . . . . 75.010000000000005 109.291 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . 0.474 HD21 HD12 ' A' ' 45' ' ' ILE . 1.4 m-80 -66.02 -15.75 63.31 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.462 1.101 . . . . 74.239999999999995 109.318 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 3.7 m -86.3 -47.55 9.29 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.541 1.151 . . . . 71.439999999999998 109.981 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 0.488 ' HB3' ' CE2' ' A' ' 16' ' ' PHE . 0.0 OUTLIER -65.52 -47.16 76.88 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.501 1.126 . . . . 73.329999999999998 109.287 -179.993 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.663 HG23 ' O ' ' A' ' 33' ' ' ILE . 1.4 pt -72.49 -9.88 13.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.463 1.102 . . . . 65.439999999999998 109.265 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . 0.406 ' O ' ' N ' ' A' ' 41' ' ' HIS . 3.0 t -56.9 -17.6 10.12 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.509 1.13 . . . . 72.319999999999993 110.024 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . 0.404 ' C ' ' O ' ' A' ' 38' ' ' SER . 30.2 t30 -40.23 -48.57 2.61 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.507 1.13 . . . . 54.420000000000002 109.344 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . 0.935 ' O ' HG23 ' A' ' 42' ' ' ILE . 6.0 t -69.93 -40.47 75.51 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.503 1.127 . . . . 63.32 110.354 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' HIS . . . . . 0.442 ' ND1' ' O ' ' A' ' 40' ' ' THR . 10.1 p80 46.84 38.85 6.5 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.493 1.12 . . . . 70.340000000000003 109.582 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.935 HG23 ' O ' ' A' ' 40' ' ' THR . 1.6 pp -119.35 -40.75 2.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.507 1.129 . . . . 60.229999999999997 109.308 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . 0.621 ' HB3' HD12 ' A' ' 42' ' ' ILE . 4.9 p -170.17 97.4 0.46 Allowed Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.509 1.131 . . . . 75.099999999999994 109.977 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 -162.23 0.14 Allowed 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.507 1.793 . . . . 73.319999999999993 111.029 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . 0.515 HD12 ' O ' ' A' ' 45' ' ' ILE . 1.5 pp -126.46 151.47 33.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.481 1.113 . . . . 64.420000000000002 109.285 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 15.8 p -120.34 -1.42 10.22 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.513 1.133 . . . . 45.299999999999997 110.397 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 3.0 mtpm? -133.02 126.1 31.17 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.53 1.144 . . . . 75.409999999999997 109.32 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.453 ' HB ' ' CG2' ' A' ' 83' ' ' ILE . 36.1 pt -125.9 129.28 72.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.449 1.093 . . . . 51.109999999999999 109.34 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . 0.451 ' HZ3' ' N ' ' A' ' 59' ' ' VAL . 7.6 tttm -103.28 108.84 20.22 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.443 1.089 . . . . 53.109999999999999 109.345 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' TYR . . . . . 0.695 ' HB2' HD11 ' A' ' 81' ' ' LEU . 7.9 p90 -98.85 149.29 23.06 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.514 1.134 . . . . 62.140000000000001 110.989 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . 0.429 ' O ' ' CD2' ' A' ' 50' ' ' TYR . 44.8 tt0 -76.13 159.48 30.68 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.465 1.103 . . . . 72.140000000000001 110.314 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . 0.643 ' OD2' HG21 ' A' ' 58' ' ' VAL . 22.1 m-20 -121.89 173.12 7.7 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.499 1.124 . . . . 64.430000000000007 109.322 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . 0.492 ' CB ' ' OD1' ' A' ' 76' ' ' ASN . 2.2 pp20? -56.57 -49.44 74.85 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.566 1.166 . . . . 54.450000000000003 110.342 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . 0.439 ' N ' ' CD ' ' A' ' 53' ' ' GLU . 26.8 t70 -52.65 -21.67 4.24 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.486 1.116 . . . . 64.319999999999993 109.279 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 94.52 8.28 59.81 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.462 1.101 . . . . 64.340000000000003 111.027 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -100.75 134.99 42.91 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.53 0.782 . . . . 71.409999999999997 109.28 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . 0.403 ' CD1' ' O ' ' A' ' 57' ' ' PHE . 9.7 p90 -68.81 142.5 54.86 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.508 1.13 . . . . 74.099999999999994 110.976 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.643 HG21 ' OD2' ' A' ' 52' ' ' ASP . 0.0 OUTLIER -139.58 142.65 32.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.547 1.154 . . . . 74.140000000000001 109.302 -179.975 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.451 ' N ' ' HZ3' ' A' ' 49' ' ' LYS . 4.4 t -63.75 150.77 9.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.465 1.103 . . . . 72.25 109.315 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.435 HD11 ' HB2' ' A' ' 66' ' ' TRP . 1.3 tp -145.41 114.1 6.81 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.498 1.124 . . . . 71.209999999999994 109.331 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . 0.424 ' N ' HD12 ' A' ' 60' ' ' LEU . . . -151.76 20.73 0.9 Allowed Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.46 1.1 . . . . 73.200000000000003 111.042 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 87.6 p -151.06 173.39 14.4 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.532 0.784 . . . . 63.229999999999997 109.975 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 22.0 t0 -78.36 -30.61 48.1 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.527 1.142 . . . . 62.219999999999999 109.279 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . 0.491 ' O ' ' CG2' ' A' ' 68' ' ' VAL . 2.7 tt0 -69.4 -13.54 62.42 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.479 1.112 . . . . 75.0 110.309 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -111.7 -15.95 13.32 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.493 1.121 . . . . 62.310000000000002 109.305 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' TRP . . . . . 0.578 ' CE3' ' O ' ' A' ' 66' ' ' TRP . 3.8 t-105 -92.41 -24.04 18.99 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.532 1.145 . . . . 71.239999999999995 107.984 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 75.4 m-20 -94.47 -49.69 5.56 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.511 1.132 . . . . 61.329999999999998 109.301 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.491 ' CG2' ' O ' ' A' ' 64' ' ' GLU . 12.4 t -50.08 -24.01 1.79 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.501 1.126 . . . . 74.019999999999996 109.28 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . 0.592 ' HB2' ' CE2' ' A' ' 50' ' ' TYR . . . -87.57 -41.83 13.17 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.452 1.095 . . . . 53.439999999999998 109.32 -179.948 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . 0.823 ' HA ' HD12 ' A' ' 73' ' ' LEU . 4.7 mtmp? -54.53 -55.72 26.26 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.485 1.116 . . . . 64.549999999999997 109.288 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 18.5 mt-10 -52.29 -20.91 2.99 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.526 1.141 . . . . 74.420000000000002 110.306 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' MET . . . . . 0.418 ' O ' ' N ' ' A' ' 75' ' ' GLU . 17.8 ttm -81.52 -36.4 29.23 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.583 1.177 . . . . 75.420000000000002 111.01 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.823 HD12 ' HA ' ' A' ' 70' ' ' LYS . 17.4 mt -47.13 -46.09 22.87 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.546 1.154 . . . . 72.129999999999995 109.316 -179.947 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -59.59 -35.33 74.09 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.509 1.131 . . . . 64.219999999999999 109.276 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . 0.418 ' N ' ' O ' ' A' ' 72' ' ' MET . 10.2 mm-40 -78.98 -23.31 44.54 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.528 1.143 . . . . 74.129999999999995 110.283 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' ASN . . . . . 0.492 ' OD1' ' CB ' ' A' ' 53' ' ' GLU . 72.4 m-20 -91.9 -15.08 28.59 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.53 1.144 . . . . 51.450000000000003 109.28 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . 0.442 ' N ' ' O ' ' A' ' 73' ' ' LEU . 44.9 m-80 61.6 38.17 15.64 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.488 1.118 . . . . 75.439999999999998 109.292 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . 0.555 ' HB2' ' CZ ' ' A' ' 80' ' ' PHE . 4.7 pt-20 -126.27 121.42 32.6 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.472 1.107 . . . . 74.239999999999995 110.288 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -85.18 3.8 37.48 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.463 1.102 . . . . 74.329999999999998 109.286 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' PHE . . . . . 0.555 ' CZ ' ' HB2' ' A' ' 78' ' ' GLU . 5.1 p90 -115.46 -179.83 3.76 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.537 1.148 . . . . 64.010000000000005 111.013 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.905 HD13 ' N ' ' A' ' 82' ' ' ASN . 2.1 tm? -152.93 160.05 43.01 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.481 1.113 . . . . 64.310000000000002 109.275 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' ASN . . . . . 0.905 ' N ' HD13 ' A' ' 81' ' ' LEU . 1.1 t30 -126.76 127.25 44.76 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.519 1.137 . . . . 71.109999999999999 109.32 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . 0.453 ' CG2' ' HB ' ' A' ' 48' ' ' ILE . 45.7 mm -120.02 148.1 23.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.457 1.098 . . . . 65.510000000000005 109.322 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . 0.735 ' O ' HD12 ' A' ' 85' ' ' LEU . 10.2 tpt180 -108.58 134.18 51.69 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.467 1.104 . . . . 63.130000000000003 110.288 -179.939 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 1.038 HD22 HG23 ' A' ' 9' ' ' ILE . 6.7 mp -127.1 107.61 10.19 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.51 1.131 . . . . 75.230000000000004 109.309 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 39.6 p90 . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.541 1.15 . . . . 74.230000000000004 110.994 -179.957 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 N--CA 1.453 -0.894 0 N-CA-C 111.018 -0.416 . . . . 64.209999999999994 111.018 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 10.6 mt -93.58 -74.73 0.52 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.472 1.107 . . . . 64.349999999999994 109.301 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 43.53 42.86 6.05 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.543 1.152 . . . . 72.329999999999998 110.989 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . 0.732 ' CB ' HD11 ' A' ' 19' ' ' LEU . 0.7 OUTLIER -170.94 -173.53 1.34 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.524 0.779 . . . . 72.319999999999993 110.025 -179.999 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.51 HD13 HD22 ' A' ' 73' ' ' LEU . 56.7 mt -135.01 150.82 30.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.505 1.128 . . . . 72.450000000000003 109.3 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.981 HD13 ' N ' ' A' ' 7' ' ' PHE . 3.0 tm? -99.75 148.92 23.87 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.518 1.136 . . . . 72.340000000000003 109.294 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . 0.981 ' N ' HD13 ' A' ' 6' ' ' LEU . 1.9 m-85 -124.09 126.55 46.41 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.492 1.12 . . . . 74.310000000000002 110.993 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 1.2 mpt_? -95.59 85.12 4.09 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.47 1.107 . . . . 72.200000000000003 110.315 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.886 HG23 HD23 ' A' ' 85' ' ' LEU . 5.2 mp -77.18 115.67 19.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.506 1.129 . . . . 74.329999999999998 109.323 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . 0.411 ' O ' ' N ' ' A' ' 85' ' ' LEU . 2.6 p -94.68 133.71 38.05 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.522 1.139 . . . . 71.230000000000004 109.997 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 2.0 t80 -160.82 129.97 4.79 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.472 1.107 . . . . 71.319999999999993 110.956 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . 0.564 ' O ' ' CB ' ' A' ' 13' ' ' SER . 27.0 t30 65.27 11.38 7.22 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.511 1.132 . . . . 74.299999999999997 109.285 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . 0.564 ' CB ' ' O ' ' A' ' 12' ' ' ASN . 1.0 OUTLIER 89.9 14.99 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.505 1.128 . . . . 71.129999999999995 109.962 179.978 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 4.3 mt-10 -116.7 133.53 55.9 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.474 1.109 . . . . 74.230000000000004 110.31 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 3.4 mm -87.56 132.87 31.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.507 1.129 . . . . 62.420000000000002 109.274 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 90.7 m-85 -123.17 141.28 52.14 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.519 1.137 . . . . 74.099999999999994 110.986 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.521 HG22 HD11 ' A' ' 6' ' ' LEU . 2.4 p -98.16 142.21 30.13 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.484 1.115 . . . . 64.140000000000001 110.348 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.693 HD11 ' HB1' ' A' ' 32' ' ' ALA . 2.3 tm? -153.86 111.79 3.54 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.565 1.166 . . . . 72.099999999999994 109.267 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.732 HD11 ' CB ' ' A' ' 4' ' ' SER . 0.2 OUTLIER -61.66 118.14 6.7 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.529 1.143 . . . . 73.349999999999994 109.301 179.992 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.897 HG21 ' CG ' ' A' ' 7' ' ' PHE . 2.3 t -114.32 100.59 10.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.479 1.112 . . . . 73.409999999999997 109.305 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.555 ' HB2' ' CD1' ' A' ' 24' ' ' TRP . 63.1 mt-10 -54.75 163.04 1.03 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.469 1.106 . . . . 53.340000000000003 110.259 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 23.0 mttt -90.26 15.64 10.07 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.538 1.149 . . . . 61.219999999999999 109.29 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.457 HG12 ' HB3' ' A' ' 21' ' ' GLU . 0.2 OUTLIER -116.43 -38.63 2.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.126 . . . . 62.450000000000003 109.28 -179.987 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' TRP . . . . . 0.555 ' CZ3' ' O ' ' A' ' 19' ' ' LEU . 33.9 m0 -45.77 153.94 0.25 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.502 1.126 . . . . 74.140000000000001 108.011 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 20.7 p-10 -113.37 -174.95 2.56 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.548 1.155 . . . . 61.25 109.292 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 5.3 p90 -55.95 -29.06 59.59 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.522 1.139 . . . . 73.310000000000002 110.96 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 3.9 t70 -74.85 -73.87 0.22 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.495 1.122 . . . . 70.019999999999996 109.307 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . 0.44 ' O ' ' N ' ' A' ' 32' ' ' ALA . 49.7 m-20 -42.0 -37.24 1.31 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.525 1.14 . . . . 61.32 109.334 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.708 HD12 HD13 ' A' ' 33' ' ' ILE . 3.2 tp -54.67 -56.69 16.51 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.472 1.107 . . . . 62.399999999999999 109.269 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 32.1 mm -57.03 -49.51 79.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.469 1.106 . . . . 64.319999999999993 109.297 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 39.5 mtp -62.85 -22.6 66.8 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.476 1.11 . . . . 75.129999999999995 110.973 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . 0.693 ' HB1' HD11 ' A' ' 18' ' ' LEU . . . -73.4 -52.3 14.24 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.443 1.09 . . . . 54.350000000000001 109.316 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.708 HD13 HD12 ' A' ' 29' ' ' LEU . 2.2 mp -67.67 -33.34 61.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.536 1.147 . . . . 73.109999999999999 109.292 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -59.69 -16.41 26.52 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.478 1.111 . . . . 75.030000000000001 109.293 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 8.2 t -83.68 -32.13 25.75 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.533 1.145 . . . . 70.209999999999994 109.978 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 0.623 ' CE ' HD23 ' A' ' 18' ' ' LEU . 0.6 OUTLIER -82.11 -38.1 25.31 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.501 1.125 . . . . 74.430000000000007 109.314 -179.957 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.714 HD13 HG23 ' A' ' 45' ' ' ILE . 3.6 pt -87.29 10.75 1.56 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.503 1.127 . . . . 73.129999999999995 109.318 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -78.52 52.89 1.22 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.498 1.124 . . . . 52.25 109.986 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . 0.434 ' CG ' ' N ' ' A' ' 40' ' ' THR . 2.6 p-10 -120.46 -42.41 2.55 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.45 1.094 . . . . 72.409999999999997 109.301 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . 0.434 ' N ' ' CG ' ' A' ' 39' ' ' ASN . 60.7 p -73.14 160.2 32.35 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.488 1.118 . . . . 72.400000000000006 110.414 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 5.3 m80 -128.38 35.24 4.43 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.495 1.122 . . . . 74.439999999999998 109.564 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.502 ' O ' ' CB ' ' A' ' 43' ' ' SER . 3.3 pt -113.1 -34.85 2.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.528 1.143 . . . . 73.040000000000006 109.326 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . 0.502 ' CB ' ' O ' ' A' ' 42' ' ' ILE . 1.4 t 159.61 142.03 0.01 OUTLIER Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.478 1.111 . . . . 72.219999999999999 110.028 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 -161.96 0.14 Allowed 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.52 1.8 . . . . 74.109999999999999 111.004 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . 0.714 HG23 HD13 ' A' ' 37' ' ' ILE . 40.6 pt -102.19 123.53 55.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.558 1.161 . . . . 74.030000000000001 109.296 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -100.37 4.81 44.19 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.527 1.142 . . . . 75.129999999999995 110.418 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 10.4 ptmm? -163.97 133.82 4.09 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.533 1.145 . . . . 71.109999999999999 109.31 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.69 HG22 HD12 ' A' ' 45' ' ' ILE . 42.9 pt -121.87 133.8 67.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.461 1.101 . . . . 73.549999999999997 109.299 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 8.3 ttmm -103.24 103.49 13.53 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.487 1.117 . . . . 73.209999999999994 109.306 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' TYR . . . . . 0.644 ' HA ' HD13 ' A' ' 83' ' ' ILE . 6.5 p90 -95.48 145.85 24.87 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.476 1.11 . . . . 73.219999999999999 110.983 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . 0.453 ' O ' ' CD2' ' A' ' 50' ' ' TYR . 48.7 tt0 -72.98 163.51 28.06 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.547 1.154 . . . . 75.5 110.267 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . 0.426 ' N ' ' CG ' ' A' ' 51' ' ' GLN . 3.8 t70 -118.28 -174.95 2.77 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.501 1.125 . . . . 72.329999999999998 109.278 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 23.1 pt-20 -73.55 -37.28 65.61 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.545 1.153 . . . . 72.120000000000005 110.295 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 17.6 t70 -68.48 -15.56 63.59 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.516 1.135 . . . . 62.219999999999999 109.305 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 91.79 15.72 53.76 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.485 1.116 . . . . 63.409999999999997 110.981 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 24.0 m-20 -104.78 126.99 52.42 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.486 0.756 . . . . 75.030000000000001 109.27 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 12.6 p90 -62.49 140.18 58.6 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.552 1.158 . . . . 74.310000000000002 110.994 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.577 HG23 ' CE1' ' A' ' 50' ' ' TYR . 0.1 OUTLIER -140.53 138.73 35.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.536 1.147 . . . . 73.519999999999996 109.347 179.991 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 58.8 t -62.06 151.96 7.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.496 1.122 . . . . 75.409999999999997 109.264 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.64 HD21 HD21 ' A' ' 29' ' ' LEU . 1.5 tp -144.85 113.36 6.65 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.522 1.139 . . . . 63.240000000000002 109.328 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . 0.429 ' N ' HD12 ' A' ' 60' ' ' LEU . . . -152.0 22.46 0.89 Allowed Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.542 1.151 . . . . 73.200000000000003 111.032 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 7.9 m -150.39 171.1 17.56 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.468 0.746 . . . . 55.100000000000001 109.993 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -74.77 -30.02 61.32 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 62.310000000000002 109.255 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . 0.498 ' O ' ' CG2' ' A' ' 68' ' ' VAL . 19.3 tt0 -75.72 -9.77 58.87 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.501 1.125 . . . . 73.200000000000003 110.288 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -106.6 -18.4 13.97 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.48 1.112 . . . . 70.400000000000006 109.311 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' TRP . . . . . 0.592 ' CE3' ' O ' ' A' ' 66' ' ' TRP . 3.7 t-105 -100.35 -21.9 15.26 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 107.98 -1.119 . . . . 71.140000000000001 107.98 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 3.2 t30 -90.67 -42.7 10.6 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.506 1.129 . . . . 65.200000000000003 109.347 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.498 ' CG2' ' O ' ' A' ' 64' ' ' GLU . 16.3 t -60.24 -27.52 39.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.446 1.091 . . . . 72.349999999999994 109.266 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . 0.636 ' HB2' ' CE2' ' A' ' 50' ' ' TYR . . . -79.68 -47.61 15.06 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.469 1.106 . . . . 41.109999999999999 109.322 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . 0.559 ' HD3' ' CZ2' ' A' ' 66' ' ' TRP . 2.2 mtmp? -51.81 -61.29 2.35 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.474 1.108 . . . . 71.219999999999999 109.296 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 15.1 mm-40 -45.25 -25.6 0.4 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.523 1.139 . . . . 72.140000000000001 110.312 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' MET . . . . . 0.409 ' N ' ' C ' ' A' ' 70' ' ' LYS . 3.8 ttp -79.44 -43.16 23.82 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.503 1.127 . . . . 64.019999999999996 110.988 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.51 HD22 HD13 ' A' ' 5' ' ' ILE . 6.3 mp -51.25 -49.34 61.34 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.538 1.149 . . . . 73.219999999999999 109.314 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -52.4 -27.16 14.64 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.492 1.12 . . . . 63.130000000000003 109.344 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 18.7 mm-40 -92.58 -26.4 17.9 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.481 1.113 . . . . 73.439999999999998 110.271 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 80.8 m-20 -82.26 -15.46 52.98 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.542 1.152 . . . . 74.239999999999995 109.291 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 2.9 m-80 60.15 42.58 15.27 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.508 1.13 . . . . 71.420000000000002 109.355 -179.922 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 8.4 pt-20 -118.13 140.53 49.64 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.454 1.096 . . . . 75.010000000000005 110.278 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 35.7 mmtt -105.38 17.22 24.3 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.504 1.127 . . . . 73.409999999999997 109.296 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 9.7 p90 -139.86 177.45 7.95 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.501 1.125 . . . . 71.349999999999994 111.028 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.923 HD13 ' CZ ' ' A' ' 7' ' ' PHE . 3.1 tt -146.69 166.41 26.66 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.534 1.146 . . . . 72.239999999999995 109.268 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' ASN . . . . . 0.799 ' N ' HD23 ' A' ' 81' ' ' LEU . 1.0 OUTLIER -125.65 125.99 43.98 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.534 1.146 . . . . 75.319999999999993 109.283 179.969 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . 0.644 HD13 ' HA ' ' A' ' 50' ' ' TYR . 27.0 mm -129.89 145.45 35.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.445 1.09 . . . . 75.540000000000006 109.34 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . 0.785 ' C ' HD22 ' A' ' 85' ' ' LEU . 3.8 ttp-105 -123.88 140.31 53.11 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.551 1.157 . . . . 75.299999999999997 110.317 179.945 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.886 HD23 HG23 ' A' ' 9' ' ' ILE . 2.9 mm? -145.0 140.86 28.46 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.471 1.107 . . . . 64.299999999999997 109.325 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' TYR . . . . . 0.431 ' N ' ' CD1' ' A' ' 86' ' ' TYR . 10.9 p90 . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.508 1.13 . . . . 52.409999999999997 111.01 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 N--CA 1.453 -0.864 0 N-CA-C 111.005 -0.421 . . . . 75.400000000000006 111.005 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 41.7 mt -145.21 147.73 32.76 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.466 1.104 . . . . 74.010000000000005 109.306 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 118.5 39.78 0.71 Allowed Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.432 1.083 . . . . 64.120000000000005 111.035 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . 0.561 ' CB ' HD11 ' A' ' 19' ' ' LEU . 0.9 OUTLIER -164.25 -175.12 3.81 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.513 0.773 . . . . 74.340000000000003 109.966 -179.992 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 13.1 mt -131.09 143.78 39.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.532 1.145 . . . . 62.310000000000002 109.309 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 3.8 tp -96.93 139.77 32.47 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 75.019999999999996 109.288 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . 0.615 ' CG ' HG11 ' A' ' 20' ' ' VAL . 2.7 m-30 -117.17 119.76 36.21 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.527 1.142 . . . . 74.439999999999998 111.014 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . 0.747 ' HG2' HG23 ' A' ' 15' ' ' ILE . 2.9 ttm180 -87.44 98.54 11.43 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.538 1.149 . . . . 72.439999999999998 110.269 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.48 HD12 ' O ' ' A' ' 7' ' ' PHE . 3.9 mp -89.68 117.56 33.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.469 1.105 . . . . 75.209999999999994 109.286 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 1.2 t -95.32 137.22 34.68 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.478 1.111 . . . . 71.010000000000005 109.977 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . 0.439 ' HD2' HD23 ' A' ' 85' ' ' LEU . 0.8 OUTLIER -157.96 133.39 8.9 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.482 1.114 . . . . 71.329999999999998 111.035 179.983 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . 0.562 ' O ' ' CB ' ' A' ' 13' ' ' SER . 6.1 m-20 63.97 12.71 7.08 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.544 1.153 . . . . 64.519999999999996 109.338 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . 0.562 ' CB ' ' O ' ' A' ' 12' ' ' ASN . 0.7 OUTLIER 90.19 12.43 0.05 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.516 1.135 . . . . 65.019999999999996 109.989 179.968 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . 0.58 ' O ' HD13 ' A' ' 15' ' ' ILE . 17.5 mm-40 -101.27 -166.71 1.33 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.462 1.101 . . . . 75.310000000000002 110.265 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.747 HG23 ' HG2' ' A' ' 8' ' ' ARG . 14.0 mm -141.58 131.34 24.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.48 1.113 . . . . 74.549999999999997 109.345 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 2.7 t80 -125.31 158.68 33.58 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.541 1.151 . . . . 71.129999999999995 110.958 -179.934 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 2.2 p -116.52 145.34 43.4 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.454 1.096 . . . . 70.310000000000002 110.377 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.782 HD23 ' CE ' ' A' ' 36' ' ' LYS . 0.9 OUTLIER -152.61 106.45 3.09 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.552 1.157 . . . . 72.219999999999999 109.25 179.994 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.561 HD11 ' CB ' ' A' ' 4' ' ' SER . 0.2 OUTLIER -65.09 103.61 0.78 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.522 1.139 . . . . 71.329999999999998 109.321 179.955 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.615 HG11 ' CG ' ' A' ' 7' ' ' PHE . 3.2 p -108.86 115.48 49.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.545 1.153 . . . . 73.400000000000006 109.284 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.562 ' HB2' ' CD1' ' A' ' 24' ' ' TRP . 7.6 mm-40 -59.45 166.37 2.38 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.517 1.136 . . . . 75.129999999999995 110.25 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 19.5 mttt -86.3 9.49 17.68 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.491 1.119 . . . . 75.409999999999997 109.246 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.524 HG12 ' HB3' ' A' ' 21' ' ' GLU . 0.9 OUTLIER -113.46 -12.61 11.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.49 1.119 . . . . 72.129999999999995 109.32 179.996 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' TRP . . . . . 0.562 ' CD1' ' HB2' ' A' ' 21' ' ' GLU . 39.5 m0 -70.13 98.23 1.3 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.512 1.133 . . . . 74.409999999999997 107.965 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . 0.517 ' HA ' ' CE2' ' A' ' 66' ' ' TRP . 11.3 p-10 -63.25 179.7 0.39 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.451 1.094 . . . . 62.530000000000001 109.28 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . 0.556 ' CE2' ' OD2' ' A' ' 27' ' ' ASP . 20.2 p90 -49.5 -40.45 37.54 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.508 1.13 . . . . 70.019999999999996 110.969 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . 0.556 ' OD2' ' CE2' ' A' ' 26' ' ' PHE . 40.3 m-20 -62.72 -62.43 1.73 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.536 1.148 . . . . 62.520000000000003 109.316 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . 0.417 ' O ' ' HB2' ' A' ' 32' ' ' ALA . 50.1 t0 -54.14 -24.51 18.1 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.428 1.08 . . . . 64.439999999999998 109.292 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.679 ' CD2' HD21 ' A' ' 60' ' ' LEU . 0.4 OUTLIER -69.46 -57.7 4.91 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.508 1.13 . . . . 62.210000000000001 109.283 179.986 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.457 ' CD1' HG12 ' A' ' 48' ' ' ILE . 35.8 mm -59.33 -34.69 54.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.522 1.138 . . . . 61.219999999999999 109.271 -179.949 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 3.5 mmm -76.36 -28.39 56.8 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.45 1.094 . . . . 72.099999999999994 110.999 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . 0.634 ' HB1' HD11 ' A' ' 18' ' ' LEU . . . -60.21 -60.83 3.2 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.539 1.149 . . . . 65.319999999999993 109.309 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.572 ' H ' HD12 ' A' ' 33' ' ' ILE . 3.6 mp -60.49 -47.04 94.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.494 1.121 . . . . 75.329999999999998 109.291 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 1.4 m-80 -54.65 -20.12 7.51 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.481 1.113 . . . . 74.430000000000007 109.316 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 1.4 t -77.92 -40.73 38.74 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.498 1.124 . . . . 70.450000000000003 110.0 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 0.782 ' CE ' HD23 ' A' ' 18' ' ' LEU . 0.1 OUTLIER -70.41 -38.37 74.63 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.513 1.133 . . . . 74.040000000000006 109.295 179.993 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.665 HD13 HD11 ' A' ' 45' ' ' ILE . 0.4 OUTLIER -88.49 -3.9 9.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.448 1.092 . . . . 72.140000000000001 109.294 -179.995 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . 0.4 ' C ' ' O ' ' A' ' 37' ' ' ILE . 27.4 t -39.35 -30.11 0.06 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.521 1.138 . . . . 43.119999999999997 110.022 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . 0.433 ' N ' ' O ' ' A' ' 37' ' ' ILE . 4.3 t30 -40.65 -50.01 3.03 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.464 1.102 . . . . 51.350000000000001 109.301 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 74.6 p -79.9 99.65 7.67 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.478 1.111 . . . . 62.439999999999998 110.426 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 28.1 t60 -99.99 43.36 1.06 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.491 1.119 . . . . 61.049999999999997 109.627 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 6.1 pt -120.94 -42.72 2.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.552 1.157 . . . . 71.310000000000002 109.316 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 3.1 m -175.27 95.23 0.27 Allowed Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.475 1.109 . . . . 72.209999999999994 110.046 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.97 -162.19 0.14 Allowed 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.493 1.786 . . . . 75.120000000000005 111.002 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . 0.718 HD12 ' O ' ' A' ' 45' ' ' ILE . 1.4 pp -116.89 117.37 55.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 O-C-N 124.537 1.148 . . . . 74.310000000000002 109.305 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 6.8 p -99.51 36.36 1.78 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.493 1.12 . . . . 75.310000000000002 110.43 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -168.96 126.9 1.0 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.467 1.104 . . . . 64.530000000000001 109.299 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.576 ' CD1' HD11 ' A' ' 29' ' ' LEU . 4.4 pt -125.18 149.5 29.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.472 1.108 . . . . 73.310000000000002 109.27 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 1.2 ttmp? -110.84 108.81 18.75 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.477 1.111 . . . . 75.209999999999994 109.339 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' TYR . . . . . 0.673 ' HB2' HD21 ' A' ' 81' ' ' LEU . 9.7 p90 -100.48 149.9 23.21 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.475 1.109 . . . . 74.409999999999997 111.019 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 44.7 tt0 -85.73 154.26 21.75 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.488 1.118 . . . . 64.420000000000002 110.34 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 7.5 t0 -115.58 -174.9 2.6 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.487 1.117 . . . . 74.219999999999999 109.323 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 2.4 pp20? -68.93 -34.34 75.21 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.503 1.127 . . . . 74.040000000000006 110.329 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 37.1 t70 -64.97 -16.02 62.9 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.468 1.105 . . . . 73.040000000000006 109.287 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 85.77 8.82 79.18 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.549 1.155 . . . . 63.399999999999999 111.003 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 2.7 t70 -99.13 139.46 34.74 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.496 0.763 . . . . 74.430000000000007 109.291 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 21.8 p90 -70.11 143.33 52.42 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.488 1.118 . . . . 74.219999999999999 110.989 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.491 HG23 ' CE1' ' A' ' 50' ' ' TYR . 0.1 OUTLIER -145.91 135.12 17.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.481 1.113 . . . . 71.540000000000006 109.256 -179.974 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 4.3 p -67.01 155.02 7.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.517 1.136 . . . . 61.409999999999997 109.354 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.981 HD12 ' N ' ' A' ' 61' ' ' GLY . 0.3 OUTLIER -141.33 122.86 15.06 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.508 1.13 . . . . 64.439999999999998 109.275 -179.95 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . 0.981 ' N ' HD12 ' A' ' 60' ' ' LEU . . . -165.12 28.75 0.2 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.549 1.155 . . . . 60.340000000000003 110.936 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 11.8 m -161.85 162.71 29.44 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.495 0.762 . . . . 52.310000000000002 110.005 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . 0.443 ' OD1' ' ND2' ' A' ' 67' ' ' ASN . 25.4 t70 -65.34 -20.99 66.64 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.509 1.131 . . . . 61.020000000000003 109.339 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . 0.428 ' OE1' HG21 ' A' ' 68' ' ' VAL . 18.2 tp10 -77.1 -18.69 57.8 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.459 1.099 . . . . 71.340000000000003 110.322 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . 0.473 ' CB ' HD13 ' A' ' 60' ' ' LEU . 4.1 m-20 -108.05 -13.69 14.89 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.542 1.151 . . . . 71.329999999999998 109.283 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' TRP . . . . . 0.596 ' CZ3' ' OD1' ' A' ' 67' ' ' ASN . 8.3 t90 -90.81 -28.51 18.16 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.558 1.161 . . . . 74.439999999999998 107.973 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . 0.596 ' OD1' ' CZ3' ' A' ' 66' ' ' TRP . 42.0 m-20 -89.6 -49.2 6.8 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.472 1.107 . . . . 73.099999999999994 109.279 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.428 HG21 ' OE1' ' A' ' 64' ' ' GLU . 62.9 t -62.1 -15.32 13.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.48 1.113 . . . . 62.240000000000002 109.324 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . 0.446 ' CB ' ' CE2' ' A' ' 50' ' ' TYR . . . -91.96 -40.21 11.25 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.531 1.144 . . . . 42.340000000000003 109.32 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . 0.485 ' HZ1' ' HA ' ' A' ' 67' ' ' ASN . 10.8 mtmm -66.87 -58.84 4.22 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.501 1.126 . . . . 73.409999999999997 109.323 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 76.7 mt-10 -44.24 -27.73 0.45 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.518 1.136 . . . . 74.140000000000001 110.283 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 1.5 tpt -69.18 -42.1 76.28 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.535 1.147 . . . . 72.219999999999999 111.0 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.495 HD11 HD12 ' A' ' 81' ' ' LEU . 5.2 mt -54.03 -45.21 71.53 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.512 1.132 . . . . 71.129999999999995 109.29 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -56.79 -32.99 66.22 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.499 1.124 . . . . 