data_1wxb_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 1wxb _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 ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.314 0 N-CA-C 109.305 -0.628 . . . . 0.0 109.305 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 82.7 m-85 -145.98 169.82 17.87 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.532 1.145 . . . . 0.0 110.968 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 7.0 p -131.14 137.6 55.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.512 1.132 . . . . 0.0 109.296 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -104.22 109.59 21.47 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.498 1.124 . . . . 0.0 109.304 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 50.8 mm -52.42 138.25 11.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.457 1.098 . . . . 0.0 109.249 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 87.3 mt -103.09 -36.96 7.95 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.469 1.106 . . . . 0.0 109.326 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 57.7 m-85 -127.12 135.61 50.97 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.465 1.103 . . . . 0.0 110.997 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 1.5 p-10 -63.74 121.23 13.47 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.494 1.121 . . . . 0.0 109.263 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . 0.441 ' CD2' HG13 ' A' ' 54' ' ' VAL . 69.0 t80 -114.29 140.46 48.58 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.52 1.138 . . . . 0.0 111.0 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 30.8 m -112.12 96.36 5.99 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.51 1.131 . . . . 0.0 110.426 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.497 1.123 . . . . 0.0 109.295 -179.944 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 29.3 mt-10 . . . . . 0 N--CA 1.452 -0.327 0 N-CA-C 110.306 -0.257 . . . . 0.0 110.306 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 8.4 tp -109.43 138.26 46.05 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.54 1.15 . . . . 0.0 109.308 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 4.0 p -94.31 118.38 31.51 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.504 1.127 . . . . 0.0 109.99 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 34.5 m -128.86 175.16 10.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.497 1.123 . . . . 0.0 109.286 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 17.9 mt -125.93 178.89 5.47 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.441 1.088 . . . . 0.0 109.282 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . 0.407 ' HG2' ' N ' ' A' ' 29' ' ' ASP . 1.4 tttt -82.69 141.49 32.4 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.529 1.143 . . . . 0.0 109.266 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . 0.407 ' N ' ' HG2' ' A' ' 28' ' ' LYS . 0.2 OUTLIER 73.21 26.3 2.13 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.548 1.155 . . . . 0.0 109.34 -179.993 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 8.7 mt-10 -105.23 158.48 16.57 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.471 1.107 . . . . 0.0 110.266 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 69.3 t -131.79 115.71 28.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.472 1.108 . . . . 0.0 109.306 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 2.1 mm? -105.78 179.11 4.37 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.494 1.121 . . . . 0.0 109.32 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 4.8 tt0 -107.08 112.81 25.91 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.519 1.137 . . . . 0.0 110.312 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . 0.42 ' HA ' ' CD1' ' A' ' 44' ' ' LEU . 9.9 p -71.98 131.84 34.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.528 1.142 . . . . 0.0 109.339 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 4.2 mt -115.62 -44.84 2.93 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.525 1.14 . . . . 0.0 109.318 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -121.5 123.91 43.17 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.448 1.093 . . . . 0.0 110.313 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -129.03 176.64 7.73 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.459 1.1 . . . . 0.0 109.292 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 68.99 19.17 73.45 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.537 1.148 . . . . 0.0 110.953 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -127.9 163.43 24.46 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.531 0.783 . . . . 0.0 110.287 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 3.8 mt-30 -38.82 -68.41 0.16 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.456 1.097 . . . . 0.0 110.299 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' TRP . . . . . 0.57 ' CZ3' ' HD3' ' A' ' 55' ' ' PRO . 11.3 m0 -111.73 137.83 49.11 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.537 1.148 . . . . 0.0 107.999 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' TRP . . . . . 0.555 ' CE3' HD11 ' A' ' 59' ' ' LEU . 46.6 m0 -83.38 157.72 22.41 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.478 1.111 . . . . 0.0 108.01 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . 0.57 ' HB2' ' CE1' ' A' ' 53' ' ' TYR . 9.5 tttp -116.07 99.88 7.56 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.504 1.128 . . . . 0.0 109.322 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.479 ' CD2' ' CG2' ' A' ' 54' ' ' VAL . 0.3 OUTLIER -95.74 167.04 11.52 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.485 1.116 . . . . 0.0 109.354 -179.988 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 8.1 ttp180 -137.5 122.82 19.41 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.467 1.105 . . . . 0.0 110.321 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 9.7 t -73.32 168.91 18.22 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.546 1.154 . . . . 0.0 110.045 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 5.8 mmt85 -71.71 -16.87 62.24 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.494 1.121 . . . . 