71.200000000000003 109.294 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 53.2 mt-10 -84.7 -21.42 30.15 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.564 1.165 . . . . 70.239999999999995 110.312 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 81.4 m-20 -89.83 -14.03 35.27 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.462 1.102 . . . . 72.25 109.261 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 25.0 m-80 60.8 39.83 16.67 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.522 1.139 . . . . 70.519999999999996 109.272 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -121.22 154.95 35.61 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.522 1.138 . . . . 72.340000000000003 110.332 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 15.3 mmtp -113.37 15.32 19.22 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.493 1.12 . . . . 74.329999999999998 109.302 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 8.0 p90 -135.81 174.18 10.9 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.467 1.104 . . . . 73.109999999999999 111.014 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.749 HD23 ' H ' ' A' ' 82' ' ' ASN . 1.2 tt -140.4 166.36 24.93 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.506 1.129 . . . . 70.040000000000006 109.308 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' ASN . . . . . 0.749 ' H ' HD23 ' A' ' 81' ' ' LEU . 1.4 t30 -127.24 107.65 10.19 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.492 1.12 . . . . 53.200000000000003 109.326 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . 0.737 HD11 HD22 ' A' ' 81' ' ' LEU . 17.6 mm -108.7 149.82 11.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.482 1.114 . . . . 61.210000000000001 109.294 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 19.3 ttm-85 -116.44 146.86 42.22 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.523 1.139 . . . . 75.340000000000003 110.343 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.635 HD21 HG12 ' A' ' 45' ' ' ILE . 7.2 tp -145.68 116.22 7.62 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.489 1.118 . . . . 44.109999999999999 109.287 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 29.0 p90 . . . . . 0 C--N 1.324 -0.51 0 O-C-N 124.569 1.168 . . . . 74.510000000000005 110.98 179.997 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 N--CA 1.452 -0.923 0 N-CA-C 111.0 -0.423 . . . . 72.340000000000003 111.0 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . 0.49 HD23 ' N ' ' A' ' 2' ' ' LEU . 0.2 OUTLIER -98.82 94.65 6.72 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.426 1.079 . . . . 71.140000000000001 109.308 179.978 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -151.61 21.46 0.92 Allowed Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.506 1.129 . . . . 42.130000000000003 111.017 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -163.87 176.82 9.1 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.534 0.784 . . . . 72.409999999999997 109.995 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 18.2 mt -122.84 144.98 30.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.479 1.112 . . . . 73.430000000000007 109.296 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.89 HD22 ' H ' ' A' ' 7' ' ' PHE . 0.9 OUTLIER -103.35 145.02 30.59 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.445 1.091 . . . . 73.239999999999995 109.304 179.989 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . 0.89 ' H ' HD22 ' A' ' 6' ' ' LEU . 1.8 m-85 -124.14 120.14 31.47 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.476 1.11 . . . . 72.209999999999994 110.993 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . 0.456 ' CG ' ' HA ' ' A' ' 82' ' ' ASN . 3.8 ptp85 -106.25 77.38 1.22 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.494 1.121 . . . . 73.519999999999996 110.288 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.475 ' CG2' HD12 ' A' ' 85' ' ' LEU . 3.1 mp -47.16 108.77 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.502 1.126 . . . . 75.230000000000004 109.346 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 29.9 m -105.16 116.3 31.71 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.501 1.126 . . . . 73.340000000000003 110.027 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 1.5 t80 -98.2 -165.6 1.27 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.508 1.13 . . . . 75.430000000000007 110.994 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 52.8 t30 -48.71 -58.5 4.66 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.462 1.101 . . . . 74.409999999999997 109.307 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 1.6 m -137.72 12.19 2.93 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.493 1.12 . . . . 55.009999999999998 109.974 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . 0.826 ' O ' HD13 ' A' ' 15' ' ' ILE . 6.8 mt-10 -109.43 159.22 17.21 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.55 1.156 . . . . 62.520000000000003 110.333 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.826 HD13 ' O ' ' A' ' 14' ' ' GLU . 8.8 mm -143.29 145.11 22.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.482 1.114 . . . . 74.519999999999996 109.296 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . 0.462 ' O ' ' N ' ' A' ' 9' ' ' ILE . 5.8 t80 -157.84 146.16 19.01 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.538 1.149 . . . . 61.149999999999999 111.004 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 1.8 p -107.87 157.65 18.0 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.513 1.133 . . . . 75.299999999999997 110.407 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.644 HD13 ' O ' ' A' ' 18' ' ' LEU . 0.3 OUTLIER -165.39 119.81 1.26 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.529 1.143 . . . . 41.219999999999999 109.323 -179.981 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.665 HD13 ' N ' ' A' ' 20' ' ' VAL . 0.2 OUTLIER -77.16 127.04 31.93 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.492 1.12 . . . . 62.310000000000002 109.337 179.984 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.665 ' N ' HD13 ' A' ' 19' ' ' LEU . 14.6 p -129.74 121.8 53.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.503 1.127 . . . . 72.209999999999994 109.297 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.524 ' HB3' HG12 ' A' ' 23' ' ' VAL . 42.5 mt-10 -63.26 165.13 7.8 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.498 1.124 . . . . 72.209999999999994 110.286 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 13.9 mttt -89.35 13.9 12.46 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.502 1.126 . . . . 63.340000000000003 109.305 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.524 HG12 ' HB3' ' A' ' 21' ' ' GLU . 0.2 OUTLIER -110.9 -34.51 2.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.469 1.105 . . . . 74.200000000000003 109.324 -179.992 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' TRP . . . . . 0.516 ' CD1' ' HB2' ' A' ' 21' ' ' GLU . 13.3 m0 -58.5 100.47 0.06 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.51 1.131 . . . . 64.420000000000002 107.984 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . 0.443 ' OD1' ' CB ' ' A' ' 27' ' ' ASP . 22.8 p30 -55.26 -174.55 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.454 1.096 . . . . 65.420000000000002 109.313 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 7.8 p90 -61.54 -28.37 69.28 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.524 1.14 . . . . 73.439999999999998 111.005 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . 0.443 ' CB ' ' OD1' ' A' ' 25' ' ' ASN . 1.6 t70 -67.26 -65.9 0.63 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.5 1.125 . . . . 63.32 109.346 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . 0.448 ' O ' ' HB2' ' A' ' 32' ' ' ALA . 5.3 m-20 -56.88 -34.93 68.36 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.452 1.095 . . . . 74.540000000000006 109.307 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.951 HD21 HD21 ' A' ' 60' ' ' LEU . 0.6 OUTLIER -55.75 -47.26 77.28 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.462 1.101 . . . . 70.450000000000003 109.248 179.998 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.58 HD11 HG12 ' A' ' 48' ' ' ILE . 25.2 mm -70.72 -52.39 28.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.559 1.162 . . . . 62.350000000000001 109.282 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 9.2 mmt -60.09 -16.04 28.35 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.47 1.106 . . . . 62.0 110.997 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . 0.448 ' HB2' ' O ' ' A' ' 28' ' ' ASP . . . -75.95 -66.78 0.75 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.503 1.127 . . . . 72.019999999999996 109.257 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.507 ' H ' HD12 ' A' ' 33' ' ' ILE . 4.3 mp -61.01 -30.27 47.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.527 1.142 . . . . 73.239999999999995 109.317 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -65.83 -11.54 47.24 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.473 1.108 . . . . 60.350000000000001 109.315 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 17.8 t -103.27 -30.8 10.42 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.534 1.146 . . . . 75.310000000000002 109.998 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 0.568 ' HE2' HD23 ' A' ' 18' ' ' LEU . 16.3 mmtm -74.09 -36.65 64.29 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.535 1.147 . . . . 70.150000000000006 109.301 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.497 HG23 ' O ' ' A' ' 33' ' ' ILE . 5.9 pt -86.29 -7.9 11.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.529 1.143 . . . . 71.150000000000006 109.327 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 2.7 p -42.28 -28.06 0.18 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.478 1.112 . . . . 62.450000000000003 109.918 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 9.3 t30 -40.33 -45.82 2.21 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.497 1.123 . . . . 65.310000000000002 109.312 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 17.0 p -72.46 140.19 48.13 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.542 1.151 . . . . 71.099999999999994 110.412 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 12.4 m170 -112.66 47.75 1.07 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.481 1.113 . . . . 75.230000000000004 109.61 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.49 ' O ' ' CB ' ' A' ' 43' ' ' SER . 9.7 pt -119.33 -45.14 2.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.458 1.099 . . . . 71.329999999999998 109.288 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . 0.49 ' CB ' ' O ' ' A' ' 42' ' ' ILE . 1.1 m 159.88 141.31 0.01 OUTLIER Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.472 1.108 . . . . 72.219999999999999 110.022 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 -162.23 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.459 1.768 . . . . 74.120000000000005 110.97 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . 0.71 HD12 ' O ' ' A' ' 45' ' ' ILE . 1.5 pp -144.27 104.84 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.533 1.146 . . . . 75.439999999999998 109.328 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 6.2 t -79.39 2.94 19.9 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.493 1.12 . . . . 74.400000000000006 110.355 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . 0.53 ' HD2' HG21 ' A' ' 59' ' ' VAL . 18.0 mmtp -126.6 123.11 36.89 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.508 1.13 . . . . 74.540000000000006 109.294 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.58 HG12 HD11 ' A' ' 30' ' ' ILE . 11.7 pt -123.27 120.13 59.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.544 1.153 . . . . 70.310000000000002 109.282 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 24.7 mttp -88.56 91.72 8.91 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.532 1.145 . . . . 60.420000000000002 109.296 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' TYR . . . . . 0.602 ' CE1' HG23 ' A' ' 58' ' ' VAL . 9.5 p90 -86.09 148.62 25.62 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.453 1.096 . . . . 74.140000000000001 111.006 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 40.8 tt0 -77.31 156.37 31.37 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.461 1.101 . . . . 72.219999999999999 110.25 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 2.1 p-10 -122.52 -177.29 3.59 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.472 1.107 . . . . 73.420000000000002 109.3 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 19.1 pt-20 -60.31 -46.1 91.06 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.458 1.099 . . . . 72.120000000000005 110.308 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 7.9 t70 -50.63 -25.67 4.48 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.473 1.108 . . . . 73.349999999999994 109.304 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 95.65 12.05 54.2 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.495 1.122 . . . . 53.229999999999997 110.979 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 6.2 t70 -103.03 171.58 7.3 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.511 0.771 . . . . 74.329999999999998 109.289 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 96.9 m-85 -99.0 139.18 35.02 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.492 1.12 . . . . 64.420000000000002 110.968 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.602 HG23 ' CE1' ' A' ' 50' ' ' TYR . 0.2 OUTLIER -138.92 139.98 39.54 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.475 1.11 . . . . 51.409999999999997 109.32 179.993 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.53 HG21 ' HD2' ' A' ' 47' ' ' LYS . 12.2 p -66.28 144.15 14.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.489 1.118 . . . . 72.129999999999995 109.334 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.951 HD21 HD21 ' A' ' 29' ' ' LEU . 1.2 tp -131.01 112.49 12.97 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.508 1.13 . . . . 70.219999999999999 109.327 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . 0.488 ' N ' HD12 ' A' ' 60' ' ' LEU . . . -151.89 24.01 0.91 Allowed Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.494 1.121 . . . . 61.439999999999998 111.016 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -148.21 157.24 43.38 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.508 0.77 . . . . 64.030000000000001 110.011 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . 0.428 ' O ' ' N ' ' A' ' 67' ' ' ASN . 1.4 p30 -65.13 -31.6 72.88 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.496 1.122 . . . . 74.129999999999995 109.284 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . 0.621 ' O ' HG23 ' A' ' 68' ' ' VAL . 46.2 mt-10 -72.61 -32.83 66.25 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.503 1.127 . . . . 43.240000000000002 110.299 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -83.64 -15.52 48.61 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.544 1.153 . . . . 63.420000000000002 109.275 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' TRP . . . . . 0.742 ' HB2' HD11 ' A' ' 60' ' ' LEU . 10.9 t-105 -100.24 -23.68 14.75 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.507 1.13 . . . . 71.400000000000006 107.99 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . 0.428 ' N ' ' O ' ' A' ' 63' ' ' ASP . 5.9 t30 -88.68 -48.79 7.28 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.469 1.105 . . . . 75.0 109.256 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.621 HG23 ' O ' ' A' ' 64' ' ' GLU . 76.9 t -60.3 -25.27 33.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.514 1.134 . . . . 62.420000000000002 109.293 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . 0.48 ' CB ' ' CE2' ' A' ' 50' ' ' TYR . . . -78.57 -48.29 15.51 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.502 1.126 . . . . 73.010000000000005 109.269 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . 0.437 ' HD3' ' CZ2' ' A' ' 66' ' ' TRP . 28.9 mtmt -52.77 -53.75 43.74 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.514 1.134 . . . . 73.420000000000002 109.294 -179.951 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 31.2 mm-40 -54.18 -19.37 5.01 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.528 1.142 . . . . 71.019999999999996 110.295 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' MET . . . . . 0.405 ' O ' ' N ' ' A' ' 76' ' ' ASN . 5.2 ttm -78.45 -34.73 47.57 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.477 1.111 . . . . 54.439999999999998 110.981 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.688 HD13 ' CG ' ' A' ' 78' ' ' GLU . 0.5 OUTLIER -48.62 -59.38 3.57 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.47 1.106 . . . . 71.540000000000006 109.283 -179.974 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -50.62 -30.87 14.47 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.503 1.127 . . . . 51.530000000000001 109.259 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 11.4 mt-10 -80.91 -26.75 36.54 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.475 1.109 . . . . 72.200000000000003 110.33 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' ASN . . . . . 0.423 ' C ' ' N ' ' A' ' 78' ' ' GLU . 88.9 m-20 -87.9 11.22 16.27 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.489 1.118 . . . . 72.120000000000005 109.259 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 39.8 m-80 40.46 30.1 0.08 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.489 1.118 . . . . 71.439999999999998 109.316 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . 0.688 ' CG ' HD13 ' A' ' 73' ' ' LEU . 9.0 pt-20 -113.47 164.27 13.83 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.453 1.096 . . . . 74.120000000000005 110.28 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 36.4 mtmt -126.62 15.19 7.59 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.481 1.113 . . . . 73.420000000000002 109.292 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' PHE . . . . . 0.527 ' CE1' ' HB2' ' A' ' 78' ' ' GLU . 1.3 p90 -135.65 173.91 11.19 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.514 1.134 . . . . 42.310000000000002 110.973 -179.948 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.738 HD12 ' CE1' ' A' ' 7' ' ' PHE . 1.5 tm? -147.02 150.72 35.67 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.487 1.117 . . . . 72.420000000000002 109.307 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' ASN . . . . . 0.61 ' N ' HD13 ' A' ' 81' ' ' LEU . 0.7 OUTLIER -126.83 148.2 49.98 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.555 1.16 . . . . 71.420000000000002 109.281 -179.957 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . 0.565 HD11 ' CE2' ' A' ' 7' ' ' PHE . 36.9 mm -122.76 159.01 26.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.52 1.137 . . . . 71.120000000000005 109.326 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 43.5 ttt-85 -127.01 116.84 21.36 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.435 1.085 . . . . 74.519999999999996 110.325 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.475 HD12 ' CG2' ' A' ' 9' ' ' ILE . 11.8 mt -110.8 133.85 53.0 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 73.019999999999996 109.309 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 9.1 t80 . . . . . 0 C--N 1.324 -0.513 0 O-C-N 124.535 1.147 . . . . 73.099999999999994 110.983 -179.997 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 N--CA 1.453 -0.897 0 N-CA-C 110.998 -0.424 . . . . 73.319999999999993 110.998 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -95.59 -174.3 3.13 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.469 1.106 . . . . 75.409999999999997 109.321 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 39.45 67.05 0.65 Allowed Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.509 1.13 . . . . 72.400000000000006 110.992 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -152.47 171.54 17.92 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.494 0.761 . . . . 71.340000000000003 109.992 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.427 HD12 ' HG2' ' A' ' 22' ' ' LYS . 23.8 mt -123.01 145.75 29.4 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.503 1.127 . . . . 64.140000000000001 109.257 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.831 HD22 ' H ' ' A' ' 7' ' ' PHE . 0.9 OUTLIER -102.95 147.2 27.23 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.524 1.14 . . . . 73.420000000000002 109.292 -179.99 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . 0.831 ' H ' HD22 ' A' ' 6' ' ' LEU . 1.6 m-85 -123.76 112.62 17.54 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.45 1.094 . . . . 34.420000000000002 111.002 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . 0.456 ' HG2' ' CG2' ' A' ' 15' ' ' ILE . 41.9 ttp180 -92.72 85.18 5.15 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.531 1.144 . . . . 74.099999999999994 110.289 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.603 ' H ' HD12 ' A' ' 9' ' ' ILE . 4.3 mp -65.28 161.86 2.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.508 1.13 . . . . 74.439999999999998 109.286 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . 0.447 ' O ' ' N ' ' A' ' 85' ' ' LEU . 1.6 p -162.09 135.91 6.48 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.527 1.142 . . . . 75.230000000000004 109.99 179.944 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . 0.454 ' C ' ' N ' ' A' ' 13' ' ' SER . 68.7 t80 -146.62 176.59 9.72 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.47 1.106 . . . . 72.549999999999997 111.01 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . 0.432 ' N ' ' CG ' ' A' ' 11' ' ' TYR . 8.6 t-20 -39.65 -29.08 0.05 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.51 1.131 . . . . 50.420000000000002 109.297 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . 0.454 ' N ' ' C ' ' A' ' 11' ' ' TYR . 18.9 t -72.86 -95.47 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.482 1.113 . . . . 73.030000000000001 109.979 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 29.5 mt-10 -141.64 -170.93 3.22 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.575 1.172 . . . . 74.120000000000005 110.317 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.456 ' CG2' ' HG2' ' A' ' 8' ' ' ARG . 1.0 OUTLIER -106.01 121.66 58.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.506 1.129 . . . . 75.430000000000007 109.296 -179.968 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 31.9 m-85 -115.59 176.68 4.97 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.454 1.096 . . . . 61.240000000000002 110.97 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.672 ' HB ' HD21 ' A' ' 6' ' ' LEU . 7.8 p -131.87 146.78 52.32 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.479 1.112 . . . . 74.120000000000005 110.361 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.692 HD23 ' CE ' ' A' ' 36' ' ' LYS . 1.5 tm? -147.08 122.18 10.13 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.506 1.129 . . . . 63.100000000000001 109.314 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.527 HD13 ' N ' ' A' ' 20' ' ' VAL . 0.3 OUTLIER -75.6 120.91 21.65 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.518 1.136 . . . . 75.049999999999997 109.277 -179.977 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.544 HG23 ' CE3' ' A' ' 24' ' ' TRP . 15.0 p -127.0 117.54 47.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.525 1.141 . . . . 64.140000000000001 109.296 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.555 ' OE2' ' CZ2' ' A' ' 24' ' ' TRP . 1.4 mp0 -56.58 167.87 0.66 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.476 1.11 . . . . 70.239999999999995 110.277 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . 0.427 ' HG2' HD12 ' A' ' 5' ' ' ILE . 17.5 mttt -89.85 15.67 9.45 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.514 1.134 . . . . 73.129999999999995 109.296 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.527 HG12 ' HB3' ' A' ' 21' ' ' GLU . 0.2 OUTLIER -113.71 -35.68 2.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.533 1.146 . . . . 72.209999999999994 109.306 179.982 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' TRP . . . . . 0.555 ' CZ2' ' OE2' ' A' ' 21' ' ' GLU . 15.6 m0 -54.51 93.06 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 107.98 -1.119 . . . . 73.439999999999998 107.98 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . 0.439 ' N ' ' O ' ' A' ' 23' ' ' VAL . 26.3 p-10 -51.4 176.9 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.468 1.105 . . . . 74.219999999999999 109.293 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . 0.403 ' CG ' ' N ' ' A' ' 27' ' ' ASP . 29.9 p90 -50.02 -35.38 24.55 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.464 1.103 . . . . 73.010000000000005 110.999 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . 0.403 ' N ' ' CG ' ' A' ' 26' ' ' PHE . 0.9 OUTLIER -62.91 -71.99 0.15 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.566 1.166 . . . . 75.409999999999997 109.257 -179.984 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -51.68 -22.68 3.63 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.515 1.134 . . . . 64.200000000000003 109.255 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.781 HD21 HD21 ' A' ' 60' ' ' LEU . 1.0 OUTLIER -69.68 -58.42 3.94 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.459 1.1 . . . . 63.310000000000002 109.297 -179.991 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.425 HD13 ' HA ' ' A' ' 30' ' ' ILE . 13.5 mm -56.92 -21.16 13.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.462 1.101 . . . . 75.430000000000007 109.312 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 16.0 mtp -90.48 -22.44 21.37 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.494 1.121 . . . . 35.240000000000002 111.011 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . 0.512 ' HB1' HD11 ' A' ' 18' ' ' LEU . . . -69.24 -39.76 78.3 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.454 1.096 . . . . 63.140000000000001 109.265 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.661 HD11 ' CD2' ' A' ' 7' ' ' PHE . 2.5 mp -82.95 -43.96 18.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.46 1.1 . . . . 74.400000000000006 109.276 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 1.5 m-80 -60.17 -16.01 29.05 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.53 1.144 . . . . 62.009999999999998 109.334 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 9.6 t -79.62 -36.66 37.61 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.465 1.103 . . . . 52.340000000000003 109.991 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 0.692 ' CE ' HD23 ' A' ' 18' ' ' LEU . 1.1 mptp? -75.64 -48.81 20.58 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.471 1.107 . . . . 64.239999999999995 109.31 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.639 ' CD1' HD11 ' A' ' 45' ' ' ILE . 0.7 OUTLIER -74.52 -4.22 5.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.534 1.147 . . . . 74.439999999999998 109.282 -179.945 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . 0.452 ' C ' ' N ' ' A' ' 40' ' ' THR . 28.9 t -49.41 -23.09 1.34 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.502 1.126 . . . . 54.549999999999997 110.036 179.933 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . 0.401 ' C ' ' O ' ' A' ' 38' ' ' SER . 12.6 p30 -40.39 -29.93 0.1 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.493 1.121 . . . . 74.219999999999999 109.289 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . 0.452 ' N ' ' C ' ' A' ' 38' ' ' SER . 0.0 OUTLIER -119.63 103.49 9.45 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.581 1.176 . . . . 73.400000000000006 110.425 179.961 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 6.1 p-80 -92.55 31.09 1.39 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.531 1.145 . . . . 73.329999999999998 109.595 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 3.2 pt -90.93 -36.77 8.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.484 1.115 . . . . 72.049999999999997 109.286 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 1.9 m 174.04 93.83 0.07 OUTLIER Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.54 1.15 . . . . 74.140000000000001 110.004 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 -162.2 0.14 Allowed 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.431 1.753 . . . . 54.109999999999999 110.981 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . 0.65 HG12 HD22 ' A' ' 85' ' ' LEU . 1.4 pp -121.04 99.73 7.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.488 1.117 . . . . 72.409999999999997 109.307 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 13.6 p -63.38 -22.95 67.19 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.522 1.139 . . . . 75.340000000000003 110.375 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 18.2 ptmt -118.57 144.37 46.14 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.545 1.153 . . . . 71.140000000000001 109.256 -179.946 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 1.082 HG22 HD21 ' A' ' 85' ' ' LEU . 2.5 pp -135.54 154.49 35.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.511 1.132 . . . . 74.329999999999998 109.254 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 22.9 ttmt -114.28 129.63 56.64 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.448 1.093 . . . . 65.430000000000007 109.294 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' TYR . . . . . 0.745 ' HB2' HD11 ' A' ' 81' ' ' LEU . 8.9 p90 -118.84 148.85 42.43 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.536 1.147 . . . . 75.5 111.042 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . 0.419 ' CG ' ' HA2' ' A' ' 55' ' ' GLY . 38.8 tt0 -77.45 148.78 35.23 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.516 1.135 . . . . 73.310000000000002 110.267 -179.944 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . 0.447 ' OD1' ' N ' ' A' ' 54' ' ' ASP . 7.3 p30 -117.23 -174.13 2.54 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.493 1.121 . . . . 65.329999999999998 109.304 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -62.58 -31.33 72.13 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.526 1.141 . . . . 62.140000000000001 110.291 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . 0.447 ' N ' ' OD1' ' A' ' 52' ' ' ASP . 0.8 OUTLIER -84.75 7.38 20.82 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.457 1.098 . . . . 61.240000000000002 109.33 -179.994 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . 0.419 ' HA2' ' CG ' ' A' ' 51' ' ' GLN . . . 57.05 16.41 18.48 Favored Glycine 0 CA--C 1.531 1.074 0 O-C-N 124.501 1.126 . . . . 73.540000000000006 110.965 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -94.53 102.39 14.32 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.519 0.776 . . . . 73.209999999999994 109.333 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 3.6 p90 -44.53 117.19 1.21 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.505 1.128 . . . . 73.310000000000002 111.019 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.653 HG23 ' CE1' ' A' ' 50' ' ' TYR . 0.1 OUTLIER -118.8 136.67 55.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.459 1.1 . . . . 73.299999999999997 109.318 180.0 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 8.9 p -61.32 157.42 3.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.481 1.113 . . . . 64.420000000000002 109.318 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.781 HD21 HD21 ' A' ' 29' ' ' LEU . 5.2 tp -144.93 111.97 5.95 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.495 1.122 . . . . 75.129999999999995 109.311 179.933 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -155.44 23.26 0.57 Allowed Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.505 1.128 . . . . 23.120000000000001 110.996 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 2.3 p -152.31 174.73 13.45 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.543 0.79 . . . . 63.439999999999998 109.998 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -78.44 -29.83 47.19 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.508 1.13 . . . . 61.420000000000002 109.302 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . 0.488 ' O ' ' CG2' ' A' ' 68' ' ' VAL . 6.8 tt0 -71.48 -13.88 61.95 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.467 1.105 . . . . 74.540000000000006 110.316 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . 0.443 ' O ' ' HB2' ' A' ' 69' ' ' ALA . 0.6 OUTLIER -111.96 -15.55 13.29 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.496 1.123 . . . . 75.129999999999995 109.31 -179.997 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' TRP . . . . . 0.571 ' CZ2' ' NZ ' ' A' ' 70' ' ' LYS . 0.1 OUTLIER -94.3 -23.68 17.74 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.544 1.152 . . . . 74.5 108.009 -179.975 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 7.8 t30 -95.02 -50.24 5.18 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.49 1.119 . . . . 64.239999999999995 109.315 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.488 ' CG2' ' O ' ' A' ' 64' ' ' GLU . 87.2 t -61.15 -15.78 13.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.474 1.108 . . . . 73.340000000000003 109.283 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . 0.513 ' O ' HD23 ' A' ' 73' ' ' LEU . . . -84.88 -38.69 19.13 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.482 1.114 . . . . 73.120000000000005 109.284 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . 0.571 ' NZ ' ' CZ2' ' A' ' 66' ' ' TRP . 52.1 mttt -65.87 -55.45 16.94 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.543 1.152 . . . . 63.439999999999998 109.333 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 8.7 pt-20 -44.48 -26.29 0.34 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.472 1.108 . . . . 73.219999999999999 110.255 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' MET . . . . . 0.449 ' O ' ' ND2' ' A' ' 76' ' ' ASN . 0.7 OUTLIER -79.92 -39.87 29.4 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.49 1.119 . . . . 74.099999999999994 110.99 -179.989 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.873 HD13 ' CG ' ' A' ' 78' ' ' GLU . 0.4 OUTLIER -50.92 -62.95 1.3 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.539 1.149 . . . . 65.019999999999996 109.298 -179.974 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -49.87 -31.62 12.48 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.519 1.137 . . . . 72.219999999999999 109.314 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 7.6 mt-10 -75.36 -30.51 60.22 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.549 1.156 . . . . 75.230000000000004 110.26 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' ASN . . . . . 0.729 ' N ' HD22 ' A' ' 76' ' ' ASN . 0.8 OUTLIER -88.12 11.9 15.02 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.572 1.17 . . . . 51.399999999999999 109.328 -179.978 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 3.6 m-80 40.42 36.11 0.33 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.517 1.136 . . . . 65.299999999999997 109.329 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . 0.873 ' CG ' HD13 ' A' ' 73' ' ' LEU . 7.8 pt-20 -113.91 144.78 42.48 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.482 1.113 . . . . 72.129999999999995 110.332 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 5.7 mtmp? -111.38 19.74 17.95 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.52 1.138 . . . . 65.400000000000006 109.311 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 3.1 p90 -141.44 158.12 44.28 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.49 1.119 . . . . 75.409999999999997 111.05 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.858 HD13 ' N ' ' A' ' 82' ' ' ASN . 1.5 tm? -133.19 164.11 27.79 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.458 1.099 . . . . 63.130000000000003 109.296 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' ASN . . . . . 0.858 ' N ' HD13 ' A' ' 81' ' ' LEU . 1.1 t30 -132.09 138.2 48.04 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.492 1.12 . . . . 73.040000000000006 109.319 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . 0.565 HG13 ' CD2' ' A' ' 7' ' ' PHE . 25.9 mm -131.09 136.43 57.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.491 1.12 . . . . 74.120000000000005 109.306 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 23.1 ttt180 -111.57 150.06 30.56 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.488 1.118 . . . . 65.439999999999998 110.337 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 1.082 HD21 HG22 ' A' ' 48' ' ' ILE . 96.0 mt -134.17 127.31 31.75 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.543 1.152 . . . . 75.109999999999999 109.276 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' TYR . . . . . 0.506 ' CD1' ' O ' ' A' ' 86' ' ' TYR . 10.9 t80 . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.526 1.141 . . . . 72.510000000000005 111.004 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 N--CA 1.453 -0.897 0 N-CA-C 111.041 -0.407 . . . . 61.399999999999999 111.041 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 35.2 mt -80.04 -20.8 44.46 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.527 1.142 . . . . 74.0 109.331 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -83.62 70.14 3.23 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.573 1.17 . . . . 73.349999999999994 110.987 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . 0.734 ' HB2' HD11 ' A' ' 19' ' ' LEU . 0.7 OUTLIER -157.24 178.43 10.34 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.468 0.746 . . . . 75.349999999999994 110.0 -179.959 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.496 ' CG2' ' N ' ' A' ' 6' ' ' LEU . 7.8 mt -118.78 164.08 15.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.478 1.112 . . . . 72.120000000000005 109.261 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.717 HD22 ' H ' ' A' ' 7' ' ' PHE . 1.9 tm? -123.06 147.05 47.15 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.506 1.129 . . . . 74.120000000000005 109.253 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . 1.145 ' CE2' HG11 ' A' ' 20' ' ' VAL . 15.5 m-85 -136.63 116.27 12.95 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.484 1.115 . . . . 75.209999999999994 110.974 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . 0.453 ' HB2' ' CG2' ' A' ' 15' ' ' ILE . 4.2 ptm180 -86.69 53.41 2.81 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.449 1.093 . . . . 71.099999999999994 110.315 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.834 ' CG2' HD12 ' A' ' 85' ' ' LEU . 5.8 mt -44.11 111.38 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.505 1.128 . . . . 71.129999999999995 109.31 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . 0.707 ' HB2' HD13 ' A' ' 15' ' ' ILE . 0.3 OUTLIER -109.17 141.02 41.99 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.526 1.141 . . . . 65.310000000000002 109.988 -179.973 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . 0.478 ' CG ' ' N ' ' A' ' 12' ' ' ASN . 74.1 t80 -143.19 175.54 9.81 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.496 1.122 . . . . 71.530000000000001 110.971 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . 0.478 ' N ' ' CG ' ' A' ' 11' ' ' TYR . 28.7 t30 -39.11 -29.5 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.5 1.125 . . . . 70.0 109.306 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . 0.46 ' N ' ' O ' ' A' ' 11' ' ' TYR . 45.5 t -71.8 -76.18 0.12 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.515 1.134 . . . . 43.329999999999998 109.95 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . 0.556 ' HG2' ' CE1' ' A' ' 16' ' ' PHE . 1.8 pt-20 -170.08 -159.11 0.19 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.502 1.126 . . . . 72.120000000000005 110.299 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.707 HD13 ' HB2' ' A' ' 10' ' ' SER . 1.7 mm -91.64 134.81 28.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.49 1.119 . . . . 55.530000000000001 109.315 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . 0.556 ' CE1' ' HG2' ' A' ' 14' ' ' GLU . 25.1 m-85 -129.94 130.0 44.53 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.489 1.118 . . . . 73.329999999999998 110.981 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.539 ' HB ' HD21 ' A' ' 6' ' ' LEU . 2.2 p -97.05 129.04 44.54 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.488 1.117 . . . . 62.009999999999998 110.399 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.694 HD23 ' C ' ' A' ' 18' ' ' LEU . 4.2 tt -132.01 124.85 30.14 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.464 1.103 . . . . 74.099999999999994 109.348 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.734 HD11 ' HB2' ' A' ' 4' ' ' SER . 0.3 OUTLIER -80.77 113.5 19.01 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.486 1.116 . . . . 64.510000000000005 109.298 -179.963 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 1.145 HG11 ' CE2' ' A' ' 7' ' ' PHE . 14.3 p -106.49 140.21 25.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.504 1.128 . . . . 74.439999999999998 109.307 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.567 ' HB2' ' CD1' ' A' ' 24' ' ' TRP . 53.3 mt-10 -81.17 161.46 24.03 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.511 1.132 . . . . 75.109999999999999 110.302 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . 0.44 ' CG ' ' HA ' ' A' ' 4' ' ' SER . 0.6 OUTLIER -89.38 14.93 10.05 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.478 1.111 . . . . 73.019999999999996 109.316 179.995 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.506 HG13 ' CD1' ' A' ' 24' ' ' TRP . 0.2 OUTLIER -115.09 -37.33 2.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 O-C-N 124.46 1.1 . . . . 50.439999999999998 109.322 179.98 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' TRP . . . . . 0.567 ' CD1' ' HB2' ' A' ' 21' ' ' GLU . 9.1 m0 -58.31 105.41 0.28 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.552 1.157 . . . . 74.109999999999999 107.965 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . 0.511 ' HA ' ' CE2' ' A' ' 66' ' ' TRP . 20.1 p-10 -62.89 -178.68 0.22 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.527 1.142 . . . . 72.140000000000001 109.318 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . 0.432 ' CD1' ' N ' ' A' ' 27' ' ' ASP . 36.9 p90 -50.19 -36.15 29.41 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.489 1.118 . . . . 73.230000000000004 111.002 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . 0.432 ' N ' ' CD1' ' A' ' 26' ' ' PHE . 15.1 t70 -66.89 -73.0 0.14 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.483 1.114 . . . . 71.030000000000001 109.298 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . 0.416 ' CB ' ' HB3' ' A' ' 24' ' ' TRP . 43.1 m-20 -42.45 -32.98 0.6 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.52 1.137 . . . . 63.450000000000003 109.306 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.855 HD21 HD11 ' A' ' 48' ' ' ILE . 5.4 tp -57.8 -53.46 58.0 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.477 1.11 . . . . 55.350000000000001 109.316 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.689 HG23 ' HA ' ' A' ' 46' ' ' THR . 17.5 mm -56.95 -51.14 72.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.496 1.122 . . . . 74.129999999999995 109.278 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 50.4 mmm -57.53 -27.07 62.28 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.564 1.165 . . . . 74.319999999999993 111.03 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . 0.562 ' HB3' ' O ' ' A' ' 29' ' ' LEU . . . -64.37 -54.76 27.77 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.506 1.129 . . . . 75.219999999999999 109.286 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.731 HD12 ' O ' ' A' ' 29' ' ' LEU . 5.0 mp -62.77 -43.2 98.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.539 1.149 . . . . 72.450000000000003 109.285 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 1.5 m-80 -62.49 -15.35 49.6 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.527 1.142 . . . . 73.019999999999996 109.302 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 8.5 t -87.23 -45.41 10.66 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.484 1.115 . . . . 61.340000000000003 110.001 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 0.569 ' HG2' HD12 ' A' ' 18' ' ' LEU . 0.0 OUTLIER -65.46 -46.07 81.24 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.505 1.128 . . . . 72.049999999999997 109.286 -179.977 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.637 HG23 ' O ' ' A' ' 33' ' ' ILE . 1.4 pt -75.79 -15.6 15.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.48 1.113 . . . . 70.099999999999994 109.317 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . 0.573 ' OG ' ' CE1' ' A' ' 41' ' ' HIS . 20.5 t -39.5 -34.09 0.2 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.124 . . . . 54.210000000000001 109.985 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 1.5 t30 -42.47 -52.05 4.82 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.548 1.155 . . . . 73.239999999999995 109.303 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 73.1 p -57.38 -66.31 0.48 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.52 1.137 . . . . 63.420000000000002 110.374 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' HIS . . . . . 0.573 ' CE1' ' OG ' ' A' ' 38' ' ' SER . 3.7 m-70 65.93 29.91 10.07 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.464 1.103 . . . . 75.099999999999994 109.577 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.647 HD12 ' HB2' ' A' ' 43' ' ' SER . 1.4 pp -113.23 -34.99 2.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.512 1.132 . . . . 44.109999999999999 109.353 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . 0.647 ' HB2' HD12 ' A' ' 42' ' ' ILE . 1.9 t -175.19 93.85 0.28 Allowed Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.477 1.111 . . . . 62.399999999999999 110.032 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . 0.55 ' HA ' HD11 ' A' ' 37' ' ' ILE . 18.5 Cg_endo -74.96 -162.22 0.14 Allowed 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.477 1.777 . . . . 64.120000000000005 111.025 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . 0.723 HD12 ' O ' ' A' ' 45' ' ' ILE . 1.4 pp -153.33 113.69 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.489 1.118 . . . . 74.040000000000006 109.26 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . 0.689 ' HA ' HG23 ' A' ' 30' ' ' ILE . 38.6 p -91.63 35.04 0.95 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.49 1.119 . . . . 72.409999999999997 110.348 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . 0.436 ' O ' ' CG ' ' A' ' 47' ' ' LYS . 8.6 pttp -157.52 114.38 2.97 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.516 1.135 . . . . 53.340000000000003 109.331 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.855 HD11 HD21 ' A' ' 29' ' ' LEU . 7.5 pt -109.41 128.86 65.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.533 1.145 . . . . 71.340000000000003 109.309 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . 0.425 ' HD3' ' CB ' ' A' ' 57' ' ' PHE . 16.5 ttmm -95.34 103.49 15.36 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.491 1.12 . . . . 73.120000000000005 109.281 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' TYR . . . . . 0.876 ' HB2' HD11 ' A' ' 81' ' ' LEU . 8.7 p90 -95.53 146.98 24.04 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.487 1.117 . . . . 74.129999999999995 111.015 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 62.7 tt0 -73.95 152.2 40.16 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.473 1.108 . . . . 73.120000000000005 110.293 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . 0.44 ' OD2' ' CB ' ' A' ' 54' ' ' ASP . 9.8 p-10 -112.53 -177.55 3.18 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.519 1.137 . . . . 71.5 109.315 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . 0.401 ' N ' ' SD ' ' A' ' 72' ' ' MET . 17.4 pt-20 -64.77 -47.52 77.84 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.516 1.135 . . . . 74.540000000000006 110.251 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . 0.44 ' CB ' ' OD2' ' A' ' 52' ' ' ASP . 4.0 t0 -46.74 -28.64 1.58 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.518 1.136 . . . . 61.420000000000002 109.273 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 101.58 14.02 30.99 Favored Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.475 1.109 . . . . 61.299999999999997 110.992 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 15.2 t0 -104.63 -177.11 3.27 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.499 0.764 . . . . 70.340000000000003 109.331 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . 0.425 ' CB ' ' HD3' ' A' ' 49' ' ' LYS . 20.2 m-85 -108.94 139.39 43.86 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.522 1.139 . . . . 73.319999999999993 111.027 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -138.48 138.31 42.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.529 1.143 . . . . 50.43 109.262 -179.948 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 46.1 t -69.14 142.9 15.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.488 1.118 . . . . 74.030000000000001 109.345 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.815 HD21 ' CD2' ' A' ' 29' ' ' LEU . 0.3 OUTLIER -126.57 104.48 8.14 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.496 1.122 . . . . 74.310000000000002 109.314 -179.978 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . 0.503 ' N ' HD12 ' A' ' 60' ' ' LEU . . . -144.22 21.72 2.08 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.539 1.149 . . . . 63.240000000000002 110.965 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 1.4 m -147.56 175.78 10.59 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.487 0.757 . . . . 74.209999999999994 110.012 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . 0.444 ' O ' ' N ' ' A' ' 67' ' ' ASN . 1.1 p-10 -74.36 -29.56 61.62 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.495 1.122 . . . . 71.0 109.31 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . 0.631 ' O ' HG23 ' A' ' 68' ' ' VAL . 3.0 tt0 -66.88 -37.96 85.4 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.527 1.142 . . . . 73.219999999999999 110.327 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 9.0 m-20 -86.62 -14.29 43.15 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.5 1.125 . . . . 75.540000000000006 109.316 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' TRP . . . . . 0.597 ' CZ3' ' OD1' ' A' ' 67' ' ' ASN . 5.5 t90 -95.57 -19.18 19.99 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.52 1.138 . . . . 72.329999999999998 107.948 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . 0.597 ' OD1' ' CZ3' ' A' ' 66' ' ' TRP . 58.3 m-20 -98.38 -47.88 5.25 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.478 1.111 . . . . 65.420000000000002 109.282 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.631 HG23 ' O ' ' A' ' 64' ' ' GLU . 85.4 t -62.73 -30.52 49.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.483 1.115 . . . . 54.450000000000003 109.312 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . 0.489 ' HB2' ' CE2' ' A' ' 50' ' ' TYR . . . -73.47 -20.31 60.73 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.426 1.079 . . . . 75.409999999999997 109.292 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 5.1 mtmp? -87.95 -56.59 3.27 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.48 1.112 . . . . 72.120000000000005 109.288 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 20.4 pt-20 -49.44 -30.86 8.7 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.553 1.158 . . . . 62.409999999999997 110.326 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' MET . . . . . 0.427 ' O ' ' N ' ' A' ' 75' ' ' GLU . 5.7 ttp -64.94 -46.58 81.0 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.499 1.124 . . . . 75.409999999999997 111.051 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.836 HD21 HD23 ' A' ' 81' ' ' LEU . 4.1 mt -45.89 -45.55 15.32 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.492 1.12 . . . . 52.229999999999997 109.286 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -64.15 -36.83 85.34 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.466 1.104 . . . . 72.150000000000006 109.285 -179.937 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . 0.427 ' N ' ' O ' ' A' ' 72' ' ' MET . 10.1 mm-40 -74.79 -21.65 59.19 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.477 1.11 . . . . 72.230000000000004 110.328 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' ASN . . . . . 0.493 ' CB ' ' OE1' ' A' ' 78' ' ' GLU . 2.0 m-80 -95.86 -14.21 23.37 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.479 1.112 . . . . 52.149999999999999 109.264 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 8.3 m-80 61.39 33.9 18.55 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.53 1.144 . . . . 72.140000000000001 109.266 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . 0.493 ' OE1' ' CB ' ' A' ' 76' ' ' ASN . 9.1 pt-20 -109.82 168.34 9.49 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.528 1.143 . . . . 74.319999999999993 110.321 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 30.2 mmtp -126.4 18.21 7.58 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.487 1.117 . . . . 71.310000000000002 109.299 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 26.4 p90 -141.69 166.91 23.45 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.511 1.132 . . . . 71.040000000000006 110.957 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.876 HD11 ' HB2' ' A' ' 50' ' ' TYR . 2.1 tm? -143.94 150.55 38.51 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 72.25 109.322 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' ASN . . . . . 0.711 ' N ' HD13 ' A' ' 81' ' ' LEU . 1.0 OUTLIER -107.12 148.09 29.24 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.486 1.116 . . . . 61.119999999999997 109.332 179.936 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . 0.711 HD13 ' HA ' ' A' ' 50' ' ' TYR . 38.6 mm -137.65 157.1 33.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.481 1.113 . . . . 73.129999999999995 109.258 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 32.7 ttt-85 -132.74 148.1 52.33 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.491 1.119 . . . . 75.030000000000001 110.28 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.834 HD12 ' CG2' ' A' ' 9' ' ' ILE . 12.9 mt -140.14 122.04 15.54 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.457 1.098 . . . . 64.200000000000003 109.297 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' TYR . . . . . 0.62 ' CE1' HG21 ' A' ' 45' ' ' ILE . 1.6 p90 . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 74.430000000000007 111.008 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo . . . . . 0 N--CA 1.453 -0.888 0 N-CA-C 111.02 -0.416 . . . . 65.129999999999995 111.02 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . 0.547 ' H ' HD12 ' A' ' 2' ' ' LEU . 0.7 OUTLIER -96.42 -51.87 4.19 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.495 1.122 . . . . 65.310000000000002 109.319 179.957 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 38.04 48.61 2.03 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.464 1.103 . . . . 44.439999999999998 110.97 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -133.38 152.55 51.93 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.53 0.782 . . . . 73.439999999999998 110.037 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.412 HG13 ' CE ' ' A' ' 22' ' ' LYS . 18.5 mt -130.3 144.84 36.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.52 1.137 . . . . 70.140000000000001 109.287 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.902 HD13 ' N ' ' A' ' 7' ' ' PHE . 3.2 tm? -100.63 148.6 24.66 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.466 1.104 . . . . 64.150000000000006 109.31 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . 0.902 ' N ' HD13 ' A' ' 6' ' ' LEU . 1.6 m-85 -124.82 115.3 20.46 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.505 1.128 . . . . 54.149999999999999 111.029 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . 0.469 ' HG2' ' CG2' ' A' ' 15' ' ' ILE . 10.3 ttp180 -94.13 81.2 4.07 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.471 1.107 . . . . 65.140000000000001 110.295 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.647 ' H ' HD12 ' A' ' 9' ' ' ILE . 4.6 mp -65.61 166.83 1.34 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.526 1.141 . . . . 74.140000000000001 109.302 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . 0.506 ' N ' HG22 ' A' ' 9' ' ' ILE . 0.1 OUTLIER -164.81 145.6 7.65 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.527 1.142 . . . . 72.030000000000001 110.047 179.989 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . 0.467 ' C ' ' N ' ' A' ' 13' ' ' SER . 41.1 t80 -150.71 178.12 9.42 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.504 1.127 . . . . 72.420000000000002 110.964 -179.927 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . 0.409 ' C ' ' O ' ' A' ' 11' ' ' TYR . 88.4 m-20 -39.77 -29.22 0.06 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.511 1.132 . . . . 62.420000000000002 109.283 179.943 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . 0.467 ' N ' ' C ' ' A' ' 11' ' ' TYR . 3.9 t -73.35 -95.67 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.441 1.088 . . . . 71.030000000000001 109.991 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 81.0 mm-40 -141.53 -171.58 3.34 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.445 1.091 . . . . 73.209999999999994 110.3 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.469 ' CG2' ' HG2' ' A' ' 8' ' ' ARG . 1.0 OUTLIER -103.91 122.31 56.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.472 1.107 . . . . 54.140000000000001 109.269 179.996 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 56.5 m-85 -116.21 175.85 5.36 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.466 1.104 . . . . 70.329999999999998 110.97 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 37.0 p -126.54 154.15 44.23 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.514 1.134 . . . . 74.430000000000007 110.419 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.82 HD23 ' HE2' ' A' ' 36' ' ' LYS . 1.3 tm? -156.09 123.97 5.63 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.467 1.104 . . . . 72.409999999999997 109.298 -179.952 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.656 HD13 ' N ' ' A' ' 20' ' ' VAL . 0.2 OUTLIER -78.02 121.51 24.33 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.554 1.159 . . . . 64.430000000000007 109.322 179.944 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.656 ' N ' HD13 ' A' ' 19' ' ' LEU . 13.4 p -125.62 115.2 42.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.453 1.095 . . . . 71.030000000000001 109.316 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.529 ' HB3' HG12 ' A' ' 23' ' ' VAL . 29.4 mm-40 -57.24 168.9 0.65 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.521 1.138 . . . . 74.340000000000003 110.28 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . 0.412 ' CE ' HG13 ' A' ' 5' ' ' ILE . 69.9 mttt -89.59 15.15 9.94 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.448 1.092 . . . . 72.340000000000003 109.267 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.529 HG12 ' HB3' ' A' ' 21' ' ' GLU . 0.2 OUTLIER -112.92 -37.19 2.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.521 1.138 . . . . 64.400000000000006 109.307 -179.981 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' TRP . . . . . 0.49 ' CD1' ' HB2' ' A' ' 21' ' ' GLU . 10.8 m0 -55.94 94.49 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 107.992 -1.114 . . . . 65.329999999999998 107.992 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . 0.435 ' OD1' ' N ' ' A' ' 25' ' ' ASN . 3.3 p-10 -53.8 176.05 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.478 1.111 . . . . 74.430000000000007 109.291 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . 0.41 ' CG ' ' N ' ' A' ' 27' ' ' ASP . 12.5 p90 -50.43 -34.13 23.47 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.531 1.144 . . . . 73.329999999999998 110.952 -179.947 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . 0.41 ' N ' ' CG ' ' A' ' 26' ' ' PHE . 33.6 t0 -64.35 -64.83 0.78 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.504 1.127 . . . . 71.109999999999999 109.299 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -55.61 -23.96 30.52 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.512 1.132 . . . . 75.409999999999997 109.253 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.584 HD12 ' CD1' ' A' ' 33' ' ' ILE . 4.4 tp -70.6 -56.27 6.89 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.535 1.147 . . . . 51.119999999999997 109.297 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.693 HD11 HG12 ' A' ' 48' ' ' ILE . 18.9 mm -60.7 -20.17 20.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.491 1.119 . . . . 74.329999999999998 109.352 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 8.2 mmt -92.86 -23.96 18.63 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.511 1.132 . . . . 60.420000000000002 111.004 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -71.8 -48.49 46.05 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.504 1.128 . . . . 64.030000000000001 109.315 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.584 ' CD1' HD12 ' A' ' 29' ' ' LEU . 4.1 mp -73.24 -42.21 58.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.516 1.135 . . . . 62.149999999999999 109.282 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . 0.433 ' ND2' ' O ' ' A' ' 30' ' ' ILE . 0.9 OUTLIER -53.71 -25.86 20.43 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.525 1.141 . . . . 73.239999999999995 109.291 -179.991 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . 0.464 ' O ' ' CB ' ' A' ' 38' ' ' SER . 16.9 t -79.31 -47.03 16.57 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.45 1.094 . . . . 51.310000000000002 110.01 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 0.82 ' HE2' HD23 ' A' ' 18' ' ' LEU . 7.7 mptt -59.46 -38.52 80.98 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.496 1.122 . . . . 72.310000000000002 109.36 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.698 ' O ' HG22 ' A' ' 40' ' ' THR . 2.6 pt -80.38 -15.67 12.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.548 1.155 . . . . 73.5 109.287 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . 0.464 ' CB ' ' O ' ' A' ' 35' ' ' SER . 8.7 t -40.87 -28.99 0.09 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.437 1.086 . . . . 61.130000000000003 109.99 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . 0.428 ' N ' ' C ' ' A' ' 37' ' ' ILE . 0.7 OUTLIER -40.57 -53.52 2.7 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.447 1.092 . . . . 31.010000000000002 109.298 -179.992 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . 0.698 HG22 ' O ' ' A' ' 37' ' ' ILE . 4.9 t -71.93 137.84 47.67 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.499 1.124 . . . . 60.130000000000003 110.373 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -101.64 18.51 20.13 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.466 1.104 . . . . 54.109999999999999 109.588 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.49 ' O ' ' CB ' ' A' ' 43' ' ' SER . 7.6 pt -81.94 -51.96 14.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.482 1.113 . . . . 72.549999999999997 109.289 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . 0.49 ' CB ' ' O ' ' A' ' 42' ' ' ILE . 2.0 t 159.85 141.4 0.01 OUTLIER Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.467 1.104 . . . . 63.43 110.013 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 -162.22 0.14 Allowed 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.534 1.807 . . . . 75.150000000000006 111.029 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . 0.766 HG12 HD22 ' A' ' 85' ' ' LEU . 1.2 pp -146.03 113.71 1.26 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.468 1.105 . . . . 71.120000000000005 109.282 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . 0.418 ' O ' HD12 ' A' ' 30' ' ' ILE . 3.0 p -75.96 -34.19 59.82 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.126 . . . . 71.030000000000001 110.35 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -95.83 120.82 36.76 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.474 1.109 . . . . 64.540000000000006 109.318 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.693 HG12 HD11 ' A' ' 30' ' ' ILE . 17.7 pt -116.47 151.71 18.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.546 1.154 . . . . 64.019999999999996 109.317 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 2.8 ttmp? -114.83 111.81 21.79 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.504 1.128 . . . . 54.32 109.289 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' TYR . . . . . 0.622 ' HA ' HD13 ' A' ' 83' ' ' ILE . 12.9 p90 -107.58 152.54 24.12 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.483 1.114 . . . . 73.540000000000006 110.959 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 34.5 tt0 -75.27 145.46 41.87 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.541 1.151 . . . . 65.519999999999996 110.297 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 27.8 p30 -108.41 -179.32 3.84 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.488 1.117 . . . . 74.040000000000006 109.334 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . 0.452 ' CA ' ' HG3' ' A' ' 72' ' ' MET . 1.8 pp20? -61.42 -35.36 77.33 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.127 . . . . 74.329999999999998 110.304 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 14.5 t0 -64.22 -15.92 60.96 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.502 1.126 . . . . 72.540000000000006 109.345 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 86.8 9.51 74.4 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.548 1.155 . . . . 65.349999999999994 111.017 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 9.7 m-20 -95.49 175.72 6.45 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.514 0.773 . . . . 64.329999999999998 109.277 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . 0.559 ' N ' ' CD1' ' A' ' 57' ' ' PHE . 0.6 OUTLIER -101.07 122.57 43.79 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.505 1.128 . . . . 72.409999999999997 111.046 179.971 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.527 HG23 ' CE1' ' A' ' 50' ' ' TYR . 2.0 m -125.43 153.62 33.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.542 1.152 . . . . 73.430000000000007 109.296 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 11.3 p -75.7 158.66 5.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.472 1.107 . . . . 43.420000000000002 109.315 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.712 HD12 ' N ' ' A' ' 61' ' ' GLY . 0.3 OUTLIER -150.05 114.67 5.26 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.555 1.159 . . . . 72.439999999999998 109.318 179.99 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . 0.712 ' N ' HD12 ' A' ' 60' ' ' LEU . . . -152.73 22.66 0.81 Allowed Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.458 1.099 . . . . 74.030000000000001 111.023 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 10.5 p -150.39 174.06 13.31 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.462 0.743 . . . . 55.25 109.969 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -74.34 -30.03 61.85 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.527 1.142 . . . . 74.299999999999997 109.316 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . 0.497 ' O ' ' CG2' ' A' ' 68' ' ' VAL . 34.4 mt-10 -69.02 -16.53 63.74 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.496 1.122 . . . . 74.5 110.304 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 21.9 m-20 -108.33 -17.59 13.96 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.121 . . . . 52.119999999999997 109.346 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' TRP . . . . . 0.536 ' CZ2' ' HE3' ' A' ' 70' ' ' LYS . 0.1 OUTLIER -90.62 -23.7 20.74 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.508 1.13 . . . . 75.209999999999994 108.031 179.956 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 7.8 t30 -93.71 -46.17 7.36 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.519 1.137 . . . . 64.5 109.304 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.497 ' CG2' ' O ' ' A' ' 64' ' ' GLU . 52.9 t -61.9 -27.14 41.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.496 1.122 . . . . 73.109999999999999 109.31 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . 0.426 ' HB2' ' CE2' ' A' ' 50' ' ' TYR . . . -72.11 -39.84 68.61 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.483 1.114 . . . . 73.450000000000003 109.283 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . 0.536 ' HE3' ' CZ2' ' A' ' 66' ' ' TRP . 37.0 mttm -63.19 -38.26 90.48 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.539 1.149 . . . . 73.299999999999997 109.275 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 72.8 mm-40 -56.74 -28.08 60.48 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.476 1.11 . . . . 73.239999999999995 110.329 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' MET . . . . . 0.452 ' HG3' ' CA ' ' A' ' 53' ' ' GLU . 1.0 OUTLIER -69.25 -42.15 75.99 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.514 1.134 . . . . 63.030000000000001 110.987 -179.964 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.693 HD13 ' HG3' ' A' ' 78' ' ' GLU . 0.4 OUTLIER -59.54 -49.38 78.01 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.495 1.122 . . . . 64.019999999999996 109.283 179.994 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -62.16 -15.45 46.18 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.496 1.123 . . . . 73.420000000000002 109.328 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 24.9 mm-40 -98.0 -26.48 14.62 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.496 1.122 . . . . 71.409999999999997 110.332 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' ASN . . . . . 0.442 ' C ' ' N ' ' A' ' 78' ' ' GLU . 2.2 m-80 -94.44 13.74 22.88 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.49 1.119 . . . . 74.019999999999996 109.306 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 3.2 m-80 40.47 30.01 0.07 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.503 1.127 . . . . 62.539999999999999 109.297 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . 0.693 ' HG3' HD13 ' A' ' 73' ' ' LEU . 15.4 pt-20 -118.69 165.31 14.14 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.466 1.104 . . . . 64.329999999999998 110.303 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . 0.408 ' NZ ' ' HB3' ' A' ' 79' ' ' LYS . 1.8 mtmp? -125.44 15.35 8.26 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.52 1.138 . . . . 61.439999999999998 109.292 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' PHE . . . . . 0.654 ' O ' HD11 ' A' ' 73' ' ' LEU . 6.1 p90 -120.14 152.53 37.5 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.521 1.138 . . . . 73.540000000000006 111.013 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.771 HD23 ' H ' ' A' ' 82' ' ' ASN . 0.6 OUTLIER -135.41 169.28 17.73 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.486 1.116 . . . . 62.219999999999999 109.317 -179.996 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' ASN . . . . . 0.771 ' H ' HD23 ' A' ' 81' ' ' LEU . 1.1 p-10 -140.44 137.22 33.77 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.455 1.097 . . . . 74.310000000000002 109.294 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . 0.622 HD13 ' HA ' ' A' ' 50' ' ' TYR . 8.1 mm -129.03 143.59 40.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.468 1.105 . . . . 75.549999999999997 109.337 179.943 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 38.7 ttm-85 -118.49 145.02 45.61 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.557 1.16 . . . . 62.340000000000003 110.325 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.766 HD22 HG12 ' A' ' 45' ' ' ILE . 37.1 mt -130.42 131.06 45.06 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.531 1.144 . . . . 73.129999999999995 109.276 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 2.5 t80 . . . . . 0 C--N 1.325 -0.493 0 O-C-N 124.509 1.13 . . . . 62.32 111.04 179.983 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 N--CA 1.453 -0.867 0 N-CA-C 111.006 -0.421 . . . . 75.329999999999998 111.006 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -135.19 145.59 47.86 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.503 1.127 . . . . 73.010000000000005 109.335 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 113.18 -17.94 21.53 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.451 1.094 . . . . 62.119999999999997 110.991 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . 0.454 ' HB2' HD11 ' A' ' 19' ' ' LEU . 0.4 OUTLIER -134.26 168.92 17.99 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.506 0.768 . . . . 65.140000000000001 109.919 -179.92 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 18.1 mt -135.27 143.94 35.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.469 1.106 . . . . 74.420000000000002 109.318 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 5.1 tp -94.8 142.24 27.7 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.552 1.157 . . . . 74.109999999999999 109.327 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . 0.584 ' CE1' HG11 ' A' ' 20' ' ' VAL . 2.3 m-30 -118.49 92.43 3.81 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.566 1.166 . . . . 44.310000000000002 111.01 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 4.0 mtt180 -59.14 109.8 0.93 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.52 1.138 . . . . 64.239999999999995 110.322 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.773 HG23 HD22 ' A' ' 85' ' ' LEU . 19.9 mm -86.28 96.95 5.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.454 1.096 . . . . 65.329999999999998 109.278 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 38.0 m -96.99 117.27 30.78 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.541 1.151 . . . . 75.230000000000004 110.041 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . 0.474 ' CD1' ' O ' ' A' ' 85' ' ' LEU . 4.3 t80 -109.4 -168.29 1.31 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.474 1.109 . . . . 60.329999999999998 110.998 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . 0.423 ' ND2' ' O ' ' A' ' 86' ' ' TYR . 0.7 OUTLIER -44.95 -61.31 1.66 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.473 1.108 . . . . 71.299999999999997 109.301 179.969 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 3.1 m -145.23 19.41 1.57 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.499 1.124 . . . . 72.400000000000006 109.983 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . 0.432 ' CG ' ' HB3' ' A' ' 11' ' ' TYR . 4.9 pt-20 -130.47 131.07 44.98 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.55 1.156 . . . . 70.129999999999995 110.299 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.412 ' HA ' ' O ' ' A' ' 9' ' ' ILE . 5.4 mm -107.11 155.02 7.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.489 1.118 . . . . 61.109999999999999 109.264 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . 0.506 ' CB ' ' HB ' ' A' ' 9' ' ' ILE . 0.1 OUTLIER -141.21 -169.16 2.79 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.495 1.122 . . . . 74.25 110.982 179.956 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 2.0 p -149.8 126.47 11.0 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.468 1.105 . . . . 60.119999999999997 110.387 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.683 HD23 ' C ' ' A' ' 18' ' ' LEU . 4.5 tt -134.23 124.19 25.54 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.514 1.134 . . . . 72.230000000000004 109.303 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.52 HD13 ' N ' ' A' ' 20' ' ' VAL . 0.1 OUTLIER -87.04 120.26 28.12 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.524 1.14 . . . . 72.209999999999994 109.314 179.969 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.584 HG11 ' CE1' ' A' ' 7' ' ' PHE . 9.7 p -125.13 118.21 52.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.548 1.155 . . . . 60.520000000000003 109.25 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.545 ' HB2' ' CD1' ' A' ' 24' ' ' TRP . 15.3 mm-40 -65.71 168.66 7.38 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.458 1.099 . . . . 74.120000000000005 110.324 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 27.6 mttt -87.5 11.53 14.58 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.469 1.106 . . . . 74.299999999999997 109.345 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.527 HG12 ' HB3' ' A' ' 21' ' ' GLU . 0.2 OUTLIER -111.46 -30.74 2.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.495 1.122 . . . . 64.019999999999996 109.295 179.978 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' TRP . . . . . 0.545 ' CD1' ' HB2' ' A' ' 21' ' ' GLU . 23.4 m0 -57.41 111.84 1.22 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.538 1.149 . . . . 63.119999999999997 107.996 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 10.8 p-10 -72.08 -179.3 2.73 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.467 1.104 . . . . 75.120000000000005 109.255 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . 0.415 ' CG ' ' N ' ' A' ' 27' ' ' ASP . 51.7 p90 -51.89 -39.17 58.6 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.506 1.129 . . . . 71.420000000000002 111.009 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . 0.415 ' N ' ' CG ' ' A' ' 26' ' ' PHE . 2.0 t70 -60.6 -63.12 1.41 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.428 1.08 . . . . 74.349999999999994 109.316 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 14.5 m-20 -54.55 -29.83 52.13 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.529 1.143 . . . . 73.329999999999998 109.292 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.696 ' CD2' HD21 ' A' ' 60' ' ' LEU . 0.9 OUTLIER -61.86 -61.51 2.44 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.483 1.114 . . . . 71.530000000000001 109.344 -179.996 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.455 ' HA ' HD13 ' A' ' 30' ' ' ILE . 24.3 mm -51.46 -48.19 34.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.476 1.11 . . . . 63.0 109.319 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 12.7 mmm -62.7 -19.3 63.75 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.477 1.111 . . . . 63.450000000000003 110.998 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . 0.655 ' HB3' ' O ' ' A' ' 29' ' ' LEU . . . -69.49 -64.15 0.93 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.509 1.131 . . . . 55.200000000000003 109.311 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.763 HG23 HD21 ' A' ' 85' ' ' LEU . 4.1 mp -59.15 -36.94 65.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.463 1.102 . . . . 73.099999999999994 109.287 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 1.3 m-80 -62.63 -14.81 47.49 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.517 1.135 . . . . 62.210000000000001 109.326 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 5.5 t -81.57 -39.24 24.88 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.526 1.141 . . . . 74.450000000000003 109.978 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -74.18 -40.94 62.2 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.503 1.127 . . . . 74.430000000000007 109.273 -179.941 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.473 HD12 HG13 ' A' ' 45' ' ' ILE . 0.3 OUTLIER -86.66 -1.56 7.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.496 1.122 . . . . 74.329999999999998 109.287 -179.978 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 32.4 t -40.09 -29.58 0.08 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.457 1.098 . . . . 73.099999999999994 109.978 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . 0.437 ' N ' ' C ' ' A' ' 37' ' ' ILE . 11.6 t30 -55.98 -51.08 69.0 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.454 1.096 . . . . 75.230000000000004 109.266 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . 0.427 ' N ' ' O ' ' A' ' 37' ' ' ILE . 41.3 p -87.36 66.31 9.08 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.5 1.125 . . . . 74.109999999999999 110.4 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 15.0 p80 -77.63 -0.49 26.75 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.559 1.162 . . . . 72.099999999999994 109.565 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.599 ' H ' HD13 ' A' ' 42' ' ' ILE . 0.2 OUTLIER -68.41 -34.07 63.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.479 1.112 . . . . 73.030000000000001 109.276 179.999 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 1.5 m -169.14 84.31 0.65 Allowed Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.516 1.135 . . . . 75.340000000000003 110.042 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 -162.33 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.476 1.777 . . . . 72.230000000000004 110.986 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . 0.7 HD12 ' O ' ' A' ' 45' ' ' ILE . 1.4 pp -118.95 126.19 75.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.441 1.088 . . . . 63.130000000000003 109.3 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 9.8 p -89.86 -12.8 37.97 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.491 1.12 . . . . 50.240000000000002 110.4 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 1.4 ptmm? -139.85 122.55 16.38 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.496 1.122 . . . . 70.439999999999998 109.307 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.52 HD11 HD21 ' A' ' 29' ' ' LEU . 4.2 pt -95.81 155.08 3.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.492 1.12 . . . . 74.409999999999997 109.298 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 22.3 mttp -111.91 102.89 11.11 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.569 1.168 . . . . 74.230000000000004 109.323 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' TYR . . . . . 0.777 ' HB2' HD21 ' A' ' 81' ' ' LEU . 9.0 p90 -102.04 147.51 26.49 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.518 1.136 . . . . 75.549999999999997 110.966 -179.936 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . 0.452 ' O ' ' CD2' ' A' ' 50' ' ' TYR . 58.1 tt0 -70.66 159.07 35.11 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.467 1.104 . . . . 64.120000000000005 110.263 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 16.5 p30 -123.12 -174.85 3.04 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.502 1.126 . . . . 65.549999999999997 109.3 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . 0.458 ' HB3' ' CG ' ' A' ' 72' ' ' MET . 7.7 pt-20 -68.06 -32.92 73.59 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.47 1.106 . . . . 74.530000000000001 110.283 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 28.0 t0 -63.95 -16.47 61.6 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.492 1.12 . . . . 74.329999999999998 109.327 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 88.57 6.77 72.95 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.491 1.119 . . . . 71.010000000000005 111.009 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -97.95 179.15 4.88 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.5 0.765 . . . . 73.140000000000001 109.251 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . 0.53 ' CD1' ' O ' ' A' ' 57' ' ' PHE . 25.2 p90 -103.21 131.22 50.41 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.559 1.162 . . . . 73.120000000000005 111.021 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.507 HG23 ' CE1' ' A' ' 50' ' ' TYR . 0.7 OUTLIER -129.72 150.61 34.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.488 1.117 . . . . 75.25 109.294 -179.965 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.4 HG12 ' H ' ' A' ' 59' ' ' VAL . 3.3 p -78.33 156.85 5.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.504 1.128 . . . . 64.420000000000002 109.312 179.944 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.696 HD21 ' CD2' ' A' ' 29' ' ' LEU . 0.4 OUTLIER -148.28 115.0 6.02 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.486 1.116 . . . . 60.340000000000003 109.279 -179.997 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . 0.696 ' N ' HD12 ' A' ' 60' ' ' LEU . . . -154.13 26.92 0.71 Allowed Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.486 1.116 . . . . 55.32 110.996 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 3.3 m -156.76 157.99 36.06 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.547 0.793 . . . . 70.420000000000002 110.0 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 6.1 t70 -63.09 -18.23 63.17 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.562 1.164 . . . . 64.120000000000005 109.284 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . 0.474 ' O ' ' CG2' ' A' ' 68' ' ' VAL . 4.5 tt0 -79.33 -17.32 54.78 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.473 1.108 . . . . 74.420000000000002 110.279 -179.952 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . 0.407 ' O ' ' HB2' ' A' ' 69' ' ' ALA . 3.1 m-20 -107.88 -15.94 14.42 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.487 1.117 . . . . 74.239999999999995 109.306 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' TRP . . . . . 0.606 ' HZ2' ' HZ1' ' A' ' 70' ' ' LYS . 0.3 OUTLIER -92.37 -24.17 18.98 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.517 1.136 . . . . 71.519999999999996 107.987 179.972 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 7.7 t30 -93.26 -50.95 5.23 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.508 1.13 . . . . 