0.0 110.326 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 44.1 m -69.42 -23.53 63.71 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.488 1.118 . . . . 0.0 110.054 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 106.96 17.34 11.87 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.494 1.121 . . . . 0.0 110.943 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 1.7 mp0 -99.68 152.52 19.98 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.488 0.758 . . . . 0.0 110.249 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -140.2 131.26 26.28 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.484 1.115 . . . . 0.0 109.262 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -150.15 175.95 29.0 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.507 1.129 . . . . 0.0 111.011 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' TYR . . . . . 0.57 ' CE1' ' HB2' ' A' ' 43' ' ' LYS . 43.2 m-85 -105.22 143.08 33.89 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.496 0.762 . . . . 0.0 111.005 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . 0.489 ' C ' ' CE3' ' A' ' 41' ' ' TRP . 0.0 OUTLIER -144.57 164.06 30.42 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.503 1.127 . . . . 0.0 109.275 -179.976 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' PRO . . . . . 0.57 ' HD3' ' CZ3' ' A' ' 41' ' ' TRP . 18.3 Cg_endo -74.97 142.46 27.98 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.537 1.809 . . . . 0.0 110.993 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 24.4 p -79.37 -4.45 51.05 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.505 1.128 . . . . 0.0 108.251 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 2.1 t30 -66.36 -38.28 87.23 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.539 1.15 . . . . 0.0 109.292 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 13.5 pt -87.5 -23.68 6.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.55 1.156 . . . . 0.0 109.363 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . 0.555 HD11 ' CE3' ' A' ' 42' ' ' TRP . 84.4 mt -64.48 163.03 14.12 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.522 1.139 . . . . 0.0 109.282 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.006 0 O-C-N 124.439 1.087 . . . . 0.0 111.04 179.969 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.303 0 N-CA-C 109.322 -0.622 . . . . 0.0 109.322 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 48.4 m-85 -138.08 158.56 44.07 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.516 1.135 . . . . 0.0 111.005 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 7.1 p -124.99 141.79 43.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.485 1.116 . . . . 0.0 109.314 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 9.3 tttt -107.43 121.76 45.26 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.527 1.142 . . . . 0.0 109.287 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . 0.482 ' CG2' ' O ' ' A' ' 14' ' ' TYR . 25.3 mm -66.83 120.67 14.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.502 1.126 . . . . 0.0 109.291 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 95.9 mt -84.19 -25.45 29.53 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.523 1.14 . . . . 0.0 109.298 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . 0.482 ' O ' ' CG2' ' A' ' 12' ' ' ILE . 74.1 m-85 -143.53 144.27 31.89 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.519 1.137 . . . . 0.0 111.034 179.943 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . 0.421 ' CB ' HD22 ' A' ' 27' ' ' LEU . 5.5 p30 -67.37 130.81 44.25 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.495 1.122 . . . . 0.0 109.281 -179.934 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . 0.515 ' CD2' HG12 ' A' ' 54' ' ' VAL . 76.4 t80 -127.2 143.34 51.27 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.51 1.131 . . . . 0.0 111.0 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' THR . . . . . 0.402 ' O ' ' C ' ' A' ' 18' ' ' ALA . 24.2 m -119.12 111.26 18.04 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.487 1.117 . . . . 0.0 110.39 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . 0.402 ' C ' ' O ' ' A' ' 17' ' ' THR . . . . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.525 1.141 . . . . 0.0 109.325 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 23.3 mt-10 . . . . . 0 N--CA 1.453 -0.275 0 N-CA-C 110.336 -0.246 . . . . 0.0 110.336 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.422 HD13 ' N ' ' A' ' 52' ' ' GLY . 2.0 tp -115.26 151.72 34.01 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.497 1.123 . . . . 0.0 109.298 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 4.9 p -108.63 118.04 35.74 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.554 1.159 . . . . 0.0 110.0 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 15.8 m -133.41 167.05 27.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.442 1.089 . . . . 0.0 109.3 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.421 HD22 ' CB ' ' A' ' 15' ' ' ASP . 27.4 mt -117.52 179.12 4.15 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.463 1.102 . . . . 0.0 109.267 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . 0.438 ' O ' ' CB ' ' A' ' 29' ' ' ASP . 2.8 tttt -80.13 141.03 36.14 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.495 1.122 . . . . 0.0 109.293 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . 0.438 ' CB ' ' O ' ' A' ' 28' ' ' LYS . 12.0 t0 77.07 28.61 0.63 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.531 1.144 . . . . 0.0 109.339 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 14.2 mt-10 -109.65 162.19 14.66 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.523 1.139 . . . . 0.0 110.297 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 69.8 t -134.02 125.81 49.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.531 1.144 . . . . 0.0 109.315 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 2.3 mm? -115.43 178.45 4.29 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.122 . . . . 0.0 109.339 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . 0.466 ' HG2' ' CD2' ' A' ' 35' ' ' LEU . 3.5 tt0 -109.47 102.62 11.47 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.482 1.114 . . . . 0.0 110.306 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 12.5 p -71.24 125.36 29.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.484 1.115 . . . . 0.0 109.278 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.466 ' CD2' ' HG2' ' A' ' 33' ' ' GLU . 0.3 OUTLIER -108.03 -42.95 4.53 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.488 1.117 . . . . 0.0 109.268 -179.977 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -118.41 127.2 53.45 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.517 1.136 . . . . 0.0 110.284 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 6.0 p-10 -137.85 174.8 10.19 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.486 1.116 . . . . 0.0 109.326 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 95.5 -12.17 67.97 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.482 1.114 . . . . 0.0 111.003 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -108.77 161.76 14.81 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.539 0.788 . . . . 0.0 110.293 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 7.6 tt0 -43.34 -65.88 0.44 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.487 1.117 . . . . 0.0 110.261 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' TRP . . . . . 0.555 ' CE3' ' C ' ' A' ' 54' ' ' VAL . 22.4 m95 -96.34 133.85 40.21 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.511 1.132 . . . . 0.0 108.034 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' TRP . . . . . 0.419 ' CE3' HD12 ' A' ' 59' ' ' LEU . 31.6 m0 -94.49 164.48 12.97 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.49 1.119 . . . . 0.0 107.999 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . 0.41 ' HB2' ' CE1' ' A' ' 53' ' ' TYR . 14.9 tttt -116.42 99.72 7.38 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.504 1.128 . . . . 0.0 109.345 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.453 ' CD2' ' CG2' ' A' ' 54' ' ' VAL . 0.4 OUTLIER -94.78 167.16 11.61 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.53 1.144 . . . . 0.0 109.307 -179.993 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 60.2 ttp85 -144.29 114.55 7.48 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.497 1.123 . . . . 0.0 110.275 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -72.38 160.48 32.27 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.535 1.147 . . . . 0.0 110.017 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.26 -18.3 25.62 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.497 1.123 . . . . 0.0 110.315 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 1.3 m -70.19 -6.94 37.96 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.535 1.147 . . . . 0.0 109.999 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 91.9 -16.74 58.71 Favored Glycine 0 CA--C 1.529 0.935 0 O-C-N 124.501 1.126 . . . . 0.0 110.974 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 1.6 mp0 -65.02 153.08 41.77 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.44 0.729 . . . . 0.0 110.318 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -145.65 129.31 17.12 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.546 1.154 . . . . 0.0 109.266 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . 0.422 ' N ' HD13 ' A' ' 24' ' ' LEU . . . -150.24 165.95 29.96 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.47 1.106 . . . . 0.0 110.99 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' TYR . . . . . 0.41 ' CE1' ' HB2' ' A' ' 43' ' ' LYS . 47.9 m-85 -93.96 147.71 22.84 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.49 0.759 . . . . 0.0 111.009 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . 0.555 ' C ' ' CE3' ' A' ' 41' ' ' TRP . 0.0 OUTLIER -148.39 166.33 15.87 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.469 1.105 . . . . 0.0 109.298 179.978 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 143.21 28.87 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.501 1.79 . . . . 0.0 110.988 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 14.4 p -79.36 -2.0 39.59 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.518 1.136 . . . . 0.0 108.34 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 4.2 m120 -70.02 -34.19 72.96 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.476 1.11 . . . . 0.0 109.335 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 16.8 pt -92.45 -19.3 6.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.505 1.128 . . . . 0.0 109.28 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . 0.419 HD12 ' CE3' ' A' ' 42' ' ' TRP . 98.1 mt -71.4 154.29 41.66 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.528 1.143 . . . . 0.0 109.276 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.981 0 O-C-N 124.465 1.103 . . . . 0.0 111.033 -179.978 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.285 0 N-CA-C 109.292 -0.632 . . . . 0.0 109.292 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' TYR . . . . . 0.47 ' CE1' ' HG3' ' A' ' 33' ' ' GLU . 89.5 m-85 -146.41 167.4 23.7 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.473 1.108 . . . . 0.0 111.009 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 9.4 p -134.76 139.02 48.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.53 1.144 . . . . 0.0 109.299 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . 0.448 ' CE ' ' HA ' ' A' ' 29' ' ' ASP . 5.5 tttt -99.38 122.68 42.85 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.477 1.111 . . . . 0.0 109.327 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 48.1 mm -67.86 123.14 20.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.531 1.145 . . . . 0.0 109.286 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 88.3 mt -88.21 -28.29 21.25 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.464 1.103 . . . . 0.0 109.311 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 74.3 m-85 -138.85 138.07 37.15 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.461 1.101 . . . . 0.0 110.986 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -63.42 121.18 13.17 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.54 1.15 . . . . 0.0 109.352 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . 0.521 ' CD2' HG12 ' A' ' 54' ' ' VAL . 56.8 t80 -121.08 141.42 50.8 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.499 1.125 . . . . 0.0 111.017 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' THR . . . . . 0.4 ' O ' ' C ' ' A' ' 18' ' ' ALA . 20.6 m -122.31 114.98 21.53 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.539 1.149 . . . . 0.0 110.366 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . 0.4 ' C ' ' O ' ' A' ' 17' ' ' THR . . . . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.527 1.142 . . . . 0.0 109.288 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 15.9 mt-10 . . . . . 0 N--CA 1.452 -0.325 0 N-CA-C 110.334 -0.247 . . . . 0.0 110.334 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.455 HD11 ' CA ' ' A' ' 51' ' ' ALA . 5.5 tp -111.29 138.93 47.14 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.439 1.087 . . . . 0.0 109.299 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 11.1 m -97.56 123.32 41.39 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.481 1.113 . . . . 0.0 110.015 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.45 ' CG1' HD22 ' A' ' 32' ' ' LEU . 27.5 m -132.85 172.24 16.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.507 1.129 . . . . 0.0 109.294 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 4.6 mt -119.87 179.09 4.36 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.493 1.121 . . . . 0.0 109.285 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . 0.43 ' O ' ' CB ' ' A' ' 29' ' ' ASP . 13.3 tttm -82.67 141.81 32.18 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.464 1.102 . . . . 0.0 109.302 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . 0.448 ' HA ' ' CE ' ' A' ' 11' ' ' LYS . 2.2 m-20 77.0 9.21 2.8 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.505 1.128 . . . . 0.0 109.355 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 4.2 mt-10 -96.84 149.36 21.94 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.487 1.117 . . . . 0.0 110.31 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 75.8 t -122.49 127.86 75.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.544 1.153 . . . . 0.0 109.27 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.45 HD22 ' CG1' ' A' ' 26' ' ' VAL . 2.7 mm? -110.71 177.53 4.65 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.422 1.076 . . . . 0.0 109.321 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . 0.47 ' HG3' ' CE1' ' A' ' 9' ' ' TYR . 2.7 tt0 -102.9 114.8 29.38 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.465 1.103 . . . . 0.0 110.288 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 10.1 p -80.33 129.66 37.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.472 1.107 . . . . 0.0 109.289 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -116.56 -44.91 2.83 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.538 1.149 . . . . 0.0 109.288 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -119.58 124.93 47.58 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.478 1.111 . . . . 0.0 110.34 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 1.7 p-10 -136.62 177.08 8.13 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.53 1.144 . . . . 0.0 109.281 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 77.62 16.01 80.68 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.549 1.156 . . . . 0.0 111.001 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -128.0 166.06 19.09 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.488 0.758 . . . . 0.0 110.271 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -38.82 -67.77 0.19 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.518 1.136 . . . . 0.0 110.299 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' TRP . . . . . 0.534 ' CZ3' ' HD3' ' A' ' 55' ' ' PRO . 11.2 m0 -111.02 138.64 47.18 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.491 1.119 . . . . 0.0 107.999 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 46.6 m0 -83.41 158.95 21.91 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.522 1.139 . . . . 0.0 107.97 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . 0.566 ' HB2' ' CE1' ' A' ' 53' ' ' TYR . 2.9 tttt -116.71 99.96 7.49 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.457 1.098 . . . . 0.0 109.321 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.499 ' CD2' ' CG2' ' A' ' 54' ' ' VAL . 0.2 OUTLIER -98.28 166.2 11.5 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.519 1.137 . . . . 0.0 109.257 -179.956 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . 0.443 ' CG ' ' O ' ' A' ' 50' ' ' GLN . 24.5 ttp180 -134.32 126.63 30.11 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.552 1.158 . . . . 0.0 110.269 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 9.6 p -75.0 169.82 17.24 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.522 1.139 . . . . 0.0 110.001 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.89 -4.82 37.29 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.529 1.143 . . . . 0.0 110.306 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -92.91 15.64 14.41 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.528 1.142 . . . . 0.0 110.042 179.946 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 71.23 13.94 73.71 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.475 1.109 . . . . 0.0 110.997 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . 0.443 ' O ' ' CG ' ' A' ' 45' ' ' ARG . 84.8 mm-40 -91.02 151.6 20.98 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.488 0.757 . . . . 0.0 110.322 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . 0.455 ' CA ' HD11 ' A' ' 24' ' ' LEU . . . -141.92 130.58 22.74 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.533 1.146 . . . . 0.0 109.308 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . 0.427 ' CA ' ' HB2' ' A' ' 24' ' ' LEU . . . -150.04 168.1 30.07 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.506 1.129 . . . . 0.0 111.039 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' TYR . . . . . 0.566 ' CE1' ' HB2' ' A' ' 43' ' ' LYS . 