64.329999999999998 109.276 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.474 ' CG2' ' O ' ' A' ' 64' ' ' GLU . 72.4 t -59.07 -26.93 34.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.495 1.122 . . . . 30.32 109.283 -179.95 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . 0.414 ' O ' HD23 ' A' ' 73' ' ' LEU . . . -76.78 -48.87 17.32 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.485 1.115 . . . . 53.140000000000001 109.32 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . 0.606 ' HZ1' ' HZ2' ' A' ' 66' ' ' TRP . 17.6 mtmt -55.76 -44.77 77.94 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.455 1.097 . . . . 73.349999999999994 109.304 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 56.4 mm-40 -58.82 -15.89 14.54 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.499 1.124 . . . . 54.420000000000002 110.32 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' MET . . . . . 0.458 ' CG ' ' HB3' ' A' ' 53' ' ' GLU . 5.8 tpt -86.14 -22.29 27.12 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.555 1.16 . . . . 63.520000000000003 111.031 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.709 HD13 ' CG ' ' A' ' 78' ' ' GLU . 0.6 OUTLIER -63.0 -60.94 2.77 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.452 1.095 . . . . 65.420000000000002 109.298 179.994 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -53.22 -27.71 23.34 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.52 1.138 . . . . 63.439999999999998 109.296 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . 0.42 ' HB2' ' CE ' ' A' ' 72' ' ' MET . 5.6 mm-40 -85.46 -25.21 27.06 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.518 1.136 . . . . 72.329999999999998 110.303 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' ASN . . . . . 0.437 ' N ' ' O ' ' A' ' 72' ' ' MET . 29.3 m-20 -85.77 -12.34 51.26 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.551 1.157 . . . . 71.349999999999994 109.294 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 68.5 m-80 61.04 34.6 19.18 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.573 1.17 . . . . 73.299999999999997 109.305 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . 0.709 ' CG ' HD13 ' A' ' 73' ' ' LEU . 14.1 pt-20 -116.87 165.25 13.54 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.535 1.147 . . . . 74.230000000000004 110.333 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 36.8 mtmt -121.12 16.63 11.58 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.489 1.118 . . . . 73.120000000000005 109.3 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' PHE . . . . . 0.566 ' O ' HD11 ' A' ' 73' ' ' LEU . 25.4 p90 -144.5 -174.89 4.44 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.493 1.121 . . . . 74.409999999999997 110.993 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.854 HD23 ' N ' ' A' ' 82' ' ' ASN . 5.6 tt -143.98 166.58 24.57 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.512 1.133 . . . . 74.5 109.27 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' ASN . . . . . 0.854 ' N ' HD23 ' A' ' 81' ' ' LEU . 1.0 OUTLIER -123.13 113.62 19.23 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.489 1.118 . . . . 72.420000000000002 109.29 -179.996 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . 0.593 HD11 HD22 ' A' ' 81' ' ' LEU . 42.5 mm -103.03 158.6 4.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.488 1.117 . . . . 74.200000000000003 109.331 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . 0.694 ' O ' HD12 ' A' ' 85' ' ' LEU . 11.4 tpp85 -133.26 127.2 33.15 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.5 1.125 . . . . 74.030000000000001 110.317 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.773 HD22 HG23 ' A' ' 9' ' ' ILE . 6.7 mp -123.36 110.65 15.42 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.514 1.134 . . . . 73.019999999999996 109.302 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' TYR . . . . . 0.423 ' O ' ' ND2' ' A' ' 12' ' ' ASN . 3.9 m-30 . . . . . 0 C--N 1.324 -0.511 0 O-C-N 124.514 1.134 . . . . 74.310000000000002 111.028 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 N--CA 1.453 -0.876 0 N-CA-C 111.016 -0.417 . . . . 70.150000000000006 111.016 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 4.3 mp -85.37 160.27 19.81 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.478 1.111 . . . . 70.209999999999994 109.305 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . 0.49 ' H ' ' NZ ' ' A' ' 22' ' ' LYS . . . 87.65 -17.95 41.62 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.542 1.151 . . . . 71.439999999999998 111.006 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . 0.525 ' HB2' HD11 ' A' ' 19' ' ' LEU . 0.7 OUTLIER -136.79 155.56 49.66 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.513 0.772 . . . . 64.409999999999997 109.995 179.987 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.669 ' CD1' HD12 ' A' ' 73' ' ' LEU . 20.7 mt -138.36 150.07 24.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.54 1.15 . . . . 74.319999999999993 109.25 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.664 HD21 ' HB ' ' A' ' 17' ' ' THR . 3.4 tp -103.29 140.46 37.37 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.502 1.126 . . . . 73.040000000000006 109.288 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . 0.591 ' CG ' HG11 ' A' ' 20' ' ' VAL . 2.4 m-30 -118.41 124.07 46.79 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.489 1.118 . . . . 75.319999999999993 110.991 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 42.2 mtp180 -94.5 91.72 6.76 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.481 1.113 . . . . 74.409999999999997 110.301 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.452 ' N ' ' O ' ' A' ' 16' ' ' PHE . 5.2 mp -76.99 104.09 4.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.509 1.131 . . . . 63.210000000000001 109.35 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 19.3 t -104.67 132.72 50.58 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.525 1.141 . . . . 74.329999999999998 109.978 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . 0.542 ' CG ' ' N ' ' A' ' 12' ' ' ASN . 59.4 t80 -142.37 173.57 11.41 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.508 1.13 . . . . 74.230000000000004 110.993 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . 0.542 ' N ' ' CG ' ' A' ' 11' ' ' TYR . 22.6 t-20 -39.78 -28.81 0.05 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.442 1.089 . . . . 72.120000000000005 109.309 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . 0.471 ' N ' ' C ' ' A' ' 11' ' ' TYR . 4.6 m -74.96 -95.42 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.568 1.167 . . . . 73.329999999999998 110.028 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 62.4 mt-10 -141.93 -171.62 3.39 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.458 1.099 . . . . 73.109999999999999 110.269 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 1.2 mt -104.12 123.23 57.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.506 1.129 . . . . 72.310000000000002 109.335 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . 0.452 ' O ' ' N ' ' A' ' 9' ' ' ILE . 58.6 m-85 -120.88 148.92 43.38 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.518 1.136 . . . . 74.409999999999997 111.017 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.664 ' HB ' HD21 ' A' ' 6' ' ' LEU . 35.4 p -96.24 153.08 18.0 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.498 1.124 . . . . 73.549999999999997 110.392 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.578 HD23 ' HE2' ' A' ' 36' ' ' LYS . 2.9 tm? -152.01 106.75 3.23 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.524 1.14 . . . . 64.25 109.268 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.525 HD11 ' HB2' ' A' ' 4' ' ' SER . 0.4 OUTLIER -67.64 97.98 0.66 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.512 1.133 . . . . 54.25 109.33 179.947 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.591 HG11 ' CG ' ' A' ' 7' ' ' PHE . 2.6 p -102.62 109.34 26.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.45 1.094 . . . . 65.230000000000004 109.318 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.586 ' HB3' HG12 ' A' ' 23' ' ' VAL . 9.9 mm-40 -54.55 167.83 0.31 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.541 1.151 . . . . 54.240000000000002 110.273 -179.95 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . 0.49 ' NZ ' ' H ' ' A' ' 3' ' ' GLY . 78.6 mttt -88.79 12.49 14.9 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.475 1.109 . . . . 55.219999999999999 109.313 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.586 HG12 ' HB3' ' A' ' 21' ' ' GLU . 0.4 OUTLIER -110.34 -26.2 3.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.509 1.131 . . . . 74.310000000000002 109.334 179.994 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' TRP . . . . . 0.524 ' CE3' HG23 ' A' ' 20' ' ' VAL . 28.2 m0 -60.78 91.84 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 107.952 -1.129 . . . . 74.219999999999999 107.952 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . 0.414 ' OD1' ' N ' ' A' ' 25' ' ' ASN . 5.4 p-10 -51.9 178.84 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.497 1.123 . . . . 71.409999999999997 109.31 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . 0.592 ' CZ ' ' O ' ' A' ' 61' ' ' GLY . 0.7 OUTLIER -52.52 -34.68 50.89 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.529 1.143 . . . . 75.109999999999999 111.023 -179.998 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 11.3 t0 -69.64 -64.19 0.93 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.498 1.124 . . . . 71.230000000000004 109.336 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 60.7 m-20 -49.12 -31.72 8.62 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.503 1.127 . . . . 74.25 109.336 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.74 HD21 HD21 ' A' ' 60' ' ' LEU . 2.1 tp -62.72 -60.76 3.05 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.536 1.148 . . . . 74.310000000000002 109.29 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.444 ' HA ' HD13 ' A' ' 30' ' ' ILE . 25.3 mm -54.87 -32.24 26.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.495 1.122 . . . . 75.150000000000006 109.314 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 19.4 mmm -79.54 -22.31 44.03 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.439 1.087 . . . . 73.439999999999998 110.961 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . 0.496 ' HB1' HD11 ' A' ' 18' ' ' LEU . . . -68.24 -55.44 12.19 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.449 1.093 . . . . 41.130000000000003 109.253 -179.95 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.46 ' N ' HD12 ' A' ' 33' ' ' ILE . 3.8 mp -67.05 -43.18 89.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.473 1.108 . . . . 72.150000000000006 109.287 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 1.4 m-80 -57.09 -18.57 15.09 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.498 1.124 . . . . 75.120000000000005 109.325 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 5.0 t -80.24 -43.04 22.1 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.481 1.113 . . . . 72.120000000000005 109.966 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 0.578 ' HE2' HD23 ' A' ' 18' ' ' LEU . 5.8 mptt -69.52 -44.91 70.06 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.515 1.135 . . . . 71.25 109.278 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.511 HD12 HG13 ' A' ' 45' ' ' ILE . 0.6 OUTLIER -78.05 -0.57 3.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.522 1.139 . . . . 70.310000000000002 109.337 179.981 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . 0.429 ' C ' ' N ' ' A' ' 40' ' ' THR . 19.9 t -60.9 -14.7 23.96 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.486 1.116 . . . . 74.129999999999995 109.951 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 1.4 t30 -40.43 -30.13 0.1 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.467 1.104 . . . . 75.409999999999997 109.307 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . 0.781 ' O ' HG23 ' A' ' 42' ' ' ILE . 3.5 t -107.02 -46.03 4.01 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.502 1.126 . . . . 61.340000000000003 110.391 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' HIS . . . . . 0.485 ' O ' ' CG ' ' A' ' 41' ' ' HIS . 10.9 t-80 52.5 34.53 15.61 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.556 1.16 . . . . 63.149999999999999 109.609 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.781 HG23 ' O ' ' A' ' 40' ' ' THR . 1.5 pp -116.64 -39.07 2.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.468 1.105 . . . . 71.319999999999993 109.332 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . 0.699 ' OG ' HD12 ' A' ' 42' ' ' ILE . 69.8 m -149.54 83.66 6.34 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.466 1.104 . . . . 75.409999999999997 110.03 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 -162.23 0.14 Allowed 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.522 1.801 . . . . 75.239999999999995 111.04 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . 0.651 HD12 ' O ' ' A' ' 45' ' ' ILE . 1.3 pp -135.21 136.58 51.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.495 1.122 . . . . 61.229999999999997 109.262 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 57.0 p -104.86 -20.27 13.63 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.45 1.094 . . . . 74.340000000000003 110.357 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 8.1 mtmm -112.85 124.73 53.27 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.472 1.107 . . . . 72.040000000000006 109.31 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.667 HG22 HD21 ' A' ' 85' ' ' LEU . 15.0 pt -123.32 130.59 74.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.484 1.115 . . . . 74.200000000000003 109.295 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 16.5 ttmt -97.17 103.72 15.68 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.491 1.12 . . . . 72.450000000000003 109.332 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' TYR . . . . . 0.771 ' HB2' HD21 ' A' ' 81' ' ' LEU . 9.4 p90 -97.39 147.71 23.92 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.492 1.12 . . . . 70.25 110.988 -179.954 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 40.7 tt0 -76.2 158.48 31.62 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.443 1.09 . . . . 71.120000000000005 110.249 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 8.0 t0 -122.71 -174.04 2.83 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.473 1.108 . . . . 65.109999999999999 109.284 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . 0.484 ' CB ' ' OD1' ' A' ' 76' ' ' ASN . 1.8 pp20? -69.87 -37.95 76.24 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.506 1.129 . . . . 75.349999999999994 110.294 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 33.3 t70 -58.64 -17.8 25.24 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.475 1.11 . . . . 74.310000000000002 109.297 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 89.59 5.07 72.35 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.491 1.119 . . . . 72.329999999999998 110.997 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 4.4 t70 -101.31 148.03 25.62 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.511 0.771 . . . . 75.219999999999999 109.315 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . 0.433 ' CD1' ' O ' ' A' ' 57' ' ' PHE . 10.2 p90 -76.22 144.73 40.23 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.499 1.124 . . . . 75.549999999999997 110.995 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.453 HG23 ' O ' ' A' ' 50' ' ' TYR . 0.1 OUTLIER -141.36 146.94 22.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.471 1.107 . . . . 65.510000000000005 109.342 179.957 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 9.2 p -72.87 154.32 7.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.53 1.144 . . . . 73.040000000000006 109.28 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.74 HD21 HD21 ' A' ' 29' ' ' LEU . 2.5 tp -143.25 118.48 10.17 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.499 1.125 . . . . 51.539999999999999 109.326 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . 0.592 ' O ' ' CZ ' ' A' ' 26' ' ' PHE . . . -158.05 27.59 0.45 Allowed Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.535 1.147 . . . . 71.25 110.992 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -159.63 152.28 21.43 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.558 0.799 . . . . 74.040000000000006 110.027 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 22.5 t70 -66.26 -21.97 66.3 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.488 1.118 . . . . 71.420000000000002 109.326 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . 0.483 ' OE1' HG23 ' A' ' 68' ' ' VAL . 3.2 tp10 -74.75 -14.83 60.76 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.545 1.153 . . . . 64.120000000000005 110.34 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 9.4 t0 -109.72 -17.22 13.74 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.508 1.13 . . . . 65.319999999999993 109.294 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' TRP . . . . . 0.596 ' CE3' ' O ' ' A' ' 66' ' ' TRP . 3.5 t-105 -92.53 -23.7 19.0 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.541 1.15 . . . . 75.510000000000005 107.996 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 7.7 t30 -93.91 -35.29 12.74 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.49 1.119 . . . . 72.310000000000002 109.268 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.483 HG23 ' OE1' ' A' ' 64' ' ' GLU . 29.2 t -72.89 -20.91 19.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.512 1.133 . . . . 73.409999999999997 109.29 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . 0.433 ' O ' ' CB ' ' A' ' 72' ' ' MET . . . -83.3 -47.43 11.51 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.47 1.107 . . . . 61.32 109.291 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . 0.558 ' HG3' ' CZ3' ' A' ' 66' ' ' TRP . 37.1 mtmt -48.9 -56.46 8.75 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.504 1.127 . . . . 73.019999999999996 109.332 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 11.1 mt-10 -45.51 -26.78 0.63 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.487 1.117 . . . . 62.509999999999998 110.303 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' MET . . . . . 0.433 ' CB ' ' O ' ' A' ' 69' ' ' ALA . 17.0 tpp -72.16 -39.43 68.71 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.465 1.103 . . . . 63.299999999999997 111.018 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.669 HD12 ' CD1' ' A' ' 5' ' ' ILE . 6.8 mt -45.47 -50.67 12.49 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.557 1.161 . . . . 71.219999999999999 109.304 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -54.75 -39.99 68.88 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.518 1.136 . . . . 51.25 109.282 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 65.9 mt-10 -77.17 -18.91 57.45 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.527 1.142 . . . . 75.109999999999999 110.299 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' ASN . . . . . 0.497 ' CB ' ' OE1' ' A' ' 78' ' ' GLU . 63.0 m-20 -91.61 -13.33 32.11 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.475 1.109 . . . . 73.329999999999998 109.261 -179.949 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . 0.425 ' N ' HD22 ' A' ' 77' ' ' ASN . 1.9 m-80 60.51 32.67 20.54 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.526 1.141 . . . . 75.150000000000006 109.275 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . 0.497 ' OE1' ' CB ' ' A' ' 76' ' ' ASN . 10.2 pt-20 -114.42 162.75 16.26 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.498 1.124 . . . . 71.510000000000005 110.316 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -121.78 24.55 9.64 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.497 1.123 . . . . 72.230000000000004 109.344 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 11.4 p90 -153.5 -177.33 6.28 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.482 1.114 . . . . 62.020000000000003 111.003 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.868 HD23 ' N ' ' A' ' 82' ' ' ASN . 10.1 tt -142.02 167.87 21.1 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.492 1.12 . . . . 73.239999999999995 109.279 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' ASN . . . . . 0.868 ' N ' HD23 ' A' ' 81' ' ' LEU . 0.9 OUTLIER -123.24 112.89 18.2 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.537 1.148 . . . . 72.439999999999998 109.304 179.978 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . 0.461 HG13 ' CD2' ' A' ' 7' ' ' PHE . 14.5 mm -99.77 158.35 3.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.462 1.101 . . . . 60.25 109.293 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 3.2 tpp85 -141.72 148.04 38.39 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.471 1.107 . . . . 70.140000000000001 110.336 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.667 HD21 HG22 ' A' ' 48' ' ' ILE . 33.2 mt -136.85 125.35 23.56 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.49 1.119 . . . . 71.439999999999998 109.282 -179.942 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 3.3 m-85 . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.558 1.161 . . . . 70.409999999999997 111.001 179.99 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 N--CA 1.453 -0.878 0 N-CA-C 111.013 -0.418 . . . . 70.439999999999998 111.013 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . 0.441 HD23 ' HA ' ' A' ' 2' ' ' LEU . 13.9 mt -108.89 -175.02 2.66 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.466 1.104 . . . . 71.150000000000006 109.308 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 59.8 73.97 0.42 Allowed Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.459 1.1 . . . . 53.539999999999999 110.946 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . 0.559 ' CB ' HD11 ' A' ' 19' ' ' LEU . 1.0 OUTLIER -148.15 163.19 37.72 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.539 0.787 . . . . 72.439999999999998 109.977 179.976 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.469 ' CD1' ' HE2' ' A' ' 22' ' ' LYS . 16.1 mt -121.55 147.35 25.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.5 1.125 . . . . 74.299999999999997 109.294 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 3.8 tp -90.52 139.99 30.17 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.488 1.118 . . . . 65.109999999999999 109.284 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . 0.566 ' CE2' HD13 ' A' ' 29' ' ' LEU . 1.8 m-85 -129.39 111.02 12.39 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.533 1.146 . . . . 74.519999999999996 110.964 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . 0.965 ' CD ' HG22 ' A' ' 17' ' ' THR . 46.3 mmm-85 -88.19 119.09 28.25 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.512 1.133 . . . . 74.310000000000002 110.316 179.944 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.605 ' CG2' HD22 ' A' ' 85' ' ' LEU . 4.3 mp -95.93 80.64 1.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.45 1.094 . . . . 71.450000000000003 109.298 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . 0.948 ' OG ' HG23 ' A' ' 15' ' ' ILE . 19.9 m -90.84 125.05 35.62 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.495 1.122 . . . . 73.019999999999996 109.971 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . 0.514 ' CG ' ' N ' ' A' ' 12' ' ' ASN . 79.4 t80 -131.16 175.46 9.09 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.537 1.148 . . . . 75.040000000000006 110.981 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . 0.514 ' N ' ' CG ' ' A' ' 11' ' ' TYR . 37.6 m-20 -38.81 -29.54 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.498 1.124 . . . . 71.120000000000005 109.284 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . 0.466 ' N ' ' C ' ' A' ' 11' ' ' TYR . 9.6 t -70.47 -92.89 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.512 1.133 . . . . 72.200000000000003 109.99 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . 0.523 ' C ' HD12 ' A' ' 15' ' ' ILE . 12.1 mt-10 -140.85 -154.49 0.52 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.504 1.128 . . . . 75.019999999999996 110.333 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.948 HG23 ' OG ' ' A' ' 10' ' ' SER . 1.7 mp -115.04 138.1 46.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.497 1.123 . . . . 63.409999999999997 109.339 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . 0.423 ' O ' ' HA ' ' A' ' 8' ' ' ARG . 7.8 t80 -128.68 177.71 6.85 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.482 1.114 . . . . 73.400000000000006 110.993 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.965 HG22 ' CD ' ' A' ' 8' ' ' ARG . 19.7 p -131.63 146.16 52.06 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.45 1.094 . . . . 64.430000000000007 110.375 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.549 HD23 ' C ' ' A' ' 18' ' ' LEU . 7.1 tt -150.26 124.58 9.52 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.539 1.149 . . . . 64.340000000000003 109.295 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.559 HD11 ' CB ' ' A' ' 4' ' ' SER . 0.2 OUTLIER -82.94 114.74 21.43 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.502 1.126 . . . . 73.040000000000006 109.313 -179.976 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.81 HG23 ' HE3' ' A' ' 24' ' ' TRP . 8.3 p -122.03 122.58 67.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.513 1.133 . . . . 62.340000000000003 109.32 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.565 ' HB2' ' CD1' ' A' ' 24' ' ' TRP . 23.5 mt-10 -63.41 168.99 4.03 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.463 1.102 . . . . 75.450000000000003 110.269 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . 0.469 ' HE2' ' CD1' ' A' ' 5' ' ' ILE . 1.0 OUTLIER -87.94 10.2 19.64 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.503 1.127 . . . . 61.409999999999997 109.288 -179.998 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.435 HG12 ' HB3' ' A' ' 21' ' ' GLU . 0.2 OUTLIER -111.19 -18.49 7.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.501 1.125 . . . . 63.210000000000001 109.307 179.984 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' TRP . . . . . 0.81 ' HE3' HG23 ' A' ' 20' ' ' VAL . 22.5 m0 -72.34 86.63 1.12 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.502 1.127 . . . . 62.030000000000001 108.016 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . 0.518 ' HA ' ' CE2' ' A' ' 66' ' ' TRP . 8.3 p-10 -52.71 175.89 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.522 1.139 . . . . 73.329999999999998 109.295 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 8.3 p90 -47.35 -30.75 3.41 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.453 1.096 . . . . 70.420000000000002 111.026 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 19.2 t70 -65.49 -69.29 0.3 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.516 1.135 . . . . 62.420000000000002 109.348 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . 0.45 ' O ' ' N ' ' A' ' 32' ' ' ALA . 24.5 m-20 -51.22 -30.28 16.88 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.508 1.13 . . . . 73.319999999999993 109.299 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.593 HD21 HD11 ' A' ' 48' ' ' ILE . 1.5 tp -61.19 -57.55 11.99 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.494 1.121 . . . . 74.329999999999998 109.283 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.432 HD13 ' HA ' ' A' ' 30' ' ' ILE . 17.8 mm -57.81 -29.69 35.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.467 1.105 . . . . 62.030000000000001 109.29 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 7.1 mmt -82.89 -21.98 34.1 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.505 1.128 . . . . 70.099999999999994 111.013 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . 0.536 ' O ' HD11 ' A' ' 18' ' ' LEU . . . -68.99 -49.99 52.9 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.51 1.131 . . . . 42.509999999999998 109.343 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.653 ' O ' HG23 ' A' ' 37' ' ' ILE . 3.1 mp -70.23 -40.43 78.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.475 1.109 . . . . 71.510000000000005 109.308 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . 0.514 HD21 HD12 ' A' ' 45' ' ' ILE . 1.6 m-80 -64.56 -15.45 61.03 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.478 1.111 . . . . 74.109999999999999 109.305 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 1.5 t -85.52 -45.87 11.38 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.534 1.147 . . . . 75.200000000000003 109.994 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 0.438 ' HG2' HD12 ' A' ' 18' ' ' LEU . 0.3 OUTLIER -67.17 -51.53 52.61 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.513 1.133 . . . . 71.340000000000003 109.334 179.969 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.653 HG23 ' O ' ' A' ' 33' ' ' ILE . 1.8 pt -63.19 -16.01 16.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.482 1.114 . . . . 64.510000000000005 109.269 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . 0.4 ' O ' ' C ' ' A' ' 39' ' ' ASN . 2.3 t -50.77 -25.27 4.2 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.536 1.147 . . . . 62.340000000000003 109.976 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . 0.4 ' C ' ' O ' ' A' ' 38' ' ' SER . 7.4 t30 -40.55 -32.96 0.23 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.497 1.123 . . . . 64.299999999999997 109.265 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . 0.773 ' O ' HG23 ' A' ' 42' ' ' ILE . 11.4 p -91.18 -42.98 10.13 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.502 1.126 . . . . 72.239999999999995 110.365 -179.942 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' HIS . . . . . 0.476 ' CG ' ' O ' ' A' ' 40' ' ' THR . 28.3 p80 47.35 50.67 14.34 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.47 1.106 . . . . 75.439999999999998 109.596 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.773 HG23 ' O ' ' A' ' 40' ' ' THR . 6.6 pt -127.05 -46.43 1.26 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.533 1.145 . . . . 72.150000000000006 109.288 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 1.7 t -161.85 93.84 1.33 Allowed Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.482 1.114 . . . . 74.510000000000005 110.013 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -162.23 0.14 Allowed 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.512 1.796 . . . . 73.439999999999998 111.04 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . 0.514 HD12 HD21 ' A' ' 34' ' ' ASN . 1.1 pp -129.93 165.03 31.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 74.439999999999998 109.307 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 73.9 p -130.83 5.96 4.64 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.49 1.119 . . . . 71.430000000000007 110.444 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 31.0 mtpt -136.38 141.11 43.66 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.54 1.15 . . . . 74.540000000000006 109.256 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.998 HG22 HD11 ' A' ' 85' ' ' LEU . 19.0 pt -138.67 126.55 28.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.511 1.132 . . . . 72.430000000000007 109.271 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 1.3 ttmp? -98.94 106.72 19.01 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.482 1.114 . . . . 74.5 109.264 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' TYR . . . . . 0.482 ' O ' HG23 ' A' ' 58' ' ' VAL . 8.2 p90 -99.46 149.74 22.9 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.542 1.151 . . . . 70.409999999999997 111.011 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . 0.456 ' O ' ' CD2' ' A' ' 50' ' ' TYR . 33.6 tt0 -62.74 144.49 56.36 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.544 1.153 . . . . 64.230000000000004 110.282 -179.933 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . 0.451 ' HB2' HG22 ' A' ' 58' ' ' VAL . 12.5 t0 -105.15 177.13 4.94 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.478 1.111 . . . . 72.219999999999999 109.274 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 2.2 pm0 -63.21 -27.12 69.14 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.424 1.078 . . . . 71.430000000000007 110.29 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 4.0 t70 -89.34 14.73 10.46 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.532 1.145 . . . . 54.32 109.316 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 59.98 18.64 48.23 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.448 1.093 . . . . 70.540000000000006 111.011 -179.934 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -102.02 129.04 48.22 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.504 0.767 . . . . 74.420000000000002 109.293 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . 0.455 ' CD1' ' O ' ' A' ' 57' ' ' PHE . 12.7 p90 -57.61 120.45 8.36 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.522 1.139 . . . . 65.340000000000003 110.976 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.482 HG23 ' O ' ' A' ' 50' ' ' TYR . 0.2 OUTLIER -122.19 145.82 28.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.536 1.148 . . . . 73.239999999999995 109.3 179.957 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 11.5 t -72.74 154.71 7.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.537 1.148 . . . . 63.210000000000001 109.28 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.88 HD12 ' N ' ' A' ' 61' ' ' GLY . 0.3 OUTLIER -150.47 120.51 7.19 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.471 1.107 . . . . 71.140000000000001 109.309 179.993 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . 0.88 ' N ' HD12 ' A' ' 60' ' ' LEU . . . -159.75 26.72 0.34 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.522 1.139 . . . . 64.519999999999996 110.998 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 5.3 m -151.24 171.15 17.87 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.453 0.737 . . . . 64.5 110.001 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 8.8 t70 -70.84 -25.67 62.93 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.497 1.123 . . . . 75.409999999999997 109.329 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . 0.629 ' O ' HG23 ' A' ' 68' ' ' VAL . 16.4 pt-20 -70.72 -36.72 73.35 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.505 1.128 . . . . 70.040000000000006 110.321 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . 0.565 ' O ' ' HB2' ' A' ' 69' ' ' ALA . 4.1 m-20 -86.81 -9.53 55.6 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.456 1.098 . . . . 74.010000000000005 109.323 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' TRP . . . . . 0.576 ' CZ3' ' OD1' ' A' ' 67' ' ' ASN . 8.9 t90 -96.84 -22.58 16.83 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.499 1.125 . . . . 75.430000000000007 108.008 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . 0.576 ' OD1' ' CZ3' ' A' ' 66' ' ' TRP . 26.3 m-20 -98.32 -44.22 6.63 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.46 1.1 . . . . 73.409999999999997 109.308 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.629 HG23 ' O ' ' A' ' 64' ' ' GLU . 51.8 t -72.45 -6.07 7.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.499 1.124 . . . . 53.520000000000003 109.328 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . 0.565 ' HB2' ' O ' ' A' ' 65' ' ' ASP . . . -96.41 -24.71 16.01 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.491 1.12 . . . . 52.240000000000002 109.241 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . 0.562 ' HE3' ' CZ2' ' A' ' 66' ' ' TRP . 32.4 mttm -75.32 -36.21 61.11 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.496 1.123 . . . . 73.230000000000004 109.305 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -56.33 -31.66 63.94 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.506 1.129 . . . . 54.049999999999997 110.3 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' MET . . . . . 0.448 ' O ' ' N ' ' A' ' 76' ' ' ASN . 2.5 ttt -64.77 -46.98 79.85 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.555 1.159 . . . . 73.340000000000003 110.981 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 6.3 mt -49.29 -45.13 44.75 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.534 1.146 . . . . 65.329999999999998 109.256 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -65.71 -34.29 77.85 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.456 1.097 . . . . 72.019999999999996 109.316 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 -78.63 -18.82 53.91 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.527 1.142 . . . . 73.099999999999994 110.307 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' ASN . . . . . 0.513 ' N ' HD22 ' A' ' 76' ' ' ASN . 1.4 m-80 -102.48 15.22 29.86 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.563 1.165 . . . . 65.120000000000005 109.319 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 49.7 m-80 40.96 29.61 0.08 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.503 1.127 . . . . 60.439999999999998 109.285 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . 0.589 ' OE1' ' CE2' ' A' ' 80' ' ' PHE . 13.5 pt-20 -117.79 161.48 19.65 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.529 1.143 . . . . 73.010000000000005 110.313 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 7.8 mtmp? -124.14 25.35 7.87 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.461 1.101 . . . . 72.129999999999995 109.313 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' PHE . . . . . 0.589 ' CE2' ' OE1' ' A' ' 78' ' ' GLU . 8.2 p90 -133.17 166.72 21.8 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.531 1.144 . . . . 73.430000000000007 110.98 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.847 HD23 ' N ' ' A' ' 82' ' ' ASN . 8.4 tt -134.02 172.26 13.07 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.535 1.147 . . . . 74.340000000000003 109.276 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' ASN . . . . . 0.847 ' N ' HD23 ' A' ' 81' ' ' LEU . 0.9 OUTLIER -144.49 111.39 5.8 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.511 1.132 . . . . 64.209999999999994 109.305 179.978 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . 0.52 HG23 ' HB ' ' A' ' 48' ' ' ILE . 31.5 mm -93.46 157.54 2.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.48 1.112 . . . . 53.43 109.239 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 7.4 tpp180 -140.06 110.02 6.46 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.561 1.163 . . . . 71.510000000000005 110.309 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.998 HD11 HG22 ' A' ' 48' ' ' ILE . 4.2 mp -89.66 137.37 32.39 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.541 1.15 . . . . 64.219999999999999 109.316 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' TYR . . . . . 0.403 ' C ' ' O ' ' A' ' 85' ' ' LEU . 29.0 m-85 . . . . . 0 C--N 1.325 -0.495 0 O-C-N 124.441 1.088 . . . . 73.530000000000001 110.966 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo . . . . . 0 N--CA 1.453 -0.873 0 N-CA-C 111.035 -0.41 . . . . 71.040000000000006 111.035 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . 0.591 ' N ' HD12 ' A' ' 2' ' ' LEU . 3.6 mp -96.8 -20.66 18.04 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.467 1.105 . . . . 75.010000000000005 109.3 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -82.42 69.99 3.24 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.547 1.155 . . . . 60.210000000000001 110.989 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . 0.427 ' HB2' HD11 ' A' ' 19' ' ' LEU . 2.5 m -147.27 170.97 16.15 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.517 0.775 . . . . 62.109999999999999 109.992 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.444 ' CD1' ' HE2' ' A' ' 22' ' ' LYS . 17.2 mt -125.61 149.53 30.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.525 1.14 . . . . 70.040000000000006 109.319 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 7.9 tt -104.3 148.89 25.86 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.436 1.085 . . . . 70.030000000000001 109.341 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . 1.098 ' CE2' HD11 ' A' ' 29' ' ' LEU . 2.0 m-30 -119.62 95.59 4.84 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.537 1.148 . . . . 72.109999999999999 110.997 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . 0.402 ' HA ' ' O ' ' A' ' 16' ' ' PHE . 62.4 ttp85 -75.72 64.97 1.81 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.487 1.117 . . . . 63.409999999999997 110.296 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.582 HG23 HD23 ' A' ' 85' ' ' LEU . 2.7 mt -48.36 163.87 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.513 1.133 . . . . 64.439999999999998 109.32 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . 0.544 ' HB2' HD12 ' A' ' 15' ' ' ILE . 5.6 t -168.37 131.65 1.51 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.497 1.123 . . . . 52.450000000000003 109.963 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . 0.54 ' CG ' ' N ' ' A' ' 12' ' ' ASN . 57.4 t80 -145.21 173.42 11.96 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.488 1.118 . . . . 70.430000000000007 111.009 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . 0.54 ' N ' ' CG ' ' A' ' 11' ' ' TYR . 62.6 t30 -40.16 -28.19 0.05 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.507 1.13 . . . . 72.230000000000004 109.282 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . 0.46 ' N ' ' O ' ' A' ' 11' ' ' TYR . 7.1 t -70.0 -90.33 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.441 1.088 . . . . 50.310000000000002 110.016 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 29.9 mt-10 -149.03 -173.28 4.33 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.484 1.115 . . . . 74.329999999999998 110.306 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.544 HD12 ' HB2' ' A' ' 10' ' ' SER . 11.6 mm -95.42 131.75 41.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.537 1.148 . . . . 64.120000000000005 109.288 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . 0.402 ' O ' ' HA ' ' A' ' 8' ' ' ARG . 97.2 m-85 -126.27 165.92 18.07 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.507 1.13 . . . . 71.540000000000006 110.982 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 4.1 p -134.2 133.73 41.26 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.462 1.102 . . . . 71.310000000000002 110.376 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.716 HD23 ' HE3' ' A' ' 36' ' ' LYS . 2.1 tm? -133.89 113.86 12.68 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.512 1.133 . . . . 71.310000000000002 109.314 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.486 ' C ' ' CD1' ' A' ' 19' ' ' LEU . 0.2 OUTLIER -75.17 101.83 4.74 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.532 1.145 . . . . 