46.5 m-85 -100.05 144.94 28.5 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.519 0.776 . . . . 0.0 111.045 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . 0.521 HG12 ' CD2' ' A' ' 16' ' ' PHE . 0.0 OUTLIER -147.78 165.1 19.52 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.51 1.131 . . . . 0.0 109.303 -179.952 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' PRO . . . . . 0.534 ' HD3' ' CZ3' ' A' ' 41' ' ' TRP . 18.2 Cg_endo -74.96 139.65 24.65 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.512 1.796 . . . . 0.0 111.047 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 31.2 p -77.02 -5.48 48.91 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.473 1.108 . . . . 0.0 108.318 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 2.6 m120 -64.19 -45.52 87.95 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.468 1.105 . . . . 0.0 109.289 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 10.3 pt -79.31 -26.17 12.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.54 1.15 . . . . 0.0 109.329 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 73.8 mt -67.94 156.02 38.17 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.473 1.108 . . . . 0.0 109.297 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.997 0 O-C-N 124.466 1.104 . . . . 0.0 111.007 179.996 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 1.2 tttt . . . . . 0 N--CA 1.452 -0.326 0 N-CA-C 109.33 -0.619 . . . . 0.0 109.33 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' TYR . . . . . 0.556 ' CE1' ' HG3' ' A' ' 33' ' ' GLU . 85.1 m-85 -137.49 161.64 35.84 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.526 1.142 . . . . 0.0 110.98 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 9.8 p -129.52 138.91 53.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.526 1.141 . . . . 0.0 109.265 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . 0.46 ' HG3' ' CG2' ' A' ' 31' ' ' VAL . 0.5 OUTLIER -103.35 113.11 26.34 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.466 1.104 . . . . 0.0 109.3 179.96 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . 0.408 ' CG2' ' O ' ' A' ' 14' ' ' TYR . 45.7 mm -58.42 121.14 5.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.508 1.13 . . . . 0.0 109.295 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 88.8 mt -84.83 -23.19 29.17 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.496 1.123 . . . . 0.0 109.297 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . 0.408 ' O ' ' CG2' ' A' ' 12' ' ' ILE . 81.2 m-85 -149.84 141.66 23.72 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.509 1.131 . . . . 0.0 110.998 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 2.3 p30 -62.27 138.67 58.47 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.486 1.116 . . . . 0.0 109.288 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . 0.562 ' CD2' HG12 ' A' ' 54' ' ' VAL . 90.6 t80 -132.51 143.77 49.98 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.446 1.091 . . . . 0.0 111.038 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 18.8 m -113.63 111.16 21.39 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.466 1.104 . . . . 0.0 110.406 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.464 1.102 . . . . 0.0 109.326 179.976 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 . . . . . 0 N--CA 1.453 -0.321 0 N-CA-C 110.305 -0.257 . . . . 0.0 110.305 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.47 ' HB2' ' CA ' ' A' ' 52' ' ' GLY . 4.9 tp -115.87 140.63 49.04 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.499 1.124 . . . . 0.0 109.282 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -98.8 124.02 43.42 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.545 1.153 . . . . 0.0 110.041 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.447 ' CG1' HD22 ' A' ' 32' ' ' LEU . 15.8 m -137.53 171.88 15.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.523 1.139 . . . . 0.0 109.309 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 6.3 mt -120.88 179.18 4.44 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.516 1.135 . . . . 0.0 109.319 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . 0.466 ' O ' ' CB ' ' A' ' 29' ' ' ASP . 7.4 tttt -82.49 144.13 30.64 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.561 1.163 . . . . 0.0 109.261 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . 0.466 ' CB ' ' O ' ' A' ' 28' ' ' LYS . 2.5 m-20 79.0 3.79 2.39 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.538 1.149 . . . . 0.0 109.298 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -93.9 153.13 18.4 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.466 1.104 . . . . 0.0 110.309 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.46 ' CG2' ' HG3' ' A' ' 11' ' ' LYS . 56.5 t -126.01 128.43 71.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.548 1.155 . . . . 0.0 109.285 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.447 HD22 ' CG1' ' A' ' 26' ' ' VAL . 2.9 mm? -112.53 175.93 5.23 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.504 1.127 . . . . 0.0 109.289 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . 0.556 ' HG3' ' CE1' ' A' ' 9' ' ' TYR . 2.8 tt0 -103.17 110.76 22.83 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.516 1.135 . . . . 0.0 110.317 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . 0.451 ' HA ' ' CD1' ' A' ' 44' ' ' LEU . 6.5 p -75.96 131.2 35.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.534 1.146 . . . . 0.0 109.299 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 1.6 mt -113.86 -43.32 3.28 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.498 1.124 . . . . 0.0 109.302 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -123.93 128.5 49.52 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.464 1.103 . . . . 0.0 110.293 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 1.6 p-10 -137.61 172.09 13.48 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.519 1.137 . . . . 0.0 109.309 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 91.39 11.67 60.68 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.504 1.128 . . . . 0.0 111.04 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . 0.401 ' O ' ' C ' ' A' ' 40' ' ' GLN . 22.4 ttp85 -127.93 163.78 23.73 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.486 0.756 . . . . 0.0 110.289 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . 0.401 ' C ' ' O ' ' A' ' 39' ' ' ARG . 4.2 mt-30 -38.85 -62.11 0.66 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.535 1.147 . . . . 0.0 110.282 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' TRP . . . . . 0.557 ' CZ3' ' HD3' ' A' ' 55' ' ' PRO . 11.2 m0 -112.71 135.54 53.33 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.525 1.141 . . . . 0.0 107.973 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' TRP . . . . . 0.557 ' CE3' HD13 ' A' ' 59' ' ' LEU . 36.1 m0 -84.99 162.85 19.21 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 108.002 -1.11 . . . . 0.0 108.002 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . 0.401 ' HB2' ' CE1' ' A' ' 53' ' ' TYR . 24.0 tttt -113.93 100.04 8.12 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.539 1.149 . . . . 0.0 109.304 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.531 ' N ' ' CD2' ' A' ' 44' ' ' LEU . 0.5 OUTLIER -96.68 166.82 11.48 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.537 1.148 . . . . 0.0 109.305 -179.983 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . 0.499 ' CG ' ' O ' ' A' ' 50' ' ' GLN . 14.9 ttp180 -135.02 130.88 36.39 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.505 1.128 . . . . 0.0 110.291 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 55.4 p -75.02 169.73 17.42 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.498 1.124 . . . . 0.0 110.021 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.44 -5.84 39.45 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.501 1.126 . . . . 0.0 110.318 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 3.9 m -91.04 -2.59 57.63 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.507 1.129 . . . . 0.0 109.993 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 95.16 -7.76 69.55 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.486 1.116 . . . . 0.0 111.0 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . 0.499 ' O ' ' CG ' ' A' ' 45' ' ' ARG . 0.6 OUTLIER -69.38 154.15 42.47 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.539 0.788 . . . . 0.0 110.338 179.989 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -143.83 129.96 19.67 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.455 1.097 . . . . 0.0 109.36 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . 0.47 ' CA ' ' HB2' ' A' ' 24' ' ' LEU . . . -150.0 161.3 28.84 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.483 1.115 . . . . 0.0 110.982 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' TYR . . . . . 0.401 ' CE1' ' HB2' ' A' ' 43' ' ' LYS . 54.4 m-85 -89.23 152.11 21.77 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.511 0.771 . . . . 0.0 111.026 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . 0.562 HG12 ' CD2' ' A' ' 16' ' ' PHE . 0.0 OUTLIER -151.38 162.39 26.9 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.523 1.139 . . . . 0.0 109.295 -179.983 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' PRO . . . . . 0.557 ' HD3' ' CZ3' ' A' ' 41' ' ' TRP . 18.2 Cg_endo -75.05 143.88 29.41 Favored 'Trans proline' 0 C--N 1.361 1.202 0 O-C-N 124.49 1.784 . . . . 0.0 110.992 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 26.3 p -81.95 1.2 36.47 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.5 1.125 . . . . 0.0 108.301 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 27.3 t-20 -71.77 -21.65 61.7 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.467 1.104 . . . . 0.0 109.278 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 8.0 pt -108.09 -15.54 9.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.441 1.088 . . . . 0.0 109.321 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . 0.557 HD13 ' CE3' ' A' ' 42' ' ' TRP . 94.6 mt -71.22 154.44 41.67 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.516 1.135 . . . . 0.0 109.314 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.026 0 O-C-N 124.514 1.134 . . . . 0.0 111.009 -179.997 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.287 0 N-CA-C 109.282 -0.636 . . . . 0.0 109.282 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 81.2 m-85 -144.31 171.69 13.97 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.494 1.121 . . . . 0.0 111.003 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 4.7 p -131.45 134.98 60.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.521 1.138 . . . . 0.0 109.29 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -98.82 125.98 44.35 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.504 1.128 . . . . 0.0 109.296 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . 0.444 ' CG2' ' O ' ' A' ' 14' ' ' TYR . 47.2 mm -71.72 118.54 16.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.503 1.127 . . . . 0.0 109.349 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 72.0 mt -83.2 -21.6 33.41 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.424 1.078 . . . . 0.0 109.316 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . 0.444 ' O ' ' CG2' ' A' ' 12' ' ' ILE . 84.0 m-85 -149.44 140.13 22.64 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.442 1.089 . . . . 0.0 110.977 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 2.5 p-10 -66.0 135.49 54.76 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.508 1.13 . . . . 0.0 109.299 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . 0.509 ' CD2' HG11 ' A' ' 54' ' ' VAL . 62.3 t80 -126.71 145.42 50.6 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.509 1.13 . . . . 0.0 111.02 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 18.7 m -113.87 99.92 8.04 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.491 1.119 . . . . 0.0 110.376 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.448 0 O-C-N 124.448 1.092 . . . . 0.0 109.307 179.975 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 63.7 mt-10 . . . . . 0 N--CA 1.453 -0.288 0 N-CA-C 110.312 -0.255 . . . . 0.0 110.312 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.47 ' HB2' ' CA ' ' A' ' 52' ' ' GLY . 