74.109999999999999 109.26 -179.989 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.507 HG23 ' CE3' ' A' ' 24' ' ' TRP . 4.6 p -101.0 153.64 4.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.542 1.151 . . . . 61.25 109.281 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.558 ' HB2' ' CD1' ' A' ' 24' ' ' TRP . 18.0 mm-40 -90.75 167.79 12.23 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.483 1.114 . . . . 72.450000000000003 110.314 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . 0.444 ' HE2' ' CD1' ' A' ' 5' ' ' ILE . 0.2 OUTLIER -89.69 15.67 9.2 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.471 1.107 . . . . 72.400000000000006 109.284 -179.977 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.504 HG13 ' CD1' ' A' ' 24' ' ' TRP . 0.2 OUTLIER -116.1 -38.78 2.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.53 1.144 . . . . 62.329999999999998 109.351 179.966 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' TRP . . . . . 0.558 ' CD1' ' HB2' ' A' ' 21' ' ' GLU . 7.7 m0 -56.32 96.77 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.559 1.162 . . . . 74.299999999999997 108.009 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . 0.498 ' HA ' ' CE2' ' A' ' 66' ' ' TRP . 17.3 p-10 -55.89 174.29 0.12 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.442 1.089 . . . . 60.0 109.299 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 31.8 p90 -53.46 -24.36 12.69 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.531 1.145 . . . . 74.239999999999995 111.019 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -72.57 -70.27 0.36 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.439 1.087 . . . . 52.350000000000001 109.304 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 33.8 m-20 -57.34 -20.8 31.2 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.484 1.115 . . . . 72.439999999999998 109.304 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 1.098 HD11 ' CE2' ' A' ' 7' ' ' PHE . 4.5 tp -71.18 -59.51 2.73 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.496 1.123 . . . . 72.549999999999997 109.269 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 17.7 mm -49.15 -44.21 16.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.551 1.157 . . . . 73.439999999999998 109.305 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 5.3 mmt -68.46 -23.76 64.63 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.512 1.133 . . . . 43.340000000000003 110.957 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . 0.546 ' HB3' ' O ' ' A' ' 29' ' ' LEU . . . -65.72 -56.5 11.71 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.479 1.112 . . . . 64.109999999999999 109.332 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.606 ' H ' HD12 ' A' ' 33' ' ' ILE . 5.2 mp -65.21 -45.22 94.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.519 1.137 . . . . 74.25 109.256 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 1.2 m-80 -53.5 -21.69 6.75 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.495 1.122 . . . . 71.319999999999993 109.315 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 8.4 t -75.36 -40.4 58.18 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.52 1.137 . . . . 75.310000000000002 109.966 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 0.716 ' HE3' HD23 ' A' ' 18' ' ' LEU . 1.1 mptp? -70.06 -47.59 61.33 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.468 1.105 . . . . 73.430000000000007 109.277 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.719 HD13 HD11 ' A' ' 45' ' ' ILE . 0.6 OUTLIER -78.09 -6.08 8.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.449 1.093 . . . . 73.219999999999999 109.321 179.978 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . 0.431 ' C ' ' N ' ' A' ' 40' ' ' THR . 34.4 t -46.54 -25.16 0.64 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.553 1.158 . . . . 64.530000000000001 109.977 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . 0.4 ' N ' ' C ' ' A' ' 37' ' ' ILE . 5.4 t30 -40.47 -29.92 0.1 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.482 1.114 . . . . 71.25 109.332 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . 0.431 ' N ' ' C ' ' A' ' 38' ' ' SER . 0.0 OUTLIER -116.81 97.48 5.99 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.499 1.124 . . . . 74.040000000000006 110.369 179.984 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 16.5 t-80 -91.54 38.66 0.98 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.461 1.101 . . . . 73.129999999999995 109.626 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 5.7 pt -103.17 -32.6 3.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.51 1.131 . . . . 61.219999999999999 109.312 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 1.7 t 177.07 93.91 0.12 Allowed Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.524 1.14 . . . . 61.240000000000002 110.009 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 -162.26 0.15 Allowed 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.482 1.78 . . . . 72.310000000000002 111.037 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . 0.816 HG21 HD12 ' A' ' 85' ' ' LEU . 1.5 pp -128.68 112.36 25.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.532 1.145 . . . . 20.510000000000002 109.296 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 1.6 t -81.6 -10.71 59.36 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.488 1.117 . . . . 54.310000000000002 110.394 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 11.1 pttt -127.71 134.72 49.57 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.478 1.111 . . . . 73.239999999999995 109.305 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.623 HG22 HD21 ' A' ' 85' ' ' LEU . 12.1 pt -121.08 176.1 4.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.533 1.145 . . . . 63.399999999999999 109.219 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . 0.418 ' HD3' ' CB ' ' A' ' 57' ' ' PHE . 12.9 tttt -134.48 104.82 6.26 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.516 1.135 . . . . 63.340000000000003 109.291 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' TYR . . . . . 0.78 ' HB2' HD21 ' A' ' 81' ' ' LEU . 8.3 p90 -99.53 146.88 25.91 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.494 1.121 . . . . 72.129999999999995 111.013 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 46.5 tt0 -67.9 136.74 54.49 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.479 1.112 . . . . 71.329999999999998 110.268 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . 0.416 ' HB2' ' CG2' ' A' ' 58' ' ' VAL . 11.0 t0 -97.81 -172.12 2.31 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.484 1.115 . . . . 63.130000000000003 109.303 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 1.2 pp20? -69.93 -35.85 74.86 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.518 1.137 . . . . 74.450000000000003 110.279 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 23.0 t0 -62.12 -15.39 45.26 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.465 1.103 . . . . 72.329999999999998 109.336 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 91.01 0.04 75.16 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.466 1.104 . . . . 63.409999999999997 111.003 -180.0 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 23.7 t0 -89.98 178.77 6.12 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.457 0.74 . . . . 65.340000000000003 109.3 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . 0.418 ' CB ' ' HD3' ' A' ' 49' ' ' LYS . 3.9 m-85 -100.69 125.2 47.1 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.499 1.124 . . . . 74.120000000000005 111.01 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.445 HG23 ' O ' ' A' ' 50' ' ' TYR . 0.2 OUTLIER -122.8 145.08 30.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.489 1.118 . . . . 62.020000000000003 109.338 179.981 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 2.8 p -74.21 141.27 16.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.477 1.111 . . . . 72.200000000000003 109.269 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.508 ' HB2' ' CD1' ' A' ' 50' ' ' TYR . 0.6 OUTLIER -130.68 109.72 10.84 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.56 1.162 . . . . 71.340000000000003 109.289 -179.999 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . 0.442 ' N ' HD12 ' A' ' 60' ' ' LEU . . . -148.37 23.02 1.38 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.468 1.105 . . . . 64.219999999999999 111.039 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 1.4 p -149.03 173.66 13.14 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.479 0.752 . . . . 72.120000000000005 109.965 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . 0.442 ' O ' ' N ' ' A' ' 67' ' ' ASN . 0.6 OUTLIER -71.43 -28.96 64.34 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.484 1.115 . . . . 64.019999999999996 109.306 179.995 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . 0.58 ' O ' HG23 ' A' ' 68' ' ' VAL . 4.1 tt0 -67.76 -38.73 83.85 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.565 1.166 . . . . 72.129999999999995 110.293 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . 0.515 ' O ' ' HB2' ' A' ' 69' ' ' ALA . 6.6 m-20 -85.83 -15.02 43.25 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.569 1.168 . . . . 75.109999999999999 109.318 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' TRP . . . . . 0.595 ' CZ3' ' OD1' ' A' ' 67' ' ' ASN . 5.9 t90 -93.9 -22.93 18.31 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.557 1.161 . . . . 75.400000000000006 108.016 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . 0.595 ' OD1' ' CZ3' ' A' ' 66' ' ' TRP . 52.6 m-20 -93.99 -50.06 5.49 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.471 1.107 . . . . 62.130000000000003 109.322 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.58 HG23 ' O ' ' A' ' 64' ' ' GLU . 91.0 t -61.62 -22.36 27.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.467 1.105 . . . . 55.210000000000001 109.281 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . 0.563 ' O ' HD23 ' A' ' 73' ' ' LEU . . . -75.09 -29.97 60.78 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.47 1.107 . . . . 75.329999999999998 109.273 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 6.8 mtmp? -72.7 -56.82 4.72 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.49 1.119 . . . . 65.530000000000001 109.324 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -52.54 -20.54 3.04 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.504 1.127 . . . . 74.430000000000007 110.33 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' MET . . . . . 0.546 ' HE3' HD22 ' A' ' 73' ' ' LEU . 13.2 ttp -75.3 -33.27 61.18 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.48 1.112 . . . . 72.310000000000002 110.983 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.852 HD21 HD12 ' A' ' 81' ' ' LEU . 0.3 OUTLIER -55.8 -60.43 3.47 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.524 1.14 . . . . 72.420000000000002 109.296 179.996 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -53.56 -20.93 5.62 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.556 1.16 . . . . 73.230000000000004 109.306 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 43.0 mt-10 -88.21 -26.69 22.25 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.51 1.131 . . . . 65.219999999999999 110.329 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' ASN . . . . . 0.574 ' N ' HD22 ' A' ' 76' ' ' ASN . 1.0 OUTLIER -93.54 7.1 45.94 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.509 1.13 . . . . 62.549999999999997 109.308 -179.981 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 36.5 m-80 40.42 34.18 0.22 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.502 1.126 . . . . 74.140000000000001 109.293 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . 0.763 ' HG3' HD13 ' A' ' 73' ' ' LEU . 9.6 pt-20 -108.86 169.66 8.53 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.47 1.106 . . . . 71.140000000000001 110.346 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 36.2 mmtt -122.81 17.8 10.22 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.505 1.128 . . . . 75.129999999999995 109.316 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 13.6 p90 -155.78 167.14 31.35 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.501 1.126 . . . . 61.32 110.988 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.852 HD12 HD21 ' A' ' 73' ' ' LEU . 3.6 tt -127.76 168.73 14.71 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.487 1.117 . . . . 52.420000000000002 109.318 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' ASN . . . . . 0.772 ' N ' HD23 ' A' ' 81' ' ' LEU . 2.2 t30 -131.73 140.46 49.26 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.511 1.132 . . . . 74.439999999999998 109.295 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . 0.572 HG13 ' CD2' ' A' ' 7' ' ' PHE . 19.6 mm -129.84 145.25 35.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.495 1.122 . . . . 74.510000000000005 109.325 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . 0.76 ' O ' HD22 ' A' ' 85' ' ' LEU . 53.1 ttt180 -121.98 154.79 36.74 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.496 1.122 . . . . 75.5 110.29 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.816 HD12 HG21 ' A' ' 45' ' ' ILE . 3.0 mm? -136.78 136.48 38.93 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.47 1.106 . . . . 71.230000000000004 109.318 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 2.0 t80 . . . . . 0 C--N 1.324 -0.503 0 O-C-N 124.469 1.105 . . . . 70.310000000000002 111.007 179.996 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' PRO . . . . . 0.443 ' C ' ' N ' ' A' ' 3' ' ' GLY . 18.2 Cg_endo . . . . . 0 N--CA 1.453 -0.91 0 N-CA-C 111.003 -0.422 . . . . 71.230000000000004 111.003 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 1.3 mt 41.82 28.94 0.1 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.507 1.129 . . . . 73.129999999999995 109.28 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . 0.443 ' N ' ' C ' ' A' ' 1' ' ' PRO . . . -119.09 59.32 0.52 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.462 1.102 . . . . 71.400000000000006 111.014 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . 0.505 ' CB ' HD11 ' A' ' 19' ' ' LEU . 0.8 OUTLIER -146.15 -178.83 6.34 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.466 0.745 . . . . 73.310000000000002 110.022 -179.969 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.622 HD13 HD12 ' A' ' 73' ' ' LEU . 15.1 mt -139.38 146.25 25.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.497 1.123 . . . . 62.200000000000003 109.246 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.918 HD13 ' N ' ' A' ' 7' ' ' PHE . 3.2 tm? -91.58 147.89 22.68 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.531 1.144 . . . . 72.150000000000006 109.284 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . 0.918 ' N ' HD13 ' A' ' 6' ' ' LEU . 1.6 m-85 -127.3 118.8 24.9 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.529 1.143 . . . . 74.319999999999993 111.012 179.944 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . 0.588 ' HB3' HG23 ' A' ' 15' ' ' ILE . 18.0 mmt180 -88.6 119.44 29.07 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.476 1.11 . . . . 74.239999999999995 110.333 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.432 ' HB ' ' CB ' ' A' ' 16' ' ' PHE . 4.1 mm -100.08 93.31 2.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.533 1.145 . . . . 72.030000000000001 109.268 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . 0.667 ' HB3' HD13 ' A' ' 15' ' ' ILE . 1.6 p -89.6 115.06 26.71 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.499 1.125 . . . . 44.509999999999998 110.036 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . 0.482 ' CG ' ' N ' ' A' ' 12' ' ' ASN . 80.6 t80 -131.47 175.49 9.11 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.5 1.125 . . . . 73.030000000000001 110.979 -179.952 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . 0.482 ' N ' ' CG ' ' A' ' 11' ' ' TYR . 46.4 t30 -38.97 -29.67 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.523 1.139 . . . . 74.140000000000001 109.283 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . 0.463 ' N ' ' O ' ' A' ' 11' ' ' TYR . 12.4 t -75.79 -80.48 0.09 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.44 1.088 . . . . 74.319999999999993 110.016 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -166.39 -158.78 0.34 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.497 1.123 . . . . 64.530000000000001 110.291 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.667 HD13 ' HB3' ' A' ' 10' ' ' SER . 2.2 mm -91.77 133.46 33.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.522 1.139 . . . . 62.530000000000001 109.326 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . 0.432 ' CB ' ' HB ' ' A' ' 9' ' ' ILE . 0.1 OUTLIER -109.7 -174.25 2.45 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.476 1.11 . . . . 71.230000000000004 111.026 -180.0 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.545 HG23 ' NH1' ' A' ' 8' ' ' ARG . 2.2 p -139.7 126.53 20.75 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.499 1.125 . . . . 63.399999999999999 110.377 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.735 HD22 ' N ' ' A' ' 19' ' ' LEU . 0.2 OUTLIER -137.86 114.94 10.85 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.53 1.144 . . . . 70.420000000000002 109.325 179.95 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.735 ' N ' HD22 ' A' ' 18' ' ' LEU . 0.2 OUTLIER -78.41 112.46 15.46 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.536 1.148 . . . . 71.150000000000006 109.273 -179.986 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.664 HG23 ' CE3' ' A' ' 24' ' ' TRP . 10.2 p -119.57 130.2 74.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.512 1.132 . . . . 74.540000000000006 109.272 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.568 ' HB2' ' CD1' ' A' ' 24' ' ' TRP . 11.6 mt-10 -69.66 167.31 17.25 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.532 1.145 . . . . 64.140000000000001 110.296 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . 0.415 ' O ' ' NZ ' ' A' ' 70' ' ' LYS . 8.7 mtpt -87.88 12.07 14.06 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.53 1.144 . . . . 72.409999999999997 109.327 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.501 HG12 ' HB3' ' A' ' 21' ' ' GLU . 0.2 OUTLIER -112.24 -32.92 2.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.457 1.098 . . . . 65.129999999999995 109.247 -179.976 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' TRP . . . . . 0.664 ' CE3' HG23 ' A' ' 20' ' ' VAL . 21.5 m0 -55.9 102.73 0.08 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.485 1.116 . . . . 73.140000000000001 108.012 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . 0.517 ' HA ' ' CE2' ' A' ' 66' ' ' TRP . 6.0 p-10 -65.25 179.68 0.71 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.528 1.142 . . . . 72.200000000000003 109.291 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . 0.627 ' CD1' ' N ' ' A' ' 27' ' ' ASP . 18.3 p90 -47.76 -43.95 27.8 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.47 1.106 . . . . 75.540000000000006 110.961 -179.959 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . 0.627 ' N ' ' CD1' ' A' ' 26' ' ' PHE . 26.9 t70 -61.29 -58.89 6.43 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.517 1.135 . . . . 71.349999999999994 109.311 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 19.8 t0 -59.45 -20.62 56.58 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.486 1.116 . . . . 73.540000000000006 109.282 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.715 ' CD2' HD21 ' A' ' 60' ' ' LEU . 1.7 tp -73.01 -59.41 2.72 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.481 1.113 . . . . 73.140000000000001 109.308 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 18.8 mm -49.55 -46.71 20.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.516 1.135 . . . . 74.040000000000006 109.282 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 3.4 mmt -62.5 -25.16 67.87 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.49 1.119 . . . . 64.140000000000001 111.018 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . 0.613 ' HB3' ' O ' ' A' ' 29' ' ' LEU . . . -63.12 -61.5 2.33 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.535 1.147 . . . . 73.230000000000004 109.284 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.595 ' H ' HD12 ' A' ' 33' ' ' ILE . 4.4 mp -59.29 -45.2 93.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.479 1.112 . . . . 72.200000000000003 109.296 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 1.2 m-80 -52.33 -21.76 3.87 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.484 1.115 . . . . 51.439999999999998 109.299 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 5.0 t -77.81 -42.06 35.06 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.489 1.118 . . . . 70.019999999999996 110.009 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 0.721 ' CE ' HD23 ' A' ' 18' ' ' LEU . 2.2 mptp? -68.63 -36.47 78.67 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.543 1.152 . . . . 72.409999999999997 109.267 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.701 HD13 HD11 ' A' ' 45' ' ' ILE . 0.6 OUTLIER -89.27 -1.54 9.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.492 1.12 . . . . 74.450000000000003 109.282 -179.99 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 38.8 t -56.2 -18.13 9.36 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.492 1.12 . . . . 71.040000000000006 109.984 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 28.2 t30 -41.39 -71.72 0.08 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.563 1.164 . . . . 72.310000000000002 109.313 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . 0.502 HG23 ' N ' ' A' ' 41' ' ' HIS . 2.9 t -57.62 -55.83 29.76 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.501 1.126 . . . . 74.099999999999994 110.454 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' HIS . . . . . 0.539 ' O ' ' CG ' ' A' ' 41' ' ' HIS . 48.8 t60 63.31 37.93 10.64 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.527 1.142 . . . . 73.25 109.62 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.767 HD12 ' HB2' ' A' ' 43' ' ' SER . 1.8 pp -119.46 -42.1 2.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.54 1.15 . . . . 72.409999999999997 109.271 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . 0.767 ' HB2' HD12 ' A' ' 42' ' ' ILE . 4.5 t -150.85 95.2 3.46 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.532 1.145 . . . . 72.329999999999998 109.988 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -162.28 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.492 1.785 . . . . 74.530000000000001 110.99 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . 0.76 HG12 HD21 ' A' ' 85' ' ' LEU . 1.3 pp -144.83 110.8 1.21 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.525 1.141 . . . . 74.030000000000001 109.263 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 11.0 p -86.21 -14.23 44.54 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.507 1.13 . . . . 71.319999999999993 110.424 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 1.3 mmmm -113.4 122.15 46.49 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.471 1.107 . . . . 71.340000000000003 109.339 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 3.7 pt -125.43 169.09 17.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.519 1.137 . . . . 65.099999999999994 109.276 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . 0.482 ' HD2' HH21 ' A' ' 84' ' ' ARG . 26.9 mttp -128.13 107.42 9.79 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.508 1.13 . . . . 74.200000000000003 109.307 179.945 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' TYR . . . . . 0.706 ' HB2' HD11 ' A' ' 81' ' ' LEU . 10.6 p90 -97.46 148.86 22.78 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.512 1.133 . . . . 72.329999999999998 111.031 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 50.5 tt0 -77.13 147.57 36.5 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.533 1.145 . . . . 73.409999999999997 110.297 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -110.82 -172.84 2.11 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.498 1.124 . . . . 71.109999999999999 109.28 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . 0.485 ' CB ' ' OD1' ' A' ' 76' ' ' ASN . 2.0 pp20? -66.6 -31.73 72.6 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.496 1.122 . . . . 73.219999999999999 110.272 -179.952 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 5.5 t0 -89.18 14.41 10.94 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.534 1.146 . . . . 53.210000000000001 109.332 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 56.52 16.83 17.34 Favored Glycine 0 CA--C 1.531 1.066 0 O-C-N 124.514 1.134 . . . . 75.549999999999997 110.976 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 24.4 m-20 -88.87 105.99 18.1 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.511 0.771 . . . . 64.010000000000005 109.273 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . 0.432 ' CD1' ' O ' ' A' ' 57' ' ' PHE . 17.2 p90 -50.05 119.19 3.41 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.513 1.133 . . . . 63.039999999999999 111.051 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.626 HG23 ' CE1' ' A' ' 50' ' ' TYR . 0.1 OUTLIER -122.75 149.18 26.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.482 1.114 . . . . 64.329999999999998 109.31 -179.963 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 7.2 p -74.77 146.85 9.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.53 1.144 . . . . 72.150000000000006 109.318 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.999 HD12 ' N ' ' A' ' 61' ' ' GLY . 0.3 OUTLIER -136.35 125.21 24.09 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.475 1.11 . . . . 72.319999999999993 109.272 -179.983 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . 0.999 ' N ' HD12 ' A' ' 60' ' ' LEU . . . -165.22 29.17 0.21 Allowed Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.51 1.131 . . . . 55.5 111.025 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 75.6 m -158.4 -179.47 8.12 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.513 0.772 . . . . 75.319999999999993 110.003 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . 0.572 ' OD1' ' CE3' ' A' ' 66' ' ' TRP . 8.1 t70 -77.45 -29.62 52.92 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.471 1.107 . . . . 64.519999999999996 109.292 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . 0.694 ' O ' HG23 ' A' ' 68' ' ' VAL . 8.7 pt-20 -67.33 -38.66 85.25 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.546 1.154 . . . . 64.219999999999999 110.314 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . 0.449 ' O ' ' HB2' ' A' ' 69' ' ' ALA . 10.2 m-20 -84.85 -14.48 47.81 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.512 1.133 . . . . 62.509999999999998 109.309 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' TRP . . . . . 0.594 ' CZ3' ' OD1' ' A' ' 67' ' ' ASN . 5.3 t90 -94.26 -23.44 17.86 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.518 1.136 . . . . 54.43 107.995 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . 0.594 ' OD1' ' CZ3' ' A' ' 66' ' ' TRP . 34.7 m-20 -93.2 -51.7 4.89 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.497 1.123 . . . . 71.329999999999998 109.262 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.694 HG23 ' O ' ' A' ' 64' ' ' GLU . 61.3 t -61.98 -15.09 13.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.131 . . . . 63.409999999999997 109.326 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . 0.449 ' HB2' ' O ' ' A' ' 65' ' ' ASP . . . -89.32 -42.52 11.53 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.485 1.116 . . . . 73.420000000000002 109.271 -179.959 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . 0.415 ' NZ ' ' O ' ' A' ' 22' ' ' LYS . 9.3 mtmt -69.85 -59.44 2.93 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.48 1.113 . . . . 74.409999999999997 109.284 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 37.4 mt-10 -46.54 -25.88 0.77 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.519 1.137 . . . . 53.240000000000002 110.366 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' MET . . . . . 0.447 ' CG ' ' HB3' ' A' ' 53' ' ' GLU . 11.7 tpp -73.79 -41.6 62.15 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.501 1.126 . . . . 63.240000000000002 110.988 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.622 HD12 HD13 ' A' ' 5' ' ' ILE . 5.9 mt -47.27 -45.16 23.7 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.524 1.14 . . . . 51.350000000000001 109.309 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -57.24 -35.12 69.32 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.473 1.108 . . . . 73.120000000000005 109.309 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . 0.429 ' N ' ' O ' ' A' ' 72' ' ' MET . 6.0 mm-40 -81.82 -26.04 34.67 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.484 1.115 . . . . 44.32 110.292 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' ASN . . . . . 0.485 ' OD1' ' CB ' ' A' ' 53' ' ' GLU . 81.6 m-20 -83.55 -11.95 56.75 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.481 1.113 . . . . 72.409999999999997 109.346 179.949 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 2.8 m-80 60.55 34.65 20.27 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.47 1.106 . . . . 72.0 109.291 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . 0.454 ' HB2' ' CD1' ' A' ' 80' ' ' PHE . 8.9 pt-20 -123.46 147.4 47.21 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.496 1.122 . . . . 74.140000000000001 110.293 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 6.0 mmpt? -111.72 35.36 3.7 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.473 1.108 . . . . 73.230000000000004 109.305 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' PHE . . . . . 0.454 ' CD1' ' HB2' ' A' ' 78' ' ' GLU . 9.1 p90 -147.37 176.81 9.72 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.519 1.137 . . . . 73.030000000000001 111.03 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.795 HD13 ' H ' ' A' ' 82' ' ' ASN . 0.5 OUTLIER -142.37 159.62 41.87 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.489 1.118 . . . . 64.140000000000001 109.287 -179.973 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' ASN . . . . . 0.795 ' H ' HD13 ' A' ' 81' ' ' LEU . 1.0 OUTLIER -133.44 109.58 9.4 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.462 1.102 . . . . 74.019999999999996 109.297 179.98 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . 0.556 HD13 ' HA ' ' A' ' 50' ' ' TYR . 27.6 mm -104.71 156.06 6.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.52 1.138 . . . . 73.329999999999998 109.322 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . 0.482 HH21 ' HD2' ' A' ' 49' ' ' LYS . 14.2 ttp85 -122.32 150.25 42.64 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.496 1.122 . . . . 75.329999999999998 110.316 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.76 HD21 HG12 ' A' ' 45' ' ' ILE . 7.6 tp -140.52 123.84 16.81 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.529 1.143 . . . . 71.420000000000002 109.264 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 19.6 p90 . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.435 1.084 . . . . 65.439999999999998 111.034 179.942 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 N--CA 1.452 -0.915 0 N-CA-C 111.04 -0.408 . . . . 63.409999999999997 111.04 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . 0.583 HD23 ' H ' ' A' ' 2' ' ' LEU . 0.2 OUTLIER -93.24 151.09 20.03 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.484 1.115 . . . . 75.099999999999994 109.297 179.974 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . 0.429 ' CA ' ' HD2' ' A' ' 22' ' ' LYS . . . 100.6 70.39 0.91 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.497 1.123 . . . . 61.520000000000003 110.961 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -133.77 153.78 51.47 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.456 0.739 . . . . 72.129999999999995 110.0 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.68 HD11 ' NZ ' ' A' ' 22' ' ' LYS . 10.6 mt -129.55 148.75 33.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.538 1.149 . . . . 62.420000000000002 109.296 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.871 HD22 ' H ' ' A' ' 7' ' ' PHE . 0.8 OUTLIER -102.18 147.28 26.82 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.48 1.113 . . . . 63.43 109.3 179.967 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . 0.871 ' H ' HD22 ' A' ' 6' ' ' LEU . 2.3 m-85 -127.6 122.83 34.18 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.5 1.125 . . . . 73.200000000000003 111.027 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . 0.871 ' HG2' HG22 ' A' ' 17' ' ' THR . 11.3 mtm180 -103.52 90.05 3.55 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.478 1.111 . . . . 65.099999999999994 110.252 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.664 ' H ' HD12 ' A' ' 9' ' ' ILE . 4.3 mp -66.17 147.96 12.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.505 1.128 . . . . 72.25 109.305 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . 0.847 ' OG ' HG23 ' A' ' 15' ' ' ILE . 11.3 m -151.17 111.52 4.16 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.465 1.103 . . . . 60.439999999999998 110.001 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . 0.555 ' CG ' ' N ' ' A' ' 12' ' ' ASN . 58.1 t80 -133.51 173.97 10.92 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.452 1.095 . . . . 72.420000000000002 111.027 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . 0.555 ' N ' ' CG ' ' A' ' 11' ' ' TYR . 32.0 t30 -38.91 -29.32 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.519 1.137 . . . . 62.140000000000001 109.304 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . 0.5 ' O ' ' CG ' ' A' ' 14' ' ' GLU . 11.7 t -68.16 -83.33 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.491 1.119 . . . . 64.319999999999993 109.937 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . 0.5 ' CG ' ' O ' ' A' ' 13' ' ' SER . 24.3 mt-10 -161.54 -173.56 3.83 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.532 1.145 . . . . 70.120000000000005 110.3 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.847 HG23 ' OG ' ' A' ' 10' ' ' SER . 1.5 mp -103.66 118.37 50.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.503 1.127 . . . . 64.430000000000007 109.327 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . 0.412 ' O ' ' HA ' ' A' ' 8' ' ' ARG . 22.0 m-85 -120.46 178.62 4.6 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.543 1.152 . . . . 71.209999999999994 111.011 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.871 HG22 ' HG2' ' A' ' 8' ' ' ARG . 26.4 p -125.46 153.59 43.29 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.502 1.126 . . . . 61.210000000000001 110.4 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.683 HD23 ' C ' ' A' ' 18' ' ' LEU . 4.5 tt -155.76 127.44 7.36 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.495 1.122 . . . . 55.009999999999998 109.307 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.583 ' N ' HD23 ' A' ' 18' ' ' LEU . 0.2 OUTLIER -86.01 115.93 23.91 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.487 1.117 . . . . 34.32 109.287 179.989 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.605 HG11 ' CD1' ' A' ' 7' ' ' PHE . 2.9 p -116.72 115.58 49.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.491 1.12 . . . . 51.100000000000001 109.285 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.506 ' HB3' HG12 ' A' ' 23' ' ' VAL . 10.6 mm-40 -58.72 169.53 0.95 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.488 1.118 . . . . 42.420000000000002 110.307 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . 0.68 ' NZ ' HD11 ' A' ' 5' ' ' ILE . 40.8 mttm -87.58 11.33 15.25 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.498 1.124 . . . . 74.219999999999999 109.287 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.506 HG12 ' HB3' ' A' ' 21' ' ' GLU . 0.2 OUTLIER -112.15 -15.26 10.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.496 1.122 . . . . 74.120000000000005 109.332 179.978 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' TRP . . . . . 0.486 ' CD1' ' HB2' ' A' ' 21' ' ' GLU . 21.3 m0 -75.94 87.21 2.89 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.514 1.134 . . . . 72.319999999999993 108.024 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . 0.413 ' OD1' ' N ' ' A' ' 25' ' ' ASN . 6.9 p-10 -52.3 -179.82 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.505 1.128 . . . . 64.129999999999995 109.356 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . 0.524 ' CD1' ' N ' ' A' ' 27' ' ' ASP . 33.0 p90 -48.07 -39.65 20.8 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.48 1.112 . . . . 72.340000000000003 110.984 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . 0.524 ' N ' ' CD1' ' A' ' 26' ' ' PHE . 15.6 t70 -63.39 -63.68 1.12 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.485 1.116 . . . . 72.219999999999999 109.317 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . 0.467 ' HB2' ' CA ' ' A' ' 24' ' ' TRP . 8.0 m-20 -53.86 -24.37 15.63 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.53 1.144 . . . . 73.329999999999998 109.316 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.531 HD21 HD11 ' A' ' 48' ' ' ILE . 2.2 tp -69.06 -51.32 40.05 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.511 1.132 . . . . 62.130000000000003 109.242 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.401 HD13 ' HA ' ' A' ' 30' ' ' ILE . 28.0 mm -64.67 -40.17 88.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.542 1.151 . . . . 63.520000000000003 109.303 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 11.2 mmt -66.4 -24.86 66.54 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.537 1.148 . . . . 74.430000000000007 110.979 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -69.58 -64.06 0.95 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.453 1.095 . . . . 75.140000000000001 109.266 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.516 ' O ' HG23 ' A' ' 37' ' ' ILE . 3.8 mp -58.51 -34.9 52.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.531 1.145 . . . . 65.109999999999999 109.293 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -60.28 -20.26 58.34 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.524 1.14 . . . . 74.239999999999995 109.291 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 11.7 t -82.49 -47.04 12.65 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.462 1.102 . . . . 61.219999999999999 109.967 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 0.63 ' HD3' HD12 ' A' ' 18' ' ' LEU . 0.6 OUTLIER -63.54 -36.88 85.24 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.53 1.144 . . . . 71.340000000000003 109.26 -179.947 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.546 HD12 HG13 ' A' ' 45' ' ' ILE . 1.4 pt -84.57 -13.18 11.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.547 1.154 . . . . 72.439999999999998 109.309 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 17.8 t -39.3 -30.01 0.05 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.482 1.114 . . . . 74.299999999999997 109.997 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . 0.437 ' N ' ' C ' ' A' ' 37' ' ' ILE . 1.3 t30 -41.88 -50.47 4.45 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.502 1.126 . . . . 62.310000000000002 109.301 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 16.8 p -73.91 131.81 41.84 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.499 1.125 . . . . 73.129999999999995 110.39 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -105.99 18.91 21.36 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.543 1.152 . . . . 71.219999999999999 109.589 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.494 ' O ' ' CB ' ' A' ' 43' ' ' SER . 6.0 pt -84.88 -41.5 15.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.483 1.115 . . . . 64.430000000000007 109.309 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . 0.494 ' CB ' ' O ' ' A' ' 42' ' ' ILE . 2.2 p 159.84 141.25 0.01 OUTLIER Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.549 1.156 . . . . 73.140000000000001 109.97 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -162.18 0.14 Allowed 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.507 1.793 . . . . 75.299999999999997 110.992 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . 0.659 HD12 ' O ' ' A' ' 45' ' ' ILE . 1.4 pp -139.8 134.37 37.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.439 1.087 . . . . 71.299999999999997 109.289 -179.956 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 9.9 t -94.47 -41.98 9.09 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.5 1.125 . . . . 73.140000000000001 110.421 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 3.6 ptpp? -89.12 135.48 33.54 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.503 1.127 . . . . 71.140000000000001 109.287 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.58 HG22 HD11 ' A' ' 85' ' ' LEU . 17.6 pt -133.46 131.72 57.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.488 1.117 . . . . 72.230000000000004 109.324 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 4.8 mmtp -88.98 110.21 20.93 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.44 1.087 . . . . 70.310000000000002 109.276 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' TYR . . . . . 0.726 ' CE1' HG23 ' A' ' 58' ' ' VAL . 6.5 p90 -108.3 143.34 37.31 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.476 1.11 . . . . 52.109999999999999 111.024 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 24.7 tt0 -76.13 148.28 37.95 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.494 1.121 . . . . 72.310000000000002 110.32 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 30.3 p30 -120.12 -173.35 2.54 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.507 1.129 . . . . 74.439999999999998 109.296 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 16.2 pt-20 -58.53 -49.11 78.58 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.474 1.109 . . . . 70.109999999999999 110.285 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 25.1 t0 -49.77 -23.63 1.93 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.469 1.105 . . . . 75.310000000000002 109.349 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 91.46 13.09 58.9 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.457 1.098 . . . . 55.240000000000002 110.977 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 81.1 m-20 -103.24 160.74 14.41 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.51 0.77 . . . . 73.409999999999997 109.261 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 2.5 m-85 -96.29 117.21 30.35 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.502 1.126 . . . . 72.299999999999997 110.996 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.726 HG23 ' CE1' ' A' ' 50' ' ' TYR . 