4.6 tp -116.47 139.84 50.01 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.497 1.123 . . . . 0.0 109.275 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -96.33 122.2 38.95 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.538 1.149 . . . . 0.0 110.033 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.425 ' CG1' HD22 ' A' ' 32' ' ' LEU . 16.9 m -133.04 171.76 17.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 O-C-N 124.526 1.141 . . . . 0.0 109.304 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.435 ' O ' ' CG2' ' A' ' 12' ' ' ILE . 12.5 mt -118.11 179.07 4.2 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.539 1.149 . . . . 0.0 109.295 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . 0.497 ' O ' ' CB ' ' A' ' 29' ' ' ASP . 0.4 OUTLIER -82.79 140.41 33.0 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.493 1.12 . . . . 0.0 109.309 179.971 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . 0.497 ' CB ' ' O ' ' A' ' 28' ' ' LYS . 2.1 t70 81.87 -3.67 1.54 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.504 1.127 . . . . 0.0 109.272 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 7.2 mt-10 -82.59 149.79 27.25 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.5 1.125 . . . . 0.0 110.3 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 89.1 t -123.17 125.56 72.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.5 1.125 . . . . 0.0 109.32 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.425 HD22 ' CG1' ' A' ' 26' ' ' VAL . 3.0 mm? -109.93 177.73 4.63 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.46 1.1 . . . . 0.0 109.289 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . 0.421 ' HG2' ' CD2' ' A' ' 35' ' ' LEU . 5.3 tt0 -104.89 121.68 44.21 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.462 1.101 . . . . 0.0 110.339 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 10.0 p -78.85 132.45 32.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.511 1.132 . . . . 0.0 109.266 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.421 ' CD2' ' HG2' ' A' ' 33' ' ' GLU . 0.3 OUTLIER -119.86 -42.41 2.61 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.533 1.146 . . . . 0.0 109.305 179.994 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -129.1 124.04 33.76 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.52 1.137 . . . . 0.0 110.285 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -134.7 174.99 9.96 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.51 1.131 . . . . 0.0 109.28 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 89.12 9.98 66.81 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.51 1.131 . . . . 0.0 110.992 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . 0.401 ' O ' ' C ' ' A' ' 40' ' ' GLN . 0.0 OUTLIER -126.65 165.03 19.98 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.504 0.767 . . . . 0.0 110.264 -179.962 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . 0.401 ' C ' ' O ' ' A' ' 39' ' ' ARG . 0.1 OUTLIER -38.93 -68.85 0.14 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.443 1.089 . . . . 0.0 110.229 179.99 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' TRP . . . . . 0.451 ' CZ3' ' HD3' ' A' ' 55' ' ' PRO . 10.8 m0 -105.61 134.89 47.98 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 108.0 -1.111 . . . . 0.0 108.0 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' TRP . . . . . 0.463 ' CE3' HD12 ' A' ' 59' ' ' LEU . 34.0 m0 -84.06 157.21 21.87 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 107.994 -1.113 . . . . 0.0 107.994 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . 0.503 ' HB2' ' CE1' ' A' ' 53' ' ' TYR . 9.8 tttp -110.53 99.81 8.73 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.531 1.144 . . . . 0.0 109.315 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.55 ' N ' ' CD2' ' A' ' 44' ' ' LEU . 0.6 OUTLIER -97.19 167.02 11.29 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.495 1.122 . . . . 0.0 109.302 -179.998 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 10.2 ttp180 -132.23 132.01 42.67 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.531 1.145 . . . . 0.0 110.336 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' SER . . . . . 0.404 ' N ' HD23 ' A' ' 24' ' ' LEU . 84.5 p -83.73 167.05 17.52 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.477 1.11 . . . . 0.0 109.986 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 7.5 mmm180 -69.15 -8.52 46.26 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.47 1.106 . . . . 0.0 110.289 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 1.7 t -85.76 8.36 20.17 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.534 1.146 . . . . 0.0 109.997 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 74.77 13.54 82.19 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.503 1.127 . . . . 0.0 110.922 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 45.5 mm-40 -95.75 148.27 22.74 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.456 0.739 . . . . 0.0 110.334 179.938 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -134.77 129.67 34.97 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.485 1.116 . . . . 0.0 109.339 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . 0.47 ' CA ' ' HB2' ' A' ' 24' ' ' LEU . . . -150.12 161.03 28.78 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.456 1.097 . . . . 0.0 111.008 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' TYR . . . . . 0.503 ' CE1' ' HB2' ' A' ' 43' ' ' LYS . 49.4 m-85 -86.57 150.28 24.35 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.469 0.747 . . . . 0.0 110.986 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . 0.509 HG11 ' CD2' ' A' ' 16' ' ' PHE . 0.0 OUTLIER -152.1 163.5 23.37 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.527 1.142 . . . . 0.0 109.298 -179.968 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' PRO . . . . . 0.451 ' HD3' ' CZ3' ' A' ' 41' ' ' TRP . 18.3 Cg_endo -74.97 138.41 23.08 Favored 'Trans proline' 0 C--N 1.359 1.106 0 O-C-N 124.493 1.786 . . . . 0.0 110.99 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' CYS . . . . . 0.447 ' HA ' ' CD1' ' A' ' 59' ' ' LEU . 