0.4 OUTLIER -117.56 142.88 29.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.509 1.131 . . . . 73.349999999999994 109.324 -179.984 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 26.6 t -57.56 152.14 3.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 O-C-N 124.528 1.142 . . . . 72.530000000000001 109.303 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.645 HD12 ' N ' ' A' ' 61' ' ' GLY . 0.6 OUTLIER -149.23 118.8 6.95 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.502 1.126 . . . . 74.299999999999997 109.309 179.986 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . 0.645 ' N ' HD12 ' A' ' 60' ' ' LEU . . . -156.86 27.99 0.53 Allowed Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.53 1.144 . . . . 62.409999999999997 110.976 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 52.4 m -147.68 168.78 21.19 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.537 0.787 . . . . 65.430000000000007 110.017 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -74.26 -30.03 61.94 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.501 1.126 . . . . 73.430000000000007 109.309 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . 0.481 ' O ' ' CG2' ' A' ' 68' ' ' VAL . 7.1 tt0 -77.02 -16.26 59.35 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.504 1.127 . . . . 74.400000000000006 110.327 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . 0.408 ' C ' HD13 ' A' ' 60' ' ' LEU . 34.6 m-20 -102.27 -18.35 15.5 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.469 1.106 . . . . 52.530000000000001 109.263 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' TRP . . . . . 0.598 ' CE3' ' O ' ' A' ' 66' ' ' TRP . 3.5 t-105 -96.07 -23.79 16.63 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.514 1.134 . . . . 75.129999999999995 107.994 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 6.2 t30 -88.54 -47.7 8.12 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.511 1.132 . . . . 71.230000000000004 109.297 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.481 ' CG2' ' O ' ' A' ' 64' ' ' GLU . 55.6 t -60.94 -28.3 43.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.476 1.11 . . . . 74.510000000000005 109.282 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . 0.61 ' HB2' ' CE2' ' A' ' 50' ' ' TYR . . . -77.62 -32.93 53.77 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.47 1.106 . . . . 72.430000000000007 109.279 -179.946 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . 0.557 ' HD3' ' CH2' ' A' ' 66' ' ' TRP . 3.4 mtmp? -70.9 -57.56 4.47 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.512 1.132 . . . . 74.219999999999999 109.314 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -48.99 -23.15 1.03 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.522 1.139 . . . . 73.450000000000003 110.263 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' MET . . . . . 0.426 ' O ' ' N ' ' A' ' 75' ' ' GLU . 6.0 ttm -76.62 -38.63 54.38 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.547 1.154 . . . . 64.219999999999999 110.991 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.432 HD11 HD12 ' A' ' 81' ' ' LEU . 14.0 mt -47.24 -52.59 15.6 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.542 1.152 . . . . 64.209999999999994 109.314 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -54.2 -29.71 47.1 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.506 1.129 . . . . 53.200000000000003 109.318 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . 0.426 ' N ' ' O ' ' A' ' 72' ' ' MET . 59.3 mt-10 -83.52 -27.98 28.98 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.454 1.096 . . . . 74.519999999999996 110.27 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' ASN . . . . . 0.403 ' CB ' ' CD ' ' A' ' 78' ' ' GLU . 75.3 m-20 -89.1 13.56 12.8 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.526 1.141 . . . . 72.329999999999998 109.295 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . 0.403 ' C ' ' O ' ' A' ' 76' ' ' ASN . 39.8 m-80 40.44 32.89 0.15 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.518 1.136 . . . . 75.109999999999999 109.305 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . 0.48 ' HB2' ' CE2' ' A' ' 80' ' ' PHE . 6.2 pt-20 -128.19 121.28 29.06 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.484 1.115 . . . . 72.329999999999998 110.287 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 1.4 tppp? -87.53 5.08 40.97 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.544 1.153 . . . . 72.219999999999999 109.265 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' PHE . . . . . 0.48 ' CE2' ' HB2' ' A' ' 78' ' ' GLU . 10.6 p90 -114.27 155.43 26.18 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.509 1.131 . . . . 73.439999999999998 111.013 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.792 HD23 ' N ' ' A' ' 82' ' ' ASN . 2.7 tt -127.61 165.82 19.24 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.499 1.125 . . . . 71.299999999999997 109.307 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' ASN . . . . . 0.792 ' N ' HD23 ' A' ' 81' ' ' LEU . 1.3 t30 -136.69 136.81 39.37 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.447 1.092 . . . . 75.219999999999999 109.273 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . 0.663 HD13 ' HA ' ' A' ' 50' ' ' TYR . 47.6 mm -133.37 145.22 34.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.529 1.143 . . . . 60.229999999999997 109.311 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . 0.484 ' CG ' ' O ' ' A' ' 84' ' ' ARG . 0.6 OUTLIER -139.65 123.66 17.73 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.559 1.162 . . . . 73.530000000000001 110.309 179.978 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.58 HD11 HG22 ' A' ' 48' ' ' ILE . 3.5 mm? -98.78 149.81 22.49 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.511 1.132 . . . . 70.420000000000002 109.341 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 7.8 t80 . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.496 1.122 . . . . 63.329999999999998 111.0 -179.971 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 N--CA 1.453 -0.884 0 N-CA-C 110.969 -0.435 . . . . 72.010000000000005 110.969 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 10.7 mt -89.98 -175.1 4.48 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.521 1.138 . . . . 62.020000000000003 109.345 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 49.87 42.53 38.1 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.517 1.136 . . . . 54.219999999999999 111.002 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -135.91 161.32 35.97 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.505 0.767 . . . . 62.140000000000001 110.036 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.638 HD13 HD12 ' A' ' 73' ' ' LEU . 32.4 mt -138.59 143.19 32.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.487 1.117 . . . . 60.200000000000003 109.292 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.983 HD13 ' N ' ' A' ' 7' ' ' PHE . 2.9 tm? -96.66 148.19 23.12 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 53.439999999999998 109.286 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . 0.983 ' N ' HD13 ' A' ' 6' ' ' LEU . 1.5 m-85 -124.73 120.79 32.8 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.533 1.145 . . . . 61.310000000000002 111.037 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . 0.533 ' HB3' HG23 ' A' ' 15' ' ' ILE . 9.1 mtt180 -89.08 114.28 25.5 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.49 1.118 . . . . 75.530000000000001 110.318 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.882 HG23 HD23 ' A' ' 85' ' ' LEU . 4.1 mm -95.25 103.08 14.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.453 1.096 . . . . 75.310000000000002 109.295 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . 0.787 ' HB2' HD13 ' A' ' 15' ' ' ILE . 2.3 t -97.17 117.83 32.25 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.533 1.146 . . . . 75.019999999999996 110.035 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . 0.457 ' C ' ' N ' ' A' ' 13' ' ' SER . 47.1 t80 -132.18 178.7 6.6 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.492 1.12 . . . . 73.439999999999998 111.002 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . 0.449 ' N ' ' CD2' ' A' ' 11' ' ' TYR . 4.3 m120 -39.64 -29.36 0.06 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.538 1.149 . . . . 62.409999999999997 109.311 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . 0.457 ' N ' ' C ' ' A' ' 11' ' ' TYR . 5.2 t -78.84 -92.34 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.486 1.116 . . . . 73.109999999999999 109.988 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 24.7 mt-10 -155.55 -174.36 4.93 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.54 1.15 . . . . 70.150000000000006 110.272 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.787 HD13 ' HB2' ' A' ' 10' ' ' SER . 1.8 mm -73.95 132.57 33.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.498 1.124 . . . . 61.130000000000003 109.329 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . 0.443 ' CB ' ' HB ' ' A' ' 9' ' ' ILE . 0.0 OUTLIER -107.36 -171.65 1.92 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.51 1.131 . . . . 63.350000000000001 111.01 -179.964 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 2.1 p -139.15 129.78 25.94 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.503 1.127 . . . . 72.129999999999995 110.39 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.568 HD22 ' N ' ' A' ' 19' ' ' LEU . 0.5 OUTLIER -142.96 109.25 5.3 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.527 1.142 . . . . 71.340000000000003 109.312 -179.987 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.568 ' N ' HD22 ' A' ' 18' ' ' LEU . 0.4 OUTLIER -73.54 115.36 12.84 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.488 1.117 . . . . 72.340000000000003 109.313 179.974 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.534 HG23 ' CE3' ' A' ' 24' ' ' TRP . 15.0 p -123.49 121.3 62.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.516 1.135 . . . . 65.310000000000002 109.312 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.566 ' HB2' ' CD1' ' A' ' 24' ' ' TRP . 71.2 mt-10 -62.19 168.62 3.25 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.493 1.121 . . . . 73.420000000000002 110.304 179.942 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 10.3 mtpt -89.69 15.48 9.54 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.507 1.129 . . . . 71.439999999999998 109.323 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.498 HG12 ' HB3' ' A' ' 21' ' ' GLU . 0.2 OUTLIER -115.02 -37.16 2.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.468 1.105 . . . . 71.209999999999994 109.281 179.994 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' TRP . . . . . 0.566 ' CD1' ' HB2' ' A' ' 21' ' ' GLU . 17.3 m0 -51.58 105.87 0.12 Allowed 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 107.99 -1.115 . . . . 65.450000000000003 107.99 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 19.4 p-10 -61.78 -179.79 0.21 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.527 1.142 . . . . 74.109999999999999 109.311 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . 0.4 ' CG ' ' N ' ' A' ' 27' ' ' ASP . 49.6 p90 -54.58 -38.78 67.12 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.499 1.124 . . . . 72.540000000000006 111.002 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . 0.4 ' N ' ' CG ' ' A' ' 26' ' ' PHE . 12.4 t0 -59.73 -64.73 0.84 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.548 1.155 . . . . 71.030000000000001 109.311 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 78.1 m-20 -54.1 -27.07 30.61 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.537 1.148 . . . . 63.030000000000001 109.321 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 1.037 HD21 HD21 ' A' ' 60' ' ' LEU . 1.3 tp -66.06 -60.96 2.32 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.525 1.141 . . . . 75.239999999999995 109.309 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.446 HD13 ' HA ' ' A' ' 30' ' ' ILE . 22.2 mm -51.28 -34.16 14.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.471 1.107 . . . . 62.219999999999999 109.318 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 11.1 mmt -80.32 -24.44 39.91 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.51 1.131 . . . . 73.030000000000001 111.012 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -67.95 -41.78 81.95 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.476 1.11 . . . . 73.019999999999996 109.284 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.613 ' O ' HG23 ' A' ' 37' ' ' ILE . 2.0 mp -77.64 -41.35 28.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.507 1.129 . . . . 54.43 109.287 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 1.5 m-80 -64.31 -12.94 46.83 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.509 1.131 . . . . 75.549999999999997 109.285 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 35.7 t -90.53 -29.82 17.64 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.533 1.146 . . . . 72.25 110.007 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 0.501 ' CD ' HD23 ' A' ' 18' ' ' LEU . 9.3 mptt -83.31 -35.88 24.89 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.524 1.14 . . . . 63.140000000000001 109.307 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.617 HD13 HD11 ' A' ' 45' ' ' ILE . 0.9 OUTLIER -86.05 -12.61 11.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.555 1.159 . . . . 71.150000000000006 109.286 180.0 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . 0.44 ' C ' ' N ' ' A' ' 40' ' ' THR . 0.8 OUTLIER -59.05 -16.15 17.31 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.469 1.105 . . . . 62.409999999999997 110.004 179.955 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 6.9 p-10 -40.44 -30.09 0.1 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.504 1.127 . . . . 71.450000000000003 109.285 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . 0.44 ' N ' ' C ' ' A' ' 38' ' ' SER . 69.1 p -86.32 -54.17 4.59 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.469 1.105 . . . . 72.549999999999997 110.418 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 14.9 t60 66.03 46.4 2.18 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.497 1.123 . . . . 71.230000000000004 109.545 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.41 HG13 ' N ' ' A' ' 43' ' ' SER . 24.5 pt -127.42 -45.26 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.457 1.098 . . . . 61.219999999999999 109.285 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . 0.41 ' N ' HG13 ' A' ' 42' ' ' ILE . 7.4 t -168.1 93.95 0.62 Allowed Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.52 1.137 . . . . 71.019999999999996 110.023 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -162.14 0.14 Allowed 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.488 1.783 . . . . 61.119999999999997 111.011 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . 0.651 HG12 HD12 ' A' ' 85' ' ' LEU . 1.4 pp -132.09 104.93 8.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.521 1.138 . . . . 61.130000000000003 109.306 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 24.9 p -69.05 -14.12 62.84 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.466 1.104 . . . . 75.420000000000002 110.38 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 24.0 mtpp -123.25 132.95 54.21 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.492 1.12 . . . . 71.450000000000003 109.288 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.553 HG22 HD11 ' A' ' 85' ' ' LEU . 20.2 pt -122.85 160.06 25.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.474 1.109 . . . . 62.399999999999999 109.3 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . 0.552 ' NZ ' HG23 ' A' ' 59' ' ' VAL . 21.8 tttp -122.54 109.64 14.58 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.503 1.127 . . . . 72.510000000000005 109.286 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' TYR . . . . . 0.783 ' CE2' ' HB2' ' A' ' 69' ' ' ALA . 9.7 p90 -100.65 149.0 24.22 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.447 1.092 . . . . 63.409999999999997 111.009 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . 0.478 ' O ' ' CD2' ' A' ' 50' ' ' TYR . 44.5 tt0 -66.75 152.74 44.91 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.542 1.151 . . . . 70.340000000000003 110.3 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 16.1 t0 -114.05 -174.59 2.5 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.505 1.128 . . . . 72.109999999999999 109.323 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . 0.43 ' N ' ' SD ' ' A' ' 72' ' ' MET . 4.6 pt-20 -75.61 -19.6 59.12 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.514 1.134 . . . . 74.019999999999996 110.282 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -87.23 10.56 16.6 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.481 1.113 . . . . 75.010000000000005 109.27 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 65.04 12.7 55.78 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.541 1.15 . . . . 63.439999999999998 111.0 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -103.42 153.05 20.91 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.49 0.759 . . . . 75.129999999999995 109.313 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 5.1 m-85 -79.65 135.51 36.58 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.492 1.12 . . . . 72.420000000000002 111.049 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.486 HG23 ' O ' ' A' ' 50' ' ' TYR . 0.2 OUTLIER -134.48 144.27 35.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.522 1.139 . . . . 73.299999999999997 109.329 -180.0 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.552 HG23 ' NZ ' ' A' ' 49' ' ' LYS . 48.8 t -66.73 163.84 2.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.495 1.122 . . . . 74.450000000000003 109.338 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 1.037 HD21 HD21 ' A' ' 29' ' ' LEU . 0.3 OUTLIER -156.55 115.17 3.36 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.492 1.12 . . . . 72.519999999999996 109.311 -179.951 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . 0.701 ' N ' HD12 ' A' ' 60' ' ' LEU . . . -152.57 21.3 0.82 Allowed Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.485 1.115 . . . . 63.109999999999999 110.997 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 22.8 m -153.35 -176.41 5.79 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.532 0.784 . . . . 60.140000000000001 110.01 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 10.7 t0 -80.27 -26.5 38.91 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.529 1.143 . . . . 72.349999999999994 109.279 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . 0.491 ' O ' ' CG2' ' A' ' 68' ' ' VAL . 6.9 pt-20 -70.52 -14.64 62.6 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.536 1.147 . . . . 62.049999999999997 110.281 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -112.22 -14.86 13.31 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.498 1.124 . . . . 61.420000000000002 109.291 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' TRP . . . . . 0.518 ' CE2' ' HD3' ' A' ' 70' ' ' LYS . 0.1 OUTLIER -94.37 -23.3 17.84 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.503 1.127 . . . . 73.340000000000003 107.99 -179.996 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 8.1 t30 -95.99 -34.87 11.61 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.52 1.138 . . . . 65.430000000000007 109.279 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.491 ' CG2' ' O ' ' A' ' 64' ' ' GLU . 4.2 t -66.55 -22.68 30.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.556 1.16 . . . . 61.32 109.322 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . 0.783 ' HB2' ' CE2' ' A' ' 50' ' ' TYR . . . -90.3 -44.05 9.96 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.481 1.113 . . . . 72.439999999999998 109.311 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . 0.518 ' HD3' ' CE2' ' A' ' 66' ' ' TRP . 14.8 mtpp -60.45 -41.52 94.27 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.482 1.114 . . . . 73.019999999999996 109.292 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 47.7 mm-40 -70.45 -22.81 62.66 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.49 1.119 . . . . 74.019999999999996 110.3 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' MET . . . . . 0.43 ' SD ' ' N ' ' A' ' 53' ' ' GLU . 9.7 ttp -76.59 -29.09 56.42 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.51 1.131 . . . . 71.109999999999999 110.972 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.638 HD12 HD13 ' A' ' 5' ' ' ILE . 4.6 mt -62.29 -38.73 90.5 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.494 1.121 . . . . 61.310000000000002 109.33 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -65.19 -29.46 70.28 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.516 1.135 . . . . 54.240000000000002 109.312 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 64.9 mt-10 -84.82 -26.72 27.27 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.461 1.101 . . . . 62.539999999999999 110.314 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' ASN . . . . . 0.518 ' N ' HD22 ' A' ' 76' ' ' ASN . 1.5 m-80 -90.79 -12.13 37.35 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.514 1.134 . . . . 71.299999999999997 109.33 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 33.1 m-80 62.01 43.43 9.01 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.56 1.163 . . . . 71.040000000000006 109.307 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . 0.408 ' CD ' HD22 ' A' ' 73' ' ' LEU . 13.9 pt-20 -121.23 163.97 17.68 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.503 1.127 . . . . 75.219999999999999 110.29 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . 0.68 ' H ' ' HZ3' ' A' ' 79' ' ' LYS . 0.0 OUTLIER -121.02 -1.66 9.81 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.467 1.104 . . . . 74.230000000000004 109.301 -179.977 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 32.4 p90 -122.11 173.72 7.39 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.495 1.122 . . . . 63.229999999999997 111.045 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.768 HD21 ' HB2' ' A' ' 50' ' ' TYR . 0.7 OUTLIER -134.09 173.76 11.23 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.509 1.131 . . . . 72.129999999999995 109.318 179.999 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' ASN . . . . . 0.671 ' H ' HD23 ' A' ' 81' ' ' LEU . 1.5 t30 -135.34 105.78 6.41 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.526 1.141 . . . . 63.310000000000002 109.305 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . 0.759 HD11 HD22 ' A' ' 81' ' ' LEU . 23.7 mm -104.86 146.68 11.76 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.515 1.135 . . . . 74.200000000000003 109.289 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . 0.646 ' C ' HD22 ' A' ' 85' ' ' LEU . 15.8 ttm-85 -118.92 140.11 50.53 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.498 1.124 . . . . 72.209999999999994 110.274 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.882 HD23 HG23 ' A' ' 9' ' ' ILE . 2.9 mm? -137.28 116.65 12.73 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.536 1.147 . . . . 72.329999999999998 109.32 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 7.8 t80 . . . . . 0 C--N 1.325 -0.489 0 O-C-N 124.531 1.144 . . . . 73.400000000000006 110.955 -179.962 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' PRO . . . . . 0.922 ' O ' HD12 ' A' ' 2' ' ' LEU . 18.3 Cg_endo . . . . . 0 N--CA 1.453 -0.86 0 N-CA-C 111.007 -0.42 . . . . 72.010000000000005 111.007 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . 0.922 HD12 ' O ' ' A' ' 1' ' ' PRO . 0.5 OUTLIER 40.03 30.02 0.06 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.542 1.151 . . . . 75.510000000000005 109.313 179.954 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . 0.443 ' N ' ' C ' ' A' ' 1' ' ' PRO . . . -116.12 41.0 2.24 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.488 1.117 . . . . 71.299999999999997 110.981 -179.957 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . 0.406 ' HB2' HD11 ' A' ' 19' ' ' LEU . 0.1 OUTLIER -137.94 151.25 47.78 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.505 0.767 . . . . 72.140000000000001 109.971 -179.999 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.438 HG13 ' CE ' ' A' ' 22' ' ' LYS . 71.0 mt -134.13 155.91 40.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.503 1.127 . . . . 72.299999999999997 109.282 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -102.63 154.96 18.63 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.481 1.113 . . . . 73.200000000000003 109.328 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . 0.595 ' CE2' HD11 ' A' ' 29' ' ' LEU . 0.3 OUTLIER -142.37 107.59 4.98 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.537 1.148 . . . . 63.210000000000001 111.028 179.98 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . 0.431 ' HG2' HG22 ' A' ' 17' ' ' THR . 17.2 mtp180 -88.41 120.92 30.24 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.502 1.126 . . . . 74.25 110.318 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.522 HG12 HG23 ' A' ' 33' ' ' ILE . 3.8 mp -101.3 94.34 3.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.556 1.16 . . . . 73.519999999999996 109.286 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . 0.936 ' OG ' HG23 ' A' ' 15' ' ' ILE . 19.1 m -98.39 122.09 41.14 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.506 1.129 . . . . 75.540000000000006 109.963 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . 0.551 ' CG ' ' N ' ' A' ' 12' ' ' ASN . 59.9 t80 -135.84 174.42 10.64 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.552 1.157 . . . . 73.230000000000004 111.002 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . 0.551 ' N ' ' CG ' ' A' ' 11' ' ' TYR . 53.7 t-20 -38.46 -29.81 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.523 1.139 . . . . 60.420000000000002 109.297 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . 0.482 ' N ' ' O ' ' A' ' 11' ' ' TYR . 25.4 m -69.81 -89.76 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.47 1.106 . . . . 64.439999999999998 109.983 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 25.4 mt-10 -150.03 -170.06 3.54 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.562 1.164 . . . . 61.539999999999999 110.293 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.936 HG23 ' OG ' ' A' ' 10' ' ' SER . 1.4 mp -106.79 122.68 61.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.474 1.109 . . . . 44.149999999999999 109.319 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . 0.411 ' O ' ' HA ' ' A' ' 8' ' ' ARG . 24.6 m-85 -119.41 -176.91 3.24 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.589 1.18 . . . . 75.120000000000005 111.03 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.431 HG22 ' HG2' ' A' ' 8' ' ' ARG . 3.1 p -130.29 154.98 47.06 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.509 1.13 . . . . 73.120000000000005 110.388 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.818 HD11 ' HB1' ' A' ' 32' ' ' ALA . 2.9 tm? -154.29 105.79 2.72 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.527 1.142 . . . . 73.540000000000006 109.265 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.496 ' C ' ' CD1' ' A' ' 19' ' ' LEU . 0.2 OUTLIER -71.89 105.96 4.03 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.473 1.108 . . . . 73.519999999999996 109.352 179.951 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.666 HG23 ' CE3' ' A' ' 24' ' ' TRP . 13.3 p -107.5 124.04 63.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.531 1.144 . . . . 74.150000000000006 109.271 -179.95 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.558 ' HB2' ' CD1' ' A' ' 24' ' ' TRP . 21.4 mt-10 -61.86 168.92 2.81 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.47 1.106 . . . . 72.239999999999995 110.299 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . 0.438 ' CE ' HG13 ' A' ' 5' ' ' ILE . 70.4 mttt -87.79 11.94 14.19 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.468 1.105 . . . . 73.340000000000003 109.289 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.494 HG12 ' HB3' ' A' ' 21' ' ' GLU . 0.2 OUTLIER -111.85 -32.25 2.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.473 1.108 . . . . 53.340000000000003 109.345 179.996 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' TRP . . . . . 0.666 ' CE3' HG23 ' A' ' 20' ' ' VAL . 16.2 m0 -58.87 89.17 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.522 1.139 . . . . 75.340000000000003 108.016 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . 0.513 ' HA ' ' CE2' ' A' ' 66' ' ' TRP . 10.7 p-10 -52.86 177.47 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.485 1.115 . . . . 64.420000000000002 109.347 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . 0.469 ' CG ' ' N ' ' A' ' 27' ' ' ASP . 10.5 p90 -46.83 -38.13 9.78 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.502 1.126 . . . . 64.540000000000006 110.954 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . 0.469 ' N ' ' CG ' ' A' ' 26' ' ' PHE . 2.6 t0 -61.21 -71.69 0.14 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.509 1.131 . . . . 64.439999999999998 109.274 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -47.39 -29.61 2.74 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.477 1.111 . . . . 72.340000000000003 109.293 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.595 HD11 ' CE2' ' A' ' 7' ' ' PHE . 1.7 tp -61.11 -55.26 34.51 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.459 1.1 . . . . 42.039999999999999 109.309 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.473 HD13 ' HA ' ' A' ' 30' ' ' ILE . 15.3 mm -57.2 -43.85 82.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.516 1.135 . . . . 73.0 109.277 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 26.0 mtp -66.54 -24.39 66.36 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.48 1.112 . . . . 74.140000000000001 111.049 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . 0.818 ' HB1' HD11 ' A' ' 18' ' ' LEU . . . -65.43 -54.25 31.32 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.526 1.141 . . . . 71.109999999999999 109.289 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.522 HG23 HG12 ' A' ' 9' ' ' ILE . 4.3 mp -67.0 -46.65 84.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.128 . . . . 75.430000000000007 109.301 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 1.3 m-80 -53.15 -21.34 4.86 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.486 1.116 . . . . 71.120000000000005 109.31 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 2.3 t -73.21 -37.27 66.49 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.442 1.089 . . . . 74.310000000000002 110.033 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 0.584 ' CE ' HD23 ' A' ' 18' ' ' LEU . 2.0 mptp? -74.15 -45.39 49.05 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.501 1.126 . . . . 75.439999999999998 109.308 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.79 HD13 HD11 ' A' ' 45' ' ' ILE . 0.3 OUTLIER -82.06 -3.46 7.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.469 1.106 . . . . 74.420000000000002 109.308 179.967 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . 0.418 ' C ' ' N ' ' A' ' 40' ' ' THR . 41.7 t -46.53 -25.12 0.63 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.506 1.129 . . . . 72.040000000000006 110.009 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . 0.401 ' N ' ' C ' ' A' ' 37' ' ' ILE . 31.5 t30 -40.3 -31.94 0.16 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.563 1.165 . . . . 62.030000000000001 109.286 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . 0.418 ' N ' ' C ' ' A' ' 38' ' ' SER . 0.0 OUTLIER -113.77 131.23 56.29 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.114 . . . . 73.540000000000006 110.423 -179.984 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 1.2 m-70 -120.77 40.03 3.63 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.499 1.124 . . . . 63.009999999999998 109.628 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 6.9 pt -106.58 -35.91 3.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.482 1.114 . . . . 71.310000000000002 109.258 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 30.9 t 179.63 92.96 0.18 Allowed Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.51 1.131 . . . . 73.519999999999996 110.021 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.93 -162.26 0.14 Allowed 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.489 1.783 . . . . 74.140000000000001 111.03 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . 1.014 HG21 HD11 ' A' ' 85' ' ' LEU . 1.5 pp -130.83 98.43 3.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.488 1.118 . . . . 71.049999999999997 109.27 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . 0.44 ' O ' HD12 ' A' ' 30' ' ' ILE . 16.3 p -73.47 -4.98 37.11 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.492 1.12 . . . . 74.209999999999994 110.379 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 7.9 mmmm -121.4 129.82 53.24 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.461 1.1 . . . . 74.109999999999999 109.344 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.724 ' O ' HD12 ' A' ' 48' ' ' ILE . 1.9 pp -128.48 139.01 53.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.534 1.146 . . . . 63.409999999999997 109.297 -179.953 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 17.9 ttmt -93.22 112.59 24.57 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.522 1.139 . . . . 65.430000000000007 109.31 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' TYR . . . . . 0.758 ' HA ' HD13 ' A' ' 83' ' ' ILE . 8.0 p90 -103.08 147.23 27.24 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.536 1.148 . . . . 74.219999999999999 111.016 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 51.5 tt0 -76.67 145.83 38.51 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.513 1.133 . . . . 73.109999999999999 110.327 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 14.2 t0 -113.53 -171.57 1.91 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.49 1.119 . . . . 74.219999999999999 109.304 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . 0.451 ' HB3' ' CG ' ' A' ' 72' ' ' MET . 2.4 pp20? -74.02 -18.32 60.86 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.509 1.131 . . . . 64.319999999999993 110.264 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -84.34 6.54 22.66 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.466 1.104 . . . . 64.540000000000006 109.302 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 63.04 12.04 41.45 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.492 1.12 . . . . 53.439999999999998 110.977 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -100.4 153.71 19.11 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.557 0.798 . . . . 71.340000000000003 109.273 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 39.5 m-85 -90.45 120.9 31.95 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 64.340000000000003 111.001 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.688 HG23 ' CE1' ' A' ' 50' ' ' TYR . 0.3 OUTLIER -122.06 148.67 25.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.548 1.155 . . . . 64.439999999999998 109.284 -179.999 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 13.1 p -72.95 149.07 8.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.464 1.103 . . . . 53.140000000000001 109.279 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.921 HD12 ' N ' ' A' ' 61' ' ' GLY . 0.3 OUTLIER -133.39 120.29 20.76 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.479 1.112 . . . . 64.329999999999998 109.326 179.997 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . 0.921 ' N ' HD12 ' A' ' 60' ' ' LEU . . . -163.31 27.75 0.23 Allowed Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.541 1.151 . . . . 31.23 110.964 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 72.1 m -150.67 167.75 26.41 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.522 0.778 . . . . 62.439999999999998 110.001 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . 0.444 ' O ' ' N ' ' A' ' 67' ' ' ASN . 1.2 p-10 -73.38 -29.83 62.87 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.478 1.111 . . . . 71.200000000000003 109.267 -179.937 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . 0.629 ' O ' HG23 ' A' ' 68' ' ' VAL . 2.6 tt0 -67.31 -38.09 84.41 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.506 1.129 . . . . 64.299999999999997 110.324 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 10.2 m-20 -85.7 -11.89 52.56 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.506 1.129 . . . . 75.120000000000005 109.344 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' TRP . . . . . 0.592 ' CZ3' ' OD1' ' A' ' 67' ' ' ASN . 5.8 t90 -97.62 -22.62 16.38 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.523 1.139 . . . . 75.129999999999995 108.02 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . 0.592 ' OD1' ' CZ3' ' A' ' 66' ' ' TRP . 42.1 m-20 -94.87 -46.87 6.68 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.525 1.14 . . . . 71.540000000000006 109.33 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.629 HG23 ' O ' ' A' ' 64' ' ' GLU . 86.1 t -62.96 -36.06 74.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.545 1.153 . . . . 71.049999999999997 109.271 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . 0.473 ' HB2' ' CE2' ' A' ' 50' ' ' TYR . . . -70.1 -49.96 45.61 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.556 1.16 . . . . 55.439999999999998 109.284 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . 0.438 ' HZ2' ' HB3' ' A' ' 70' ' ' LYS . 14.0 mtpp -56.33 -44.17 79.73 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.451 1.094 . . . . 74.329999999999998 109.308 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 16.7 mt-10 -66.67 -24.26 66.25 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.527 1.142 . . . . 65.010000000000005 110.334 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' MET . . . . . 0.451 ' CG ' ' HB3' ' A' ' 53' ' ' GLU . 4.1 tpt -75.11 -16.12 60.56 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.556 1.16 . . . . 55.140000000000001 111.001 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.549 HD21 HD23 ' A' ' 81' ' ' LEU . 3.2 mt -65.5 -52.41 52.97 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.458 1.098 . . . . 74.230000000000004 109.286 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -57.62 -20.81 35.51 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.5 1.125 . . . . 61.009999999999998 109.27 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 13.0 mm-40 -96.28 -26.23 15.48 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.449 1.093 . . . . 74.349999999999994 110.328 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' ASN . . . . . 0.433 ' N ' ' O ' ' A' ' 72' ' ' MET . 93.6 m-20 -82.12 -11.53 58.7 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.444 1.09 . . . . 74.120000000000005 109.263 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 14.7 m-80 60.39 35.53 20.52 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.473 1.108 . . . . 51.509999999999998 109.274 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . 0.436 ' OE1' HD22 ' A' ' 73' ' ' LEU . 9.7 pt-20 -118.08 161.2 20.22 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.491 1.119 . . . . 61.530000000000001 110.282 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -119.98 19.0 12.42 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.568 1.167 . . . . 75.230000000000004 109.298 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 7.7 p90 -154.49 165.99 34.7 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.477 1.111 . . . . 73.450000000000003 110.985 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.858 HD13 ' N ' ' A' ' 82' ' ' ASN . 1.8 tm? -118.47 160.91 20.88 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.504 1.127 . . . . 75.540000000000006 109.284 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' ASN . . . . . 0.858 ' N ' HD13 ' A' ' 81' ' ' LEU . 1.0 OUTLIER -129.25 136.06 49.61 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.484 1.115 . . . . 64.040000000000006 109.351 179.968 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . 0.758 HD13 ' HA ' ' A' ' 50' ' ' TYR . 46.2 mm -126.88 157.97 37.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.503 1.127 . . . . 71.239999999999995 109.265 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 13.1 ttm180 -138.71 128.99 25.72 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.498 1.124 . . . . 75.129999999999995 110.313 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 1.014 HD11 HG21 ' A' ' 45' ' ' ILE . 0.1 OUTLIER -113.94 139.99 48.76 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.48 1.112 . . . . 63.149999999999999 109.343 179.967 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' TYR . . . . . 0.594 ' H ' HD13 ' A' ' 85' ' ' LEU . 9.1 p90 . . . . . 0 C--N 1.324 -0.5 0 O-C-N 124.5 1.125 . . . . 74.510000000000005 111.033 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 N--CA 1.453 -0.884 0 N-CA-C 110.998 -0.424 . . . . 72.239999999999995 110.998 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 3.6 pp -130.5 141.46 50.5 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.474 1.109 . . . . 64.439999999999998 109.304 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 104.47 17.8 14.5 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.478 1.111 . . . . 60.329999999999998 111.001 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . 0.531 ' HB2' HD11 ' A' ' 19' ' ' LEU . 0.4 OUTLIER -138.97 -178.48 5.35 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.486 0.756 . . . . 61.399999999999999 110.029 179.973 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.526 ' CG2' ' CE1' ' A' ' 7' ' ' PHE . 45.5 mt -132.69 152.9 37.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.435 1.084 . . . . 44.119999999999997 109.282 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.986 HD13 ' N ' ' A' ' 7' ' ' PHE . 2.6 tm? -122.87 148.75 45.06 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.484 1.115 . . . . 71.420000000000002 109.269 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . 1.077 ' CE2' HG11 ' A' ' 20' ' ' VAL . 22.8 m-85 -131.72 131.18 42.83 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.514 1.134 . . . . 73.040000000000006 110.998 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . 0.44 ' HB3' HG23 ' A' ' 15' ' ' ILE . 54.9 mtp180 -95.04 71.89 3.37 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.502 1.126 . . . . 70.420000000000002 110.273 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.658 ' H ' HD12 ' A' ' 9' ' ' ILE . 5.1 mp -60.02 124.04 13.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.485 1.116 . . . . 74.510000000000005 109.295 179.938 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . 0.506 ' O ' ' CB ' ' A' ' 85' ' ' LEU . 1.4 p -99.64 134.47 42.48 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.479 1.112 . . . . 74.129999999999995 110.003 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 6.5 t80 -160.27 130.97 5.55 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.575 1.172 . . . . 75.430000000000007 111.012 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . 0.583 ' O ' ' CB ' ' A' ' 13' ' ' SER . 2.5 m-20 64.44 11.89 6.9 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.521 1.138 . . . . 65.129999999999995 109.26 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . 0.583 ' CB ' ' O ' ' A' ' 12' ' ' ASN . 1.2 t 91.62 12.48 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.562 1.164 . . . . 55.32 109.966 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . 0.819 ' C ' HD12 ' A' ' 15' ' ' ILE . 37.8 mm-40 -102.71 -179.26 3.91 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.492 1.12 . . . . 73.329999999999998 110.313 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.819 HD12 ' C ' ' A' ' 14' ' ' GLU . 3.0 mp -141.16 117.24 6.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.523 1.139 . . . . 71.530000000000001 109.293 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . 0.48 ' CZ ' ' HB2' ' A' ' 14' ' ' GLU . 3.0 m-85 -117.24 122.68 44.66 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.455 1.097 . . . . 74.409999999999997 111.002 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.631 ' HB ' HD21 ' A' ' 6' ' ' LEU . 2.2 p -81.03 129.23 34.44 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.531 1.144 . . . . 72.549999999999997 110.375 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.605 HD23 ' CD ' ' A' ' 36' ' ' LYS . 1.5 tm? -124.82 101.79 7.25 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.483 1.114 . . . . 74.140000000000001 109.262 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.531 HD11 ' HB2' ' A' ' 4' ' ' SER . 0.3 OUTLIER -71.54 105.8 3.76 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.513 1.133 . . . . 62.520000000000003 109.286 -179.999 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 1.077 HG11 ' CE2' ' A' ' 7' ' ' PHE . 7.2 p -106.43 147.64 11.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.485 1.116 . . . . 61.329999999999998 109.308 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.565 ' HB2' ' CD1' ' A' ' 24' ' ' TRP . 2.2 mm-40 -86.98 164.42 16.52 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.502 1.126 . . . . 74.549999999999997 110.33 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 3.3 mtpt -90.99 18.3 6.86 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.522 1.139 . . . . 75.530000000000001 109.312 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.543 ' O ' HG22 ' A' ' 23' ' ' VAL . 0.7 OUTLIER -126.07 3.36 4.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.458 1.099 . . . . 74.400000000000006 109.291 -179.97 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' TRP . . . . . 0.565 ' CD1' ' HB2' ' A' ' 21' ' ' GLU . 31.7 m0 -90.06 131.69 35.79 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.496 1.122 . . . . 74.319999999999993 108.025 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 20.3 p-10 -81.35 -175.47 5.49 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.517 1.136 . . . . 54.039999999999999 109.27 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . 0.5 ' CG ' ' N ' ' A' ' 27' ' ' ASP . 8.6 p90 -61.79 -39.82 93.07 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.506 1.129 . . . . 74.200000000000003 110.988 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . 0.5 ' N ' ' CG ' ' A' ' 26' ' ' PHE . 4.7 t70 -62.35 -46.01 90.63 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 72.340000000000003 109.253 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 16.4 m-20 -66.66 -35.96 81.42 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.525 1.141 . . . . 64.349999999999994 109.323 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.658 HD21 HD21 ' A' ' 60' ' ' LEU . 10.6 tp -59.05 -56.51 21.35 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.567 1.167 . . . . 75.430000000000007 109.287 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.467 HD13 ' HA ' ' A' ' 30' ' ' ILE . 25.9 mm -56.06 -49.23 76.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.539 1.149 . . . . 71.400000000000006 109.311 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 8.2 mmt -60.73 -24.74 65.93 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.473 1.108 . . . . 65.040000000000006 110.991 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . 0.602 ' HB1' HD11 ' A' ' 18' ' ' LEU . . . -66.97 -49.24 66.04 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.526 1.141 . . . . 51.210000000000001 109.268 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.639 ' O ' HG23 ' A' ' 37' ' ' ILE . 2.9 mp -69.78 -40.6 79.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.485 1.116 . . . . 75.409999999999997 109.312 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 1.3 m-80 -62.78 -15.91 55.74 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.131 . . . . 74.129999999999995 109.319 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 1.6 t -86.4 -41.8 14.17 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.517 1.136 . . . . 74.530000000000001 110.023 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 0.605 ' CD ' HD23 ' A' ' 18' ' ' LEU . 3.1 mptt -69.36 -38.36 78.04 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.504 1.127 . . . . 53.009999999999998 109.321 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.639 HG23 ' O ' ' A' ' 33' ' ' ILE . 0.8 OUTLIER -88.99 -5.49 10.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.493 1.12 . . . . 64.400000000000006 109.294 179.994 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . 0.439 ' O ' ' CD2' ' A' ' 41' ' ' HIS . 41.5 t -39.44 -29.99 0.06 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.53 1.144 . . . . 72.340000000000003 110.011 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . 0.432 ' N ' ' O ' ' A' ' 37' ' ' ILE . 3.5 t30 -41.91 -50.66 4.48 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.436 1.085 . . . . 65.140000000000001 109.305 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 59.7 p -70.9 117.89 12.97 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.475 1.109 . . . . 45.409999999999997 110.435 179.943 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' HIS . . . . . 0.439 ' CD2' ' O ' ' A' ' 38' ' ' SER . 28.6 m170 -109.35 37.41 2.61 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.52 1.137 . . . . 75.209999999999994 109.649 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.7 HD12 ' HB3' ' A' ' 43' ' ' SER . 1.3 pp -111.9 -38.31 3.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.516 1.135 . . . . 71.340000000000003 109.285 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . 0.7 ' HB3' HD12 ' A' ' 42' ' ' ILE . 5.2 t 171.78 117.03 0.06 OUTLIER Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.513 1.133 . . . . 71.239999999999995 109.977 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -162.18 0.14 Allowed 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.446 1.761 . . . . 75.239999999999995 110.977 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . 0.689 HD12 ' O ' ' A' ' 45' ' ' ILE . 1.4 pp -135.11 125.5 44.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.501 1.126 . . . . 74.25 109.301 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 37.3 p -104.73 41.94 1.27 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.531 1.144 . . . . 54.049999999999997 110.417 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 9.1 ptmm? -174.52 110.16 0.14 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.493 1.12 . . . . 71.239999999999995 109.319 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.506 HD12 HD12 ' A' ' 83' ' ' ILE . 5.9 pt -106.95 130.74 58.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.518 1.136 . . . . 63.210000000000001 109.336 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 31.6 mttt -85.04 113.16 21.25 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.492 1.12 . . . . 73.420000000000002 109.315 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' TYR . . . . . 0.671 ' CE1' HG23 ' A' ' 58' ' ' VAL . 8.7 p90 -107.29 147.22 30.53 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.539 1.149 . . . . 74.129999999999995 110.981 -179.949 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 38.1 tt0 -72.01 152.24 42.59 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.534 1.146 . . . . 63.520000000000003 110.322 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 14.6 t0 -107.27 177.32 4.88 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.485 1.116 . . . . 60.43 109.292 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 1.2 pm0 -69.3 -20.01 63.89 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.521 1.138 . . . . 71.140000000000001 110.299 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -88.4 11.75 16.05 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.501 1.126 . . . . 73.030000000000001 109.315 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 68.25 10.91 60.64 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.461 1.1 . . . . 63.009999999999998 110.99 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 14.0 m-20 -88.99 176.88 6.82 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.491 0.76 . . . . 74.129999999999995 109.295 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . 0.476 ' CD1' ' N ' ' A' ' 57' ' ' PHE . 1.6 p90 -116.17 124.17 49.63 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.121 . . . . 74.129999999999995 111.039 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.671 HG23 ' CE1' ' A' ' 50' ' ' TYR . 0.1 OUTLIER -126.45 158.6 36.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.533 1.145 . . . . 71.010000000000005 109.261 179.984 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 14.5 p -84.46 145.37 8.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.47 1.106 . . . . 51.0 109.253 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.688 HD12 ' N ' ' A' ' 61' ' ' GLY . 0.7 OUTLIER -135.62 119.02 16.79 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.467 1.104 . . . . 43.43 109.301 179.994 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . 0.688 ' N ' HD12 ' A' ' 60' ' ' LEU . . . -158.4 25.02 0.38 Allowed Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.469 1.106 . . . . 73.219999999999999 110.994 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 1.8 m -153.81 170.05 21.9 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.494 0.761 . . . . 51.350000000000001 110.008 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -69.44 -31.28 69.5 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.502 1.126 . . . . 70.150000000000006 109.303 -179.95 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . 0.462 ' HA ' ' ND2' ' A' ' 67' ' ' ASN . 10.5 tt0 -72.92 -13.24 61.22 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.511 1.132 . . . . 73.209999999999994 110.34 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . 0.489 ' C ' HD13 ' A' ' 60' ' ' LEU . 1.1 m-20 -110.32 -8.19 14.74 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 71.519999999999996 109.326 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' TRP . . . . . 0.567 ' CH2' ' HD3' ' A' ' 70' ' ' LYS . 7.8 t-105 -102.91 -15.27 16.22 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.496 1.122 . . . . 64.150000000000006 107.997 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . 0.891 HD21 HG23 ' A' ' 68' ' ' VAL . 0.1 OUTLIER -101.51 -37.41 8.42 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.456 1.098 . . . . 73.519999999999996 109.323 -179.996 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.891 HG23 HD21 ' A' ' 67' ' ' ASN . 20.9 t -78.55 -7.85 10.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.458 1.099 . . . . 42.509999999999998 109.31 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . 0.543 ' CB ' ' CE2' ' A' ' 50' ' ' TYR . . . -100.1 -30.93 11.68 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.469 1.105 . . . . 52.130000000000003 109.299 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . 0.567 ' HD3' ' CH2' ' A' ' 66' ' ' TRP . 17.5 mtmm -66.18 -41.72 89.87 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.486 1.116 . . . . 62.340000000000003 109.264 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 57.9 mt-10 -49.76 -35.83 23.8 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.511 1.132 . . . . 54.210000000000001 110.272 -180.0 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' MET . . . . . 0.402 ' O ' ' ND2' ' A' ' 76' ' ' ASN . 2.1 ttt -61.69 -48.01 82.72 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.482 1.113 . . . . 72.340000000000003 111.037 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.454 HD21 HD12 ' A' ' 81' ' ' LEU . 52.8 mt -54.59 -44.56 73.15 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.508 1.13 . . . . 75.219999999999999 109.33 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -61.45 -34.89 76.19 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.469 1.106 . . . . 74.409999999999997 109.272 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 60.9 mt-10 -78.45 -25.57 45.94 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.496 1.123 . . . . 75.230000000000004 110.29 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' ASN . . . . . 0.551 ' N ' HD22 ' A' ' 76' ' ' ASN . 1.4 m-80 -89.94 -15.17 32.58 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.436 1.085 . . . . 71.340000000000003 109.277 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . 0.414 ' N ' ' O ' ' A' ' 73' ' ' LEU . 37.5 m-80 57.13 40.13 28.5 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.511 1.132 . . . . 75.400000000000006 109.324 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . 0.442 ' HB2' ' CD1' ' A' ' 80' ' ' PHE . 18.5 pt-20 -118.72 161.08 20.71 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.449 1.093 . . . . 63.43 110.365 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 2.2 ttpm? -111.85 16.51 20.38 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.517 1.135 . . . . 73.420000000000002 109.288 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' PHE . . . . . 0.442 ' CD1' ' HB2' ' A' ' 78' ' ' GLU . 12.6 p90 -142.21 150.67 41.3 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.508 1.13 . . . . 75.340000000000003 110.985 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.74 HD23 ' N ' ' A' ' 82' ' ' ASN . 7.4 tt -130.62 159.85 35.97 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.518 1.136 . . . . 61.140000000000001 109.301 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' ASN . . . . . 0.74 ' N ' HD23 ' A' ' 81' ' ' LEU . 1.4 t30 -99.49 116.68 32.19 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.486 1.117 . . . . 71.349999999999994 109.29 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . 0.673 HD11 HD22 ' A' ' 81' ' ' LEU . 46.9 mm -117.18 138.36 48.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.499 1.125 . . . . 75.049999999999997 109.298 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . 0.421 ' CG ' ' N ' ' A' ' 85' ' ' LEU . 56.9 ttt-85 -111.63 154.96 24.12 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.481 1.113 . . . . 73.430000000000007 110.298 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.612 HD21 HG12 ' A' ' 45' ' ' ILE . 5.3 tp -153.74 115.74 4.29 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.478 1.111 . . . . 71.140000000000001 109.289 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' TYR . . . . . 0.493 ' CG ' ' O ' ' A' ' 86' ' ' TYR . 10.9 p90 . . . . . 0 C--N 1.325 -0.5 0 O-C-N 124.525 1.141 . . . . 74.25 111.022 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 N--CA 1.452 -0.927 0 N-CA-C 111.009 -0.419 . . . . 62.039999999999999 111.009 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 5.4 mp -78.88 -23.13 45.07 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.48 1.113 . . . . 54.0 109.304 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -106.14 79.6 0.27 Allowed Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.539 1.149 . . . . 72.030000000000001 111.031 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 1.3 p -128.88 171.37 12.36 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.516 0.774 . . . . 43.530000000000001 110.012 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.721 ' O ' HD22 ' A' ' 19' ' ' LEU . 28.2 mt -143.05 164.06 16.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.458 1.099 . . . . 74.209999999999994 109.307 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.842 HD13 ' N ' ' A' ' 7' ' ' PHE . 3.3 tm? -124.84 147.92 48.5 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.482 1.114 . . . . 74.549999999999997 109.328 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . 0.842 ' N ' HD13 ' A' ' 6' ' ' LEU . 11.3 m-85 -147.06 116.5 7.03 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.468 1.105 . . . . 75.219999999999999 111.002 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . 0.594 ' HG2' HG22 ' A' ' 17' ' ' THR . 44.8 mtt180 -89.35 99.75 12.68 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.5 1.125 . . . . 70.409999999999997 110.271 -179.952 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.974 HG23 HD23 ' A' ' 85' ' ' LEU . 4.6 mp -81.65 112.14 19.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.479 1.112 . . . . 52.439999999999998 109.315 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . 0.778 ' HB3' HG23 ' A' ' 15' ' ' ILE . 11.7 p -119.11 125.87 50.29 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.503 1.127 . . . . 64.109999999999999 110.015 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . 0.563 ' CG ' ' N ' ' A' ' 12' ' ' ASN . 61.4 t80 -134.36 174.74 10.19 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.493 1.121 . . . . 75.129999999999995 111.018 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . 0.563 ' N ' ' CG ' ' A' ' 11' ' ' TYR . 51.1 t30 -38.1 -30.19 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.469 1.106 . . . . 74.439999999999998 109.308 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . 0.483 ' N ' ' O ' ' A' ' 11' ' ' TYR . 3.8 m -69.56 -90.82 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.493 1.121 . . . . 72.430000000000007 109.981 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 37.3 mt-10 -146.54 -169.75 3.35 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.521 1.138 . . . . 73.319999999999993 110.316 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.842 HD12 ' N ' ' A' ' 15' ' ' ILE . 1.4 mp -110.52 122.92 65.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.493 1.121 . . . . 64.25 109.277 -179.947 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . 0.412 ' O ' ' HA ' ' A' ' 8' ' ' ARG . 29.2 m-85 -121.12 178.77 4.62 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.507 1.129 . . . . 75.099999999999994 111.005 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.594 HG22 ' HG2' ' A' ' 8' ' ' ARG . 4.7 p -129.88 135.02 47.88 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.472 1.107 . . . . 55.119999999999997 110.396 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.607 HD22 ' N ' ' A' ' 19' ' ' LEU . 1.5 tm? -131.82 122.26 25.46 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.472 1.108 . . . . 64.400000000000006 109.329 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.721 HD22 ' O ' ' A' ' 5' ' ' ILE . 0.8 OUTLIER -93.69 113.6 25.72 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.473 1.108 . . . . 75.230000000000004 109.272 -179.961 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.617 HG23 ' CE3' ' A' ' 24' ' ' TRP . 8.8 p -109.67 148.17 13.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.498 1.124 . . . . 72.340000000000003 109.267 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.571 ' HB2' ' CD1' ' A' ' 24' ' ' TRP . 3.7 mm-40 -79.59 171.58 14.95 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.507 1.13 . . . . 63.149999999999999 110.32 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 85.6 mttt -91.83 16.46 10.83 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.575 1.172 . . . . 75.140000000000001 109.3 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.499 ' CG2' ' O ' ' A' ' 23' ' ' VAL . 0.2 OUTLIER -123.29 0.64 6.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.477 1.111 . . . . 74.420000000000002 109.316 -179.982 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' TRP . . . . . 0.617 ' CE3' HG23 ' A' ' 20' ' ' VAL . 18.4 m0 -93.07 92.73 7.94 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.504 1.127 . . . . 74.140000000000001 107.977 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . 0.413 ' OD1' ' N ' ' A' ' 25' ' ' ASN . 7.3 p-10 -52.61 177.3 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.503 1.127 . . . . 74.430000000000007 109.278 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 13.2 p90 -52.98 -32.32 45.59 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.525 1.141 . . . . 63.210000000000001 110.985 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 4.8 t0 -65.19 -66.58 0.53 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.5 1.125 . . . . 75.340000000000003 109.269 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . 0.558 ' O ' ' HB2' ' A' ' 32' ' ' ALA . 17.3 t0 -55.19 -27.05 43.07 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.438 1.086 . . . . 75.219999999999999 109.274 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.583 ' O ' HD12 ' A' ' 33' ' ' ILE . 0.9 OUTLIER -63.02 -46.01 89.63 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.507 1.129 . . . . 63.43 109.305 179.974 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.436 ' HA ' HD13 ' A' ' 30' ' ' ILE . 14.2 mm -69.44 -50.98 46.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.479 1.112 . . . . 70.510000000000005 109.29 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 39.2 mmm -63.17 -16.32 59.71 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.43 1.081 . . . . 61.210000000000001 111.003 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . 0.558 ' HB2' ' O ' ' A' ' 28' ' ' ASP . . . -76.04 -50.62 14.27 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.518 1.136 . . . . 60.329999999999998 109.234 -179.938 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.729 ' CG2' HD11 ' A' ' 45' ' ' ILE . 3.5 mp -70.38 -39.97 77.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.545 1.153 . . . . 72.430000000000007 109.268 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -50.24 -24.05 2.63 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.554 1.158 . . . . 73.319999999999993 109.301 -179.953 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . 0.424 ' O ' ' CB ' ' A' ' 38' ' ' SER . 4.4 m -83.5 -43.61 15.59 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.121 . . . . 74.400000000000006 109.991 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 0.577 ' HE2' HD23 ' A' ' 18' ' ' LEU . 3.6 mptt -61.46 -35.56 77.96 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.555 1.159 . . . . 74.129999999999995 109.315 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.425 ' CD1' HG12 ' A' ' 45' ' ' ILE . 2.6 pt -82.04 -13.11 12.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.556 1.16 . . . . 60.149999999999999 109.349 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . 0.424 ' CB ' ' O ' ' A' ' 35' ' ' SER . 6.4 t -46.33 -25.25 0.6 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.482 1.114 . . . . 73.319999999999993 109.972 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 6.7 t30 -40.36 -33.94 0.29 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.512 1.132 . . . . 64.400000000000006 109.276 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . 0.533 ' O ' HG23 ' A' ' 42' ' ' ILE . 14.8 p -88.6 -54.91 3.94 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.507 1.129 . . . . 72.299999999999997 110.402 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 11.6 t-160 60.81 37.24 18.81 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.473 1.108 . . . . 74.439999999999998 109.61 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.533 HG23 ' O ' ' A' ' 40' ' ' THR . 11.7 pt -130.29 -46.15 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.508 1.13 . . . . 70.109999999999999 109.276 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 12.6 t -147.75 95.26 4.26 Favored Pre-proline 0 C--N 1.324 -0.514 0 O-C-N 124.494 1.121 . . . . 71.299999999999997 109.99 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 -162.19 0.14 Allowed 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.479 1.779 . . . . 73.200000000000003 110.987 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . 0.953 HG21 ' HG ' ' A' ' 85' ' ' LEU . 11.5 pt -116.83 151.47 18.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.534 1.146 . . . . 64.310000000000002 109.303 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 42.9 p -119.15 5.61 11.27 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.46 1.1 . . . . 74.25 110.366 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . 0.641 ' HB2' HG23 ' A' ' 59' ' ' VAL . 10.3 ptmt -174.46 132.76 0.37 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.447 1.092 . . . . 71.349999999999994 109.287 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 1.017 HG22 HD21 ' A' ' 85' ' ' LEU . 2.4 pt -115.36 123.99 71.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.472 1.107 . . . . 73.409999999999997 109.344 179.938 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . 0.421 ' HD3' ' N ' ' A' ' 59' ' ' VAL . 0.0 OUTLIER -87.13 117.11 25.65 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.526 1.141 . . . . 70.540000000000006 109.273 -179.959 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' TYR . . . . . 0.854 ' HB2' HD11 ' A' ' 81' ' ' LEU . 3.6 p90 -109.17 139.27 44.3 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.42 1.075 . . . . 74.310000000000002 111.029 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . 0.55 ' O ' HD21 ' A' ' 81' ' ' LEU . 49.6 tt0 -72.78 141.45 48.08 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.522 1.139 . . . . 72.319999999999993 110.288 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -113.64 -170.97 1.8 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.537 1.148 . . . . 55.439999999999998 109.241 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 2.5 pp20? -65.63 -32.34 73.85 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.497 1.123 . . . . 72.129999999999995 110.283 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 3.8 t70 -63.62 -14.29 50.28 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.476 1.11 . . . . 74.010000000000005 109.311 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 78.58 37.3 27.38 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.473 1.108 . . . . 73.310000000000002 110.995 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 5.4 t70 -136.7 149.0 47.65 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.472 0.748 . . . . 75.349999999999994 109.316 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 3.5 m-85 -85.23 113.92 21.95 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.548 1.155 . . . . 73.209999999999994 111.023 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.638 HG23 ' CE1' ' A' ' 50' ' ' TYR . 0.0 OUTLIER -109.6 129.87 63.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.454 1.096 . . . . 70.150000000000006 109.313 -179.978 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.641 HG23 ' HB2' ' A' ' 47' ' ' LYS . 1.4 p -55.7 132.99 19.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.51 1.131 . . . . 73.200000000000003 109.265 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.921 HD12 ' N ' ' A' ' 61' ' ' GLY . 0.4 OUTLIER -120.51 124.7 46.03 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.484 1.115 . . . . 64.150000000000006 109.298 -179.994 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . 0.921 ' N ' HD12 ' A' ' 60' ' ' LEU . . . -166.91 29.67 0.18 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.57 1.168 . . . . 70.099999999999994 111.031 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 1.6 p -146.44 161.84 39.55 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.495 0.761 . . . . 40.549999999999997 109.987 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 50.4 t0 -65.31 -20.11 66.26 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.484 1.115 . . . . 53.200000000000003 109.308 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . 0.666 ' O ' HG23 ' A' ' 68' ' ' VAL . 11.1 pt-20 -85.5 -40.91 15.83 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.489 1.118 . . . . 73.549999999999997 110.306 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . 0.607 ' C ' HD13 ' A' ' 60' ' ' LEU . 66.0 m-20 -79.87 1.73 26.0 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.503 1.127 . . . . 74.400000000000006 109.313 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' TRP . . . . . 0.561 ' CZ2' ' HE2' ' A' ' 70' ' ' LYS . 1.3 t90 -102.68 -40.9 6.41 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 108.005 -1.109 . . . . 75.200000000000003 108.005 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . 0.496 ' C ' ' OD1' ' A' ' 67' ' ' ASN . 0.7 OUTLIER -82.16 -40.81 21.26 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.486 1.116 . . . . 70.510000000000005 109.277 -179.945 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.666 HG23 ' O ' ' A' ' 64' ' ' GLU . 89.5 t -66.13 -14.53 17.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.515 1.134 . . . . 74.409999999999997 109.294 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -89.82 -26.8 20.35 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.491 1.12 . . . . 73.120000000000005 109.327 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . 0.597 ' CD ' ' CD1' ' A' ' 5' ' ' ILE . 9.2 mtmp? -83.53 -55.5 4.26 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.547 1.155 . . . . 72.540000000000006 109.272 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 88.1 mt-10 -48.1 -31.99 6.28 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.53 1.144 . . . . 74.299999999999997 110.315 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 16.1 tpp -63.86 -48.26 77.44 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.47 1.106 . . . . 73.310000000000002 110.964 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.727 HD21 HD23 ' A' ' 81' ' ' LEU . 8.3 mt -44.9 -50.33 10.5 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.501 1.126 . . . . 63.350000000000001 109.326 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -55.2 -40.41 70.73 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.466 1.104 . . . . 64.299999999999997 109.301 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 19.9 mm-40 -73.15 -22.96 60.41 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.53 1.144 . . . . 75.140000000000001 110.253 -179.947 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 87.1 m-20 -92.0 -10.51 39.0 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.445 1.091 . . . . 71.129999999999995 109.271 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 3.2 m-80 61.17 32.45 19.53 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.517 1.136 . . . . 54.109999999999999 109.3 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 9.4 pt-20 -117.63 146.43 43.67 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.531 1.145 . . . . 65.239999999999995 110.311 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 9.8 mmmm -105.51 29.1 6.8 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.522 1.139 . . . . 65.439999999999998 109.312 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 13.3 p90 -152.18 173.63 14.74 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.492 1.12 . . . . 73.400000000000006 111.028 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.854 HD11 ' HB2' ' A' ' 50' ' ' TYR . 3.0 tm? -152.73 140.57 20.07 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.541 1.151 . . . . 74.25 109.283 -179.952 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' ASN . . . . . 0.488 ' O ' HD13 ' A' ' 81' ' ' LEU . 0.9 OUTLIER -99.34 141.6 31.91 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.501 1.126 . . . . 70.420000000000002 109.313 179.964 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . 0.552 HD13 ' HA ' ' A' ' 50' ' ' TYR . 38.1 mm -128.25 160.28 38.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.487 1.117 . . . . 55.5 109.321 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . 0.603 ' O ' HD22 ' A' ' 85' ' ' LEU . 40.1 ttt-85 -146.4 153.13 40.13 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.463 1.102 . . . . 72.030000000000001 110.302 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 1.017 HD21 HG22 ' A' ' 48' ' ' ILE . 2.0 mm? -137.05 139.88 41.65 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.474 1.109 . . . . 71.150000000000006 109.315 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' TYR . . . . . 0.408 ' C ' ' O ' ' A' ' 85' ' ' LEU . 3.2 t80 . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.497 1.123 . . . . 74.109999999999999 110.96 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo . . . . . 0 N--CA 1.453 -0.88 0 N-CA-C 110.995 -0.425 . . . . 72.120000000000005 110.995 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 5.2 mp -111.86 -15.72 13.3 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.474 1.109 . . . . 72.340000000000003 109.305 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -93.19 68.51 1.65 Allowed Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.562 1.164 . . . . 65.239999999999995 111.038 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . 0.551 ' HB2' HD11 ' A' ' 19' ' ' LEU . 0.7 OUTLIER -166.64 -171.75 1.95 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.471 0.748 . . . . 73.430000000000007 110.008 179.991 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 53.5 mt -132.9 147.22 31.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.475 1.11 . . . . 64.25 109.297 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.878 HD13 ' N ' ' A' ' 7' ' ' PHE . 3.2 tm? -95.69 148.77 22.21 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.521 1.138 . . . . 72.319999999999993 109.319 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . 0.878 ' N ' HD13 ' A' ' 6' ' ' LEU . 1.2 m-85 -122.29 118.23 28.02 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.503 1.127 . . . . 71.140000000000001 111.007 179.95 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . 0.576 HH21 HD12 ' A' ' 15' ' ' ILE . 6.0 mtp180 -87.91 84.49 6.99 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.523 1.139 . . . . 73.409999999999997 110.313 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.531 ' CG2' HD12 ' A' ' 85' ' ' LEU . 2.0 mp -68.9 109.04 1.8 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.554 1.159 . . . . 75.040000000000006 109.278 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . 0.453 ' O ' ' N ' ' A' ' 85' ' ' LEU . 41.1 m -90.94 140.58 29.69 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.514 1.134 . . . . 51.229999999999997 110.002 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . 0.511 ' CD2' ' OE2' ' A' ' 14' ' ' GLU . 5.6 t80 -133.07 -171.52 2.7 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.511 1.132 . . . . 74.209999999999994 111.022 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 3.5 m-20 -72.06 87.38 1.06 Allowed 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.507 1.13 . . . . 74.540000000000006 109.263 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 71.9 7.44 5.85 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.505 1.128 . . . . 71.349999999999994 110.021 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . 0.802 ' O ' HD13 ' A' ' 15' ' ' ILE . 1.7 tt0 -120.85 159.2 25.97 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.482 1.114 . . . . 73.400000000000006 110.262 -179.958 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.802 HD13 ' O ' ' A' ' 14' ' ' GLU . 8.7 mm -138.34 142.0 36.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.528 1.143 . . . . 73.239999999999995 109.301 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . 0.556 ' CE1' ' HB3' ' A' ' 36' ' ' LYS . 10.7 t80 -138.27 154.45 49.05 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.517 1.135 . . . . 60.299999999999997 110.978 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.421 ' O ' ' CD1' ' A' ' 16' ' ' PHE . 2.4 p -115.91 150.95 36.27 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.506 1.129 . . . . 70.200000000000003 110.396 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.639 HD12 ' HB2' ' A' ' 36' ' ' LYS . 8.2 tt -157.29 133.84 9.89 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.516 1.135 . . . . 52.409999999999997 109.291 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.557 ' O ' ' CH2' ' A' ' 24' ' ' TRP . 0.2 OUTLIER -87.21 117.61 26.07 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.457 1.098 . . . . 74.010000000000005 109.326 179.969 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.551 ' HA ' ' CZ3' ' A' ' 24' ' ' TRP . 38.5 t -114.51 115.23 48.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.466 1.104 . . . . 72.409999999999997 109.315 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.567 ' HB2' ' CD1' ' A' ' 24' ' ' TRP . 21.5 mt-10 -67.81 166.35 15.62 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.45 1.094 . . . . 54.420000000000002 110.291 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 5.3 mtpt -89.84 15.59 9.57 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.453 1.096 . . . . 62.329999999999998 109.298 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.437 HG12 ' HB3' ' A' ' 21' ' ' GLU . 0.2 OUTLIER -116.36 -38.58 2.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.524 1.14 . . . . 70.319999999999993 109.336 179.964 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' TRP . . . . . 0.567 ' CD1' ' HB2' ' A' ' 21' ' ' GLU . 32.8 m0 -45.23 154.72 0.15 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.535 1.147 . . . . 75.5 107.96 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 16.6 p-10 -113.02 -174.2 2.41 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.465 1.103 . . . . 71.510000000000005 109.299 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . 0.451 ' CB ' ' C ' ' A' ' 62' ' ' SER . 7.6 p90 -60.42 -29.39 68.95 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.467 1.104 . . . . 71.409999999999997 111.016 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 20.9 t0 -72.71 -64.0 1.05 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.491 1.119 . . . . 75.230000000000004 109.295 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 81.1 m-20 -53.6 -33.44 54.94 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.463 1.102 . . . . 74.400000000000006 109.353 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 1.049 HD21 HD21 ' A' ' 60' ' ' LEU . 2.3 tp -60.04 -62.6 1.75 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.524 1.14 . . . . 53.219999999999999 109.315 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.461 HD11 HG12 ' A' ' 48' ' ' ILE . 30.9 mm -53.17 -47.02 56.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.522 1.139 . . . . 62.32 109.317 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 37.5 mtp -61.07 -32.9 72.54 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.479 1.112 . . . . 61.119999999999997 110.957 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . 0.469 ' HB3' ' O ' ' A' ' 29' ' ' LEU . . . -60.7 -53.14 61.08 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.486 1.117 . . . . 73.219999999999999 109.272 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.617 ' O ' HG23 ' A' ' 37' ' ' ILE . 3.2 mp -65.08 -39.52 85.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 64.209999999999994 109.333 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . 0.479 ' N ' HD22 ' A' ' 34' ' ' ASN . 1.1 m-80 -68.1 -15.54 63.64 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.48 1.113 . . . . 74.25 109.258 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 2.6 t -91.47 -37.83 12.93 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.423 1.077 . . . . 65.430000000000007 110.028 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 0.639 ' HB2' HD12 ' A' ' 18' ' ' LEU . 1.2 mptt -74.06 -35.13 64.25 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.488 1.118 . . . . 63.450000000000003 109.32 179.952 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.621 HD13 HD11 ' A' ' 45' ' ' ILE . 2.5 pt -93.84 -3.14 10.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.487 1.117 . . . . 75.5 109.306 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . 0.421 ' C ' ' N ' ' A' ' 40' ' ' THR . 1.0 OUTLIER -46.42 -25.18 0.61 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.487 1.117 . . . . 72.25 109.977 179.997 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . 0.401 ' ND2' ' C ' ' A' ' 39' ' ' ASN . 1.2 t30 -40.46 -29.99 0.1 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.492 1.12 . . . . 71.140000000000001 109.274 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . 0.421 ' N ' ' C ' ' A' ' 38' ' ' SER . 64.7 p -100.0 93.68 5.88 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.454 1.096 . . . . 72.209999999999994 110.458 179.938 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 54.2 m80 -88.9 44.36 1.21 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.496 1.123 . . . . 44.229999999999997 109.569 -179.944 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.404 ' CG1' ' N ' ' A' ' 43' ' ' SER . 6.8 pt -117.64 -50.57 4.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.545 1.153 . . . . 74.230000000000004 109.311 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . 0.404 ' N ' ' CG1' ' A' ' 42' ' ' ILE . 4.8 t -174.51 93.58 0.31 Allowed Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.488 1.117 . . . . 44.530000000000001 109.994 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.95 -162.26 0.15 Allowed 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.487 1.783 . . . . 51.200000000000003 110.993 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . 0.917 HG12 HD22 ' A' ' 85' ' ' LEU . 1.4 pp -115.49 124.48 72.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.512 1.132 . . . . 72.219999999999999 109.346 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 13.9 p -94.57 2.97 55.66 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.456 1.098 . . . . 75.530000000000001 110.34 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -142.45 137.5 30.37 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.469 1.106 . . . . 64.219999999999999 109.343 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.895 HG22 HD21 ' A' ' 85' ' ' LEU . 44.5 pt -126.96 143.32 40.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.501 1.125 . . . . 74.549999999999997 109.318 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 16.8 ttmt -110.66 96.61 6.29 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.499 1.124 . . . . 73.319999999999993 109.323 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' TYR . . . . . 0.759 ' CE2' ' HB2' ' A' ' 69' ' ' ALA . 9.1 p90 -83.31 152.74 24.97 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.492 1.12 . . . . 74.310000000000002 110.939 -179.927 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 43.6 tt0 -80.41 152.15 28.98 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.491 1.12 . . . . 64.340000000000003 110.282 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 15.4 t0 -112.74 -176.78 2.98 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.494 1.121 . . . . 64.340000000000003 109.313 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . 0.493 ' CB ' ' OD1' ' A' ' 76' ' ' ASN . 14.4 pt-20 -74.68 -16.25 60.77 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.477 1.111 . . . . 64.430000000000007 110.299 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -91.42 16.84 9.41 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.477 1.111 . . . . 74.140000000000001 109.325 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 51.76 37.63 43.37 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.525 1.141 . . . . 44.25 111.013 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -128.95 129.12 45.02 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.539 0.788 . . . . 64.510000000000005 109.252 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 11.6 m-30 -64.26 139.74 58.8 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.498 1.124 . . . . 62.340000000000003 110.991 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.637 HG23 ' CE1' ' A' ' 50' ' ' TYR . 0.2 OUTLIER -139.31 139.39 39.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.545 1.153 . . . . 64.549999999999997 109.255 -179.976 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 57.2 t -62.67 152.72 7.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 O-C-N 124.456 1.097 . . . . 74.530000000000001 109.322 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 1.049 HD21 HD21 ' A' ' 29' ' ' LEU . 0.3 OUTLIER -140.44 118.57 11.96 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.514 1.133 . . . . 74.129999999999995 109.291 179.986 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . 0.81 ' N ' HD12 ' A' ' 60' ' ' LEU . . . -157.82 24.63 0.42 Allowed Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.505 1.128 . . . . 51.210000000000001 110.974 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . 0.451 ' C ' ' CB ' ' A' ' 26' ' ' PHE . 75.0 m -155.3 176.93 11.93 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.535 0.785 . . . . 52.329999999999998 109.983 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 5.9 t0 -83.39 -20.89 33.36 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.49 1.119 . . . . 71.25 109.349 179.938 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . 0.444 ' O ' ' CG ' ' A' ' 64' ' ' GLU . 11.9 tt0 -80.18 -8.41 59.42 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.462 1.101 . . . . 75.329999999999998 110.305 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 26.2 m-20 -110.26 -21.01 12.45 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.513 1.133 . . . . 74.129999999999995 109.309 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' TRP . . . . . 0.582 ' CE3' ' O ' ' A' ' 66' ' ' TRP . 3.7 t-105 -93.59 -23.56 18.26 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 107.977 -1.12 . . . . 74.129999999999995 107.977 -179.943 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 5.6 t30 -88.76 -49.14 7.02 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.509 1.131 . . . . 65.140000000000001 109.285 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.409 ' CG2' ' O ' ' A' ' 64' ' ' GLU . 43.8 t -57.11 -27.58 27.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.502 1.126 . . . . 71.530000000000001 109.318 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . 0.759 ' HB2' ' CE2' ' A' ' 50' ' ' TYR . . . -77.37 -34.18 55.1 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.513 1.133 . . . . 51.229999999999997 109.306 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 2.4 mtmp? -70.53 -55.39 9.01 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.5 1.125 . . . . 50.210000000000001 109.303 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 18.0 pt-20 -51.82 -21.11 2.6 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.479 1.112 . . . . 74.109999999999999 110.299 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 2.0 tpt -83.76 -31.45 25.96 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.563 1.164 . . . . 53.0 111.032 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.563 HD21 HD23 ' A' ' 81' ' ' LEU . 3.9 mt -57.63 -46.31 84.33 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.533 1.146 . . . . 72.099999999999994 109.312 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -60.52 -15.86 31.45 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.459 1.099 . . . . 73.420000000000002 109.298 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 20.8 mt-10 -97.23 -28.35 14.12 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.483 1.115 . . . . 70.409999999999997 110.323 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' ASN . . . . . 0.493 ' OD1' ' CB ' ' A' ' 53' ' ' GLU . 80.2 m-20 -89.26 13.95 12.19 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.492 1.12 . . . . 70.319999999999993 109.292 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 25.1 m-80 40.46 32.08 0.13 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.511 1.132 . . . . 65.109999999999999 109.34 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . 0.447 ' OE1' ' CB ' ' A' ' 76' ' ' ASN . 8.8 pt-20 -114.58 145.82 41.51 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.518 1.136 . . . . 50.509999999999998 110.281 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 23.1 mmtm -111.47 15.2 21.33 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.507 1.129 . . . . 75.340000000000003 109.314 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' PHE . . . . . 0.419 ' CE2' ' HB2' ' A' ' 78' ' ' GLU . 29.0 p90 -127.42 -174.78 3.26 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.503 1.127 . . . . 71.439999999999998 110.994 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.842 HD13 ' N ' ' A' ' 82' ' ' ASN . 1.5 tm? -150.12 163.54 37.94 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.553 1.158 . . . . 64.409999999999997 109.257 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' ASN . . . . . 0.842 ' N ' HD13 ' A' ' 81' ' ' LEU . 1.0 OUTLIER -131.99 121.08 23.35 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.474 1.109 . . . . 73.129999999999995 109.281 -179.965 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . 0.433 HG22 ' N ' ' A' ' 84' ' ' ARG . 18.0 mm -113.34 162.07 11.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.445 1.09 . . . . 71.430000000000007 109.333 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . 0.477 ' O ' HD23 ' A' ' 85' ' ' LEU . 15.0 ttt180 -126.94 137.28 53.1 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.563 1.164 . . . . 72.540000000000006 110.272 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.917 HD22 HG12 ' A' ' 45' ' ' ILE . 35.8 mt -137.81 96.9 3.31 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.47 1.106 . . . . 63.340000000000003 109.256 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 4.7 t80 . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.126 . . . . 75.439999999999998 111.009 179.985 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo . . . . . 0 N--CA 1.453 -0.902 0 N-CA-C 111.004 -0.422 . . . . 74.340000000000003 111.004 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . 0.529 HD23 ' N ' ' A' ' 2' ' ' LEU . 0.2 OUTLIER -99.03 127.04 44.88 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.413 1.07 . . . . 51.329999999999998 109.291 -179.969 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -122.07 37.85 2.77 Favored Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.511 1.132 . . . . 74.209999999999994 110.995 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . 0.437 ' HB2' HD11 ' A' ' 19' ' ' LEU . 0.6 OUTLIER -137.57 173.92 11.15 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.458 0.74 . . . . 71.140000000000001 110.014 -179.997 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 17.7 mt -132.77 140.52 47.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.523 1.14 . . . . 72.239999999999995 109.284 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.852 HD13 ' N ' ' A' ' 7' ' ' PHE . 3.4 tm? -95.04 148.16 22.64 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.476 1.11 . . . . 73.299999999999997 109.341 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . 0.852 ' N ' HD13 ' A' ' 6' ' ' LEU . 4.3 m-85 -133.71 116.85 16.27 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.472 1.108 . . . . 73.540000000000006 111.004 -179.956 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . 0.601 ' CG ' ' CG2' ' A' ' 15' ' ' ILE . 2.2 tpp85 -86.14 119.32 26.3 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.513 1.133 . . . . 75.310000000000002 110.301 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.509 HG23 HD13 ' A' ' 85' ' ' LEU . 4.2 mp -107.38 118.66 55.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.497 1.123 . . . . 42.329999999999998 109.287 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . 0.416 ' HA ' ' O ' ' A' ' 14' ' ' GLU . 3.5 t -95.03 136.94 34.73 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.547 1.154 . . . . 73.420000000000002 109.989 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 2.2 t80 -159.78 129.73 5.46 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.527 1.142 . . . . 73.239999999999995 110.994 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . 0.596 ' O ' ' CB ' ' A' ' 13' ' ' SER . 6.8 t30 64.7 12.55 7.69 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.474 1.109 . . . . 62.130000000000003 109.256 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . 0.596 ' CB ' ' O ' ' A' ' 12' ' ' ASN . 1.9 t 92.95 1.81 0.08 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.484 1.115 . . . . 71.109999999999999 109.99 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . 0.429 ' CD ' ' N ' ' A' ' 15' ' ' ILE . 1.4 tp10 -98.18 152.18 19.64 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.49 1.119 . . . . 75.319999999999993 110.249 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.601 ' CG2' ' CG ' ' A' ' 8' ' ' ARG . 2.4 mm -105.01 132.56 51.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.46 1.1 . . . . 62.340000000000003 109.286 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 2.3 t80 -118.76 178.91 4.3 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.504 1.127 . . . . 45.25 110.987 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 2.0 p -136.06 140.14 43.57 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.438 1.086 . . . . 63.509999999999998 110.411 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.727 HD23 ' CE ' ' A' ' 36' ' ' LYS . 1.5 tm? -148.65 108.24 3.99 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.48 1.112 . . . . 72.439999999999998 109.33 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.493 ' C ' ' CD1' ' A' ' 19' ' ' LEU . 0.2 OUTLIER -72.82 109.68 6.59 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.463 1.102 . . . . 74.129999999999995 109.287 -179.976 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.736 HG11 ' CD1' ' A' ' 7' ' ' PHE . 4.6 p -112.67 120.51 62.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.533 1.145 . . . . 73.319999999999993 109.285 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.564 ' HB2' ' CD1' ' A' ' 24' ' ' TRP . 4.3 mm-40 -67.36 170.11 7.85 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.509 1.131 . . . . 75.310000000000002 110.275 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 4.7 mtpt -91.16 14.68 13.55 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.55 1.156 . . . . 75.430000000000007 109.318 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.471 ' CG2' ' O ' ' A' ' 23' ' ' VAL . 0.3 OUTLIER -121.49 -1.16 7.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.57 1.169 . . . . 73.510000000000005 109.265 -179.982 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' TRP . . . . . 0.564 ' CD1' ' HB2' ' A' ' 21' ' ' GLU . 27.7 m0 -81.98 118.26 22.84 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 107.976 -1.12 . . . . 65.150000000000006 107.976 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . 0.423 ' OD1' ' N ' ' A' ' 25' ' ' ASN . 10.0 p-10 -70.98 -176.06 1.28 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.52 1.137 . . . . 72.430000000000007 109.304 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . 0.513 ' CG ' ' N ' ' A' ' 27' ' ' ASP . 7.5 p90 -64.75 -40.1 94.73 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.555 1.159 . . . . 73.540000000000006 111.016 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . 0.513 ' N ' ' CG ' ' A' ' 26' ' ' PHE . 21.5 t0 -60.56 -42.3 96.35 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.505 1.128 . . . . 64.420000000000002 109.264 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . 0.557 ' O ' ' HB2' ' A' ' 32' ' ' ALA . 70.6 m-20 -73.12 -31.32 64.23 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.503 1.127 . . . . 70.140000000000001 109.326 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.968 ' CD2' HD21 ' A' ' 60' ' ' LEU . 10.9 tp -64.24 -49.17 72.96 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.126 . . . . 71.439999999999998 109.327 179.945 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.552 HD13 HG12 ' A' ' 48' ' ' ILE . 13.6 mm -64.46 -45.02 96.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.465 1.103 . . . . 62.119999999999997 109.318 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 31.1 mmt -71.14 -21.46 62.19 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.514 1.134 . . . . 74.239999999999995 110.955 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . 0.557 ' HB2' ' O ' ' A' ' 28' ' ' ASP . . . -68.31 -45.02 74.14 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.522 1.139 . . . . 54.229999999999997 109.309 -179.949 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.465 HD12 ' O ' ' A' ' 29' ' ' LEU . 3.9 mp -79.71 -46.72 22.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.513 1.133 . . . . 54.439999999999998 109.301 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . 0.51 HD21 HD12 ' A' ' 45' ' ' ILE . 1.4 m-80 -54.52 -22.49 13.14 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.473 1.108 . . . . 65.439999999999998 109.288 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 1.5 t -80.25 -42.52 23.04 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.443 1.09 . . . . 53.130000000000003 109.976 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 0.727 ' CE ' HD23 ' A' ' 18' ' ' LEU . 1.0 OUTLIER -65.75 -41.97 91.48 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.482 1.114 . . . . 70.329999999999998 109.285 -179.999 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.465 HG23 ' O ' ' A' ' 33' ' ' ILE . 1.9 pt -76.51 -16.12 14.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.469 1.106 . . . . 75.409999999999997 109.316 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . 0.441 ' C ' ' N ' ' A' ' 40' ' ' THR . 3.2 t -54.87 -20.55 9.03 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.473 1.108 . . . . 75.209999999999994 109.985 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . 0.417 ' ND2' ' C ' ' A' ' 39' ' ' ASN . 1.2 t30 -40.51 -30.4 0.11 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.532 1.145 . . . . 62.530000000000001 109.296 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . 0.462 ' O ' HG23 ' A' ' 42' ' ' ILE . 70.1 p -87.84 -48.31 7.92 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.545 1.153 . . . . 60.140000000000001 110.388 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 27.2 t60 57.79 34.85 24.9 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.487 1.117 . . . . 73.340000000000003 109.579 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.701 HD12 ' HB3' ' A' ' 43' ' ' SER . 1.3 pp -111.23 -30.46 2.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.46 1.1 . . . . 73.099999999999994 109.312 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . 0.701 ' HB3' HD12 ' A' ' 42' ' ' ILE . 3.4 t 167.27 94.15 0.03 OUTLIER Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.459 1.099 . . . . 64.329999999999998 110.038 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -162.23 0.14 Allowed 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.568 1.825 . . . . 73.129999999999995 110.984 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . 0.51 HD12 HD21 ' A' ' 34' ' ' ASN . 1.3 pp -115.47 157.95 16.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.473 1.108 . . . . 75.129999999999995 109.27 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 4.1 p -114.86 -7.65 12.6 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.461 1.101 . . . . 72.299999999999997 110.413 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 7.2 ptmm? -139.66 109.44 6.32 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.505 1.128 . . . . 64.099999999999994 109.312 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.552 HG12 HD13 ' A' ' 30' ' ' ILE . 5.0 pt -99.15 141.39 16.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.524 1.14 . . . . 75.150000000000006 109.331 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . 0.681 ' HD3' HG22 ' A' ' 59' ' ' VAL . 1.3 tppp? -103.04 120.93 41.56 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.471 1.107 . . . . 75.25 109.313 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' TYR . . . . . 0.588 ' HB2' HD21 ' A' ' 81' ' ' LEU . 7.9 p90 -112.13 146.72 37.54 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.556 1.16 . . . . 75.109999999999999 111.037 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . 0.406 ' NE2' ' HA2' ' A' ' 55' ' ' GLY . 51.0 tt0 -73.4 156.1 38.66 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.454 1.096 . . . . 63.140000000000001 110.274 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 12.4 t0 -113.11 -173.21 2.21 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.522 1.139 . . . . 54.020000000000003 109.282 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . 0.415 ' HG2' ' CG ' ' A' ' 72' ' ' MET . 2.7 pp20? -77.71 -5.94 52.27 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.544 1.153 . . . . 53.030000000000001 110.277 -179.945 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 24.5 t70 -96.61 -1.11 47.52 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.506 1.129 . . . . 73.510000000000005 109.258 -179.95 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . 0.406 ' HA2' ' NE2' ' A' ' 51' ' ' GLN . . . 78.27 0.52 77.96 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.493 1.121 . . . . 35.200000000000003 111.015 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 6.8 t0 -84.65 -175.41 5.77 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.472 0.748 . . . . 70.349999999999994 109.317 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 3.1 p90 -115.05 130.5 56.95 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.496 1.123 . . . . 75.319999999999993 111.004 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.462 ' O ' ' CD1' ' A' ' 50' ' ' TYR . 0.0 OUTLIER -132.79 131.32 59.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.49 1.119 . . . . 73.219999999999999 109.325 -179.981 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.681 HG22 ' HD3' ' A' ' 49' ' ' LYS . 76.4 t -59.2 165.03 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.476 1.11 . . . . 74.519999999999996 109.309 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.968 HD21 ' CD2' ' A' ' 29' ' ' LEU . 3.2 tp -152.91 120.67 6.06 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.545 1.153 . . . . 74.340000000000003 109.287 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . 0.556 ' N ' HD12 ' A' ' 60' ' ' LEU . . . -161.84 26.99 0.26 Allowed Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.509 1.131 . . . . 53.219999999999999 111.002 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 9.3 m -160.63 162.71 32.82 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.495 0.762 . . . . 75.329999999999998 109.991 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -71.09 -29.6 65.5 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.504 1.128 . . . . 71.530000000000001 109.262 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . 0.492 ' O ' ' CG2' ' A' ' 68' ' ' VAL . 3.2 tt0 -71.07 -8.13 51.29 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.493 1.121 . . . . 75.340000000000003 110.245 -179.918 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . 0.4 ' HB3' HD13 ' A' ' 60' ' ' LEU . 10.8 t0 -110.27 -23.76 11.05 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.508 1.13 . . . . 71.209999999999994 109.301 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' TRP . . . . . 0.599 ' CE3' ' O ' ' A' ' 66' ' ' TRP . 3.6 t-105 -91.09 -21.29 21.29 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.544 1.152 . . . . 72.120000000000005 108.029 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 81.2 m-20 -95.36 -25.59 16.23 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.552 1.157 . . . . 71.450000000000003 109.288 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.492 ' CG2' ' O ' ' A' ' 64' ' ' GLU . 3.6 t -79.73 -14.91 13.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.487 1.117 . . . . 74.219999999999999 109.27 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . 0.462 ' HB2' ' CE2' ' A' ' 50' ' ' TYR . . . -93.09 -45.05 8.08 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.482 1.114 . . . . 60.240000000000002 109.337 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . 0.569 ' HD3' ' CH2' ' A' ' 66' ' ' TRP . 3.1 mtmp? -52.44 -54.87 26.58 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.495 1.122 . . . . 72.129999999999995 109.317 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 33.0 mt-10 -45.73 -32.74 2.63 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.541 1.151 . . . . 55.340000000000003 110.293 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' MET . . . . . 0.415 ' CG ' ' HG2' ' A' ' 53' ' ' GLU . 20.3 tpp -72.18 -41.27 67.18 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.514 1.134 . . . . 63.43 110.973 -179.947 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.486 HD11 HD12 ' A' ' 81' ' ' LEU . 4.8 mt -52.73 -44.08 66.16 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.518 1.136 . . . . 73.400000000000006 109.303 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -57.58 -33.46 68.19 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.573 1.17 . . . . 44.520000000000003 109.337 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 76.3 mt-10 -82.16 -24.06 35.23 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.479 1.112 . . . . 73.219999999999999 110.323 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' ASN . . . . . 0.646 ' N ' HD22 ' A' ' 76' ' ' ASN . 1.0 OUTLIER -89.31 -16.04 32.04 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.547 1.155 . . . . 75.150000000000006 109.322 179.948 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . 0.446 ' N ' ' O ' ' A' ' 73' ' ' LEU . 6.2 m-80 60.69 46.12 9.49 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.473 1.108 . . . . 61.240000000000002 109.287 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . 0.41 ' CD ' HD22 ' A' ' 73' ' ' LEU . 10.7 pt-20 -125.05 154.77 40.82 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.517 1.136 . . . . 61.439999999999998 110.301 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 59.4 mmtt -119.97 29.92 7.29 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.517 1.136 . . . . 74.329999999999998 109.326 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 7.7 p90 -144.95 170.66 15.72 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.459 1.099 . . . . 71.030000000000001 110.977 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.709 HD13 ' CZ ' ' A' ' 7' ' ' PHE . 2.0 tt -150.06 158.73 44.46 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.484 1.115 . . . . 64.120000000000005 109.315 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' ASN . . . . . 0.603 ' O ' HD23 ' A' ' 81' ' ' LEU . 1.2 t30 -115.03 148.87 38.3 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.547 1.154 . . . . 72.109999999999999 109.275 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . 0.52 HG22 ' N ' ' A' ' 84' ' ' ARG . 15.5 mm -137.44 167.31 23.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.494 1.121 . . . . 53.32 109.279 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . 0.755 ' O ' HD12 ' A' ' 85' ' ' LEU . 15.8 ttt180 -145.04 126.58 15.06 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.518 1.136 . . . . 72.510000000000005 110.285 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.755 HD12 ' O ' ' A' ' 84' ' ' ARG . 10.8 mp -133.31 139.68 47.01 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.511 1.132 . . . . 72.530000000000001 109.336 179.934 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 17.5 t80 . . . . . 0 C--N 1.326 -0.45 0 O-C-N 124.478 1.112 . . . . 61.109999999999999 111.028 179.998 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 N--CA 1.453 -0.879 0 N-CA-C 110.948 -0.443 . . . . 75.120000000000005 110.948 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 6.0 mp -100.44 -24.6 14.45 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.489 1.118 . . . . 64.340000000000003 109.318 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -82.56 64.39 4.29 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.51 1.131 . . . . 14.300000000000001 111.034 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . 0.648 ' HB2' HD11 ' A' ' 19' ' ' LEU . 26.1 m -171.26 -175.23 1.62 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.535 0.785 . . . . 52.539999999999999 109.977 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.525 HD13 HD12 ' A' ' 73' ' ' LEU . 29.4 mt -126.19 144.75 35.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.532 1.145 . . . . 73.129999999999995 109.246 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -88.73 142.25 27.83 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.469 1.106 . . . . 74.450000000000003 109.279 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . 0.892 ' CE1' HD23 ' A' ' 81' ' ' LEU . 1.0 OUTLIER -122.61 108.51 13.19 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.473 1.108 . . . . 73.239999999999995 111.023 179.995 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . 0.6 ' CZ ' ' CE1' ' A' ' 80' ' ' PHE . 91.9 mtt180 -86.11 112.94 21.76 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.442 1.089 . . . . 72.209999999999994 110.303 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.808 ' CG2' HD22 ' A' ' 85' ' ' LEU . 3.9 mp -98.67 101.66 12.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.49 1.119 . . . . 74.349999999999994 109.332 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . 0.568 ' CB ' HD13 ' A' ' 15' ' ' ILE . 1.4 p -92.32 117.28 29.74 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.513 1.133 . . . . 62.43 110.053 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 1.1 t80 -101.68 46.54 0.93 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.525 1.141 . . . . 74.239999999999995 111.022 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 2.8 m-20 54.95 17.04 1.68 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.524 1.14 . . . . 52.310000000000002 109.286 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 13.4 t -142.35 -89.81 0.14 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.523 1.139 . . . . 44.140000000000001 109.984 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 30.8 mt-10 -106.75 158.81 16.7 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.551 1.157 . . . . 72.109999999999999 110.284 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.568 HD13 ' CB ' ' A' ' 10' ' ' SER . 3.2 mm -100.89 130.71 49.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.127 . . . . 73.450000000000003 109.303 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 4.4 m-85 -102.46 174.69 5.79 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.509 1.13 . . . . 74.140000000000001 111.021 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 2.0 p -132.53 125.57 30.89 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.54 1.15 . . . . 74.019999999999996 110.381 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.866 HD23 ' HD2' ' A' ' 36' ' ' LYS . 0.8 OUTLIER -134.94 110.24 8.99 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.503 1.127 . . . . 72.439999999999998 109.289 -179.98 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.648 HD11 ' HB2' ' A' ' 4' ' ' SER . 0.1 OUTLIER -67.3 102.22 1.05 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.461 1.1 . . . . 72.329999999999998 109.322 179.984 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.756 HG23 ' HE3' ' A' ' 24' ' ' TRP . 6.3 p -106.22 112.24 38.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.445 1.09 . . . . 54.210000000000001 109.296 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.568 ' HB2' ' CD1' ' A' ' 24' ' ' TRP . 5.2 mm-40 -52.94 169.8 0.09 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.525 1.141 . . . . 70.519999999999996 110.266 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . 0.513 ' HZ2' ' C ' ' A' ' 4' ' ' SER . 0.7 OUTLIER -89.22 15.42 8.95 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.471 1.107 . . . . 52.509999999999998 109.294 -179.994 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.538 ' O ' HG22 ' A' ' 23' ' ' VAL . 0.8 OUTLIER -125.5 2.97 4.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.518 1.137 . . . . 73.409999999999997 109.259 -179.951 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' TRP . . . . . 0.756 ' HE3' HG23 ' A' ' 20' ' ' VAL . 33.0 m0 -86.33 87.55 7.45 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.529 1.143 . . . . 75.349999999999994 108.005 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . 0.432 ' HA ' ' CE2' ' A' ' 66' ' ' TRP . 15.2 p-10 -55.53 -178.92 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.505 1.128 . . . . 71.340000000000003 109.279 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 19.3 p90 -53.73 -31.23 47.5 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.467 1.104 . . . . 73.540000000000006 111.017 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 15.7 t0 -67.05 -64.51 0.84 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.536 1.147 . . . . 72.510000000000005 109.282 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . 0.778 ' O ' ' HB2' ' A' ' 32' ' ' ALA . 0.9 OUTLIER -58.14 -17.84 21.26 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.127 . . . . 73.430000000000007 109.321 179.992 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.774 ' C ' HD12 ' A' ' 29' ' ' LEU . 0.1 OUTLIER -75.94 -58.38 3.32 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.541 1.151 . . . . 73.140000000000001 109.296 179.943 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.445 HD13 ' HA ' ' A' ' 30' ' ' ILE . 25.2 mm -58.21 -40.07 76.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.482 1.114 . . . . 75.109999999999999 109.304 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 25.5 mmm -75.64 -19.3 59.28 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.504 1.128 . . . . 52.049999999999997 111.014 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . 0.778 ' HB2' ' O ' ' A' ' 28' ' ' ASP . . . -73.93 -67.01 0.64 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.548 1.155 . . . . 61.43 109.265 -179.957 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.822 HD11 ' HD2' ' A' ' 7' ' ' PHE . 3.8 mp -58.36 -32.54 45.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.514 1.134 . . . . 72.319999999999993 109.3 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . 0.444 ' ND2' ' O ' ' A' ' 30' ' ' ILE . 0.7 OUTLIER -55.43 -20.36 12.09 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.501 1.126 . . . . 71.310000000000002 109.266 -179.965 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 8.6 t -92.7 -21.99 19.66 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.484 1.115 . . . . 34.039999999999999 110.024 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 0.866 ' HD2' HD23 ' A' ' 18' ' ' LEU . 0.0 OUTLIER -77.19 -42.35 37.91 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.487 1.117 . . . . 75.450000000000003 109.288 -179.99 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.47 HD11 ' CB ' ' A' ' 44' ' ' PRO . 13.4 pt -80.24 -16.0 12.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.52 1.138 . . . . 62.020000000000003 109.246 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . 0.433 ' C ' ' N ' ' A' ' 40' ' ' THR . 11.0 t -54.58 -19.36 5.81 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.529 1.143 . . . . 71.340000000000003 109.985 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . 0.441 ' OD1' HG23 ' A' ' 40' ' ' THR . 14.5 p-10 -41.42 -29.34 0.15 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.485 1.116 . . . . 70.030000000000001 109.283 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . 0.442 ' CB ' HG12 ' A' ' 42' ' ' ILE . 13.0 p -93.28 -57.62 2.55 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.467 1.105 . . . . 75.530000000000001 110.379 -179.939 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' HIS . . . . . 0.491 ' C ' HD13 ' A' ' 42' ' ' ILE . 11.4 t-160 80.73 31.53 0.16 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.481 1.113 . . . . 62.200000000000003 109.588 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.491 HD13 ' C ' ' A' ' 41' ' ' HIS . 0.9 OUTLIER -102.58 -75.77 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.529 1.143 . . . . 75.230000000000004 109.3 180.0 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 46.6 p -143.73 101.23 5.03 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.477 1.111 . . . . 54.509999999999998 110.007 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . 0.47 ' CB ' HD11 ' A' ' 37' ' ' ILE . 18.2 Cg_endo -75.04 -162.26 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.494 1.787 . . . . 75.540000000000006 111.011 -179.953 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 1.3 pp -132.95 168.1 25.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.483 1.115 . . . . 51.020000000000003 109.33 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 3.2 p -129.17 4.65 5.26 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.501 1.126 . . . . 74.349999999999994 110.393 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . 0.424 ' O ' HG23 ' A' ' 48' ' ' ILE . 0.0 OUTLIER -142.68 163.68 32.15 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.524 1.14 . . . . 74.239999999999995 109.287 -179.984 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.66 HD12 HD12 ' A' ' 83' ' ' ILE . 4.6 pt -150.9 163.15 3.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.515 1.134 . . . . 73.200000000000003 109.28 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . 0.428 ' HE3' HG23 ' A' ' 59' ' ' VAL . 23.8 tttt -122.81 91.88 3.59 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.502 1.126 . . . . 73.230000000000004 109.316 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' TYR . . . . . 0.598 ' CE2' ' HB1' ' A' ' 69' ' ' ALA . 6.5 p90 -81.59 151.24 27.77 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.451 1.094 . . . . 74.409999999999997 111.014 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . 0.404 ' O ' ' CD2' ' A' ' 50' ' ' TYR . 36.4 tt0 -75.97 153.7 36.39 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.524 1.14 . . . . 75.120000000000005 110.315 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . 0.452 ' OD1' ' N ' ' A' ' 54' ' ' ASP . 18.1 p30 -120.69 -173.13 2.52 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.516 1.135 . . . . 65.540000000000006 109.287 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 5.2 pt-20 -72.04 -23.87 61.45 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.544 1.152 . . . . 74.219999999999999 110.264 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . 0.452 ' N ' ' OD1' ' A' ' 52' ' ' ASP . 0.2 OUTLIER -80.09 1.45 27.87 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.518 1.136 . . . . 73.310000000000002 109.254 -179.969 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 64.13 20.49 64.99 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.505 1.128 . . . . 54.200000000000003 111.005 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 19.5 m-20 -115.31 124.64 51.82 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.56 0.8 . . . . 52.119999999999997 109.273 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 5.7 p90 -54.13 139.71 34.44 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.483 1.115 . . . . 72.209999999999994 110.964 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.566 HG23 ' CE1' ' A' ' 50' ' ' TYR . 0.1 OUTLIER -139.11 135.95 42.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.443 1.089 . . . . 72.430000000000007 109.307 179.982 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.428 HG23 ' HE3' ' A' ' 49' ' ' LYS . 68.2 t -58.12 159.95 1.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.469 1.106 . . . . 73.439999999999998 109.273 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.777 HD12 ' N ' ' A' ' 61' ' ' GLY . 0.3 OUTLIER -157.83 116.35 3.14 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.549 1.156 . . . . 71.109999999999999 109.315 179.99 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . 0.777 ' N ' HD12 ' A' ' 60' ' ' LEU . . . -155.22 25.84 0.61 Allowed Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.525 1.14 . . . . 50.420000000000002 111.019 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 3.5 p -149.69 167.62 25.91 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.462 0.742 . . . . 65.310000000000002 110.006 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 1.1 p-10 -74.86 -29.74 61.12 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.444 1.09 . . . . 74.120000000000005 109.282 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . 0.492 ' O ' ' CG2' ' A' ' 68' ' ' VAL . 8.7 tt0 -69.81 -17.79 63.42 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.518 1.136 . . . . 73.329999999999998 110.256 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . 0.41 ' HB3' HD13 ' A' ' 60' ' ' LEU . 16.0 t0 -109.36 -15.49 14.24 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.513 1.133 . . . . 73.349999999999994 109.319 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' TRP . . . . . 0.51 ' CZ2' ' HE2' ' A' ' 70' ' ' LYS . 0.0 OUTLIER -93.17 -22.01 19.31 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.568 1.168 . . . . 73.25 108.024 179.951 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 7.6 t30 -96.53 -36.27 10.82 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.519 1.137 . . . . 64.450000000000003 109.312 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.492 ' CG2' ' O ' ' A' ' 64' ' ' GLU . 73.8 t -75.78 -16.79 15.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.593 1.183 . . . . 73.439999999999998 109.262 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . 0.598 ' HB1' ' CE2' ' A' ' 50' ' ' TYR . . . -89.16 -38.82 14.01 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.538 1.149 . . . . 71.510000000000005 109.339 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . 0.51 ' HE2' ' CZ2' ' A' ' 66' ' ' TRP . 4.9 mtmp? -70.37 -48.55 55.74 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.529 1.143 . . . . 72.510000000000005 109.357 179.932 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 9.6 pt-20 -55.82 -18.9 9.72 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.551 1.157 . . . . 64.349999999999994 110.289 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' MET . . . . . 0.405 ' HG2' ' ND2' ' A' ' 76' ' ' ASN . 14.9 ttm -81.63 -29.65 33.14 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.533 1.146 . . . . 74.430000000000007 110.964 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.525 HD12 HD13 ' A' ' 5' ' ' ILE . 12.2 mt -52.77 -52.38 56.84 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.121 . . . . 70.450000000000003 109.284 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -55.73 -19.43 10.99 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.457 1.098 . . . . 74.329999999999998 109.253 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -90.41 -29.29 18.1 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.52 1.137 . . . . 74.239999999999995 110.326 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' ASN . . . . . 0.591 ' N ' HD22 ' A' ' 76' ' ' ASN . 1.0 OUTLIER -84.95 -1.84 57.19 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.532 1.145 . . . . 73.109999999999999 109.272 179.969 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 2.3 m-80 60.66 20.73 10.68 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.481 1.113 . . . . 71.099999999999994 109.273 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . 0.425 ' OE1' ' CB ' ' A' ' 76' ' ' ASN . 11.1 pt-20 -105.89 148.37 27.68 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.512 1.133 . . . . 74.109999999999999 110.298 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 16.1 mtmt -110.67 19.31 18.78 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.514 1.134 . . . . 60.340000000000003 109.281 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' PHE . . . . . 0.6 ' CE1' ' CZ ' ' A' ' 8' ' ' ARG . 5.4 p90 -142.57 170.13 16.28 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.499 1.124 . . . . 72.010000000000005 110.999 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.94 HD12 ' N ' ' A' ' 82' ' ' ASN . 3.5 tp -136.88 140.91 42.68 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.511 1.132 . . . . 72.319999999999993 109.265 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' ASN . . . . . 0.94 ' N ' HD12 ' A' ' 81' ' ' LEU . 1.0 OUTLIER -114.17 119.88 38.6 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.512 1.132 . . . . 64.430000000000007 109.298 179.97 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . 0.66 HD12 HD12 ' A' ' 48' ' ' ILE . 33.5 mm -101.14 162.66 3.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.491 1.119 . . . . 63.520000000000003 109.288 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . 0.449 ' N ' HG22 ' A' ' 83' ' ' ILE . 3.4 tpp180 -136.09 120.52 18.08 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.491 1.119 . . . . 74.239999999999995 110.293 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.808 HD22 ' CG2' ' A' ' 9' ' ' ILE . 8.8 mp -101.93 147.72 26.2 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.464 1.103 . . . . 70.239999999999995 109.322 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 86' ' ' TYR . . . . . 0.571 ' C ' ' CD1' ' A' ' 86' ' ' TYR . 1.5 p90 . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.509 1.13 . . . . 51.210000000000001 110.986 -179.979 . . . . . . . . 1 1 . 1 stop_ save_