31.9 p -78.39 -2.63 39.25 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.469 1.105 . . . . 0.0 108.307 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -68.35 -39.79 81.73 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.538 1.148 . . . . 0.0 109.329 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 17.5 pt -85.04 -20.52 8.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.531 1.145 . . . . 0.0 109.331 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . 0.463 HD12 ' CE3' ' A' ' 42' ' ' TRP . 84.1 mt -64.46 164.91 10.69 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.464 1.103 . . . . 0.0 109.329 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.991 0 O-C-N 124.485 1.116 . . . . 0.0 111.019 -179.999 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.453 -0.295 0 N-CA-C 109.32 -0.622 . . . . 0.0 109.32 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' TYR . . . . . 0.506 ' CE2' ' HG3' ' A' ' 33' ' ' GLU . 56.8 m-85 -138.98 176.45 8.68 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.471 1.107 . . . . 0.0 110.973 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 8.8 p -136.15 142.54 38.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.501 1.126 . . . . 0.0 109.286 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 13.3 tttt -100.61 125.17 46.98 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.472 1.107 . . . . 0.0 109.25 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . 0.457 ' CG2' ' O ' ' A' ' 14' ' ' TYR . 14.5 mm -72.89 128.48 35.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.468 1.105 . . . . 0.0 109.276 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 54.7 mt -91.78 -28.95 17.04 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.496 1.123 . . . . 0.0 109.301 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . 0.457 ' O ' ' CG2' ' A' ' 12' ' ' ILE . 97.0 m-85 -133.28 142.59 48.58 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.545 1.153 . . . . 0.0 110.993 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -72.83 115.0 11.6 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.476 1.11 . . . . 0.0 109.281 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . 0.558 ' CE2' HG13 ' A' ' 54' ' ' VAL . 62.0 t80 -112.2 148.33 34.31 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.475 1.109 . . . . 0.0 111.014 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' THR . . . . . 0.4 ' O ' ' C ' ' A' ' 18' ' ' ALA . 16.4 m -123.95 115.25 20.94 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.478 1.111 . . . . 0.0 110.415 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . 0.4 ' C ' ' O ' ' A' ' 17' ' ' THR . . . . . . . . 0 C--N 1.325 -0.467 0 O-C-N 124.527 1.142 . . . . 0.0 109.301 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 19.9 mt-10 . . . . . 0 N--CA 1.453 -0.289 0 N-CA-C 110.289 -0.263 . . . . 0.0 110.289 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.421 HD11 ' N ' ' A' ' 52' ' ' GLY . 5.0 tp -117.59 142.59 47.03 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.54 1.15 . . . . 0.0 109.326 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 1.1 m -96.97 118.96 34.54 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.473 1.108 . . . . 0.0 110.031 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.467 ' CG1' HD21 ' A' ' 32' ' ' LEU . 23.2 m -133.93 147.95 30.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.522 1.139 . . . . 0.0 109.328 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 5.0 mp -94.83 178.87 5.43 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.467 1.104 . . . . 0.0 109.225 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . 0.438 ' O ' ' CB ' ' A' ' 29' ' ' ASP . 0.3 OUTLIER -82.22 137.88 34.79 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.518 1.136 . . . . 0.0 109.275 -179.989 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . 0.438 ' CB ' ' O ' ' A' ' 28' ' ' LYS . 5.7 t0 77.13 24.54 0.84 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.509 1.131 . . . . 0.0 109.33 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 11.0 mt-10 -106.6 152.15 24.11 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.515 1.134 . . . . 0.0 110.345 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 91.0 t -123.15 125.37 71.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.511 1.132 . . . . 0.0 109.269 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.467 HD21 ' CG1' ' A' ' 26' ' ' VAL . 2.8 mm? -112.26 175.82 5.28 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.481 1.113 . . . . 0.0 109.292 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . 0.506 ' HG3' ' CE2' ' A' ' 9' ' ' TYR . 3.0 tt0 -100.52 111.93 24.23 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.508 1.13 . . . . 0.0 110.272 -179.938 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . 0.402 ' HA ' ' CD1' ' A' ' 44' ' ' LEU . 13.1 p -73.36 130.44 35.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.491 1.119 . . . . 0.0 109.296 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 5.7 mt -112.78 -50.93 2.86 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.49 1.118 . . . . 0.0 109.288 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -115.34 124.7 51.94 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.508 1.13 . . . . 0.0 110.294 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 1.9 p-10 -129.99 176.23 8.23 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.478 1.111 . . . . 0.0 109.287 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 72.46 17.29 77.69 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.528 1.143 . . . . 0.0 111.023 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -127.27 164.5 21.6 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.509 0.77 . . . . 0.0 110.277 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 27.3 mt-30 -39.76 -68.72 0.16 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.482 1.114 . . . . 0.0 110.309 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' TRP . . . . . 0.572 ' CZ3' ' HD3' ' A' ' 55' ' ' PRO . 11.6 m0 -109.81 137.87 46.99 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 0.0 108.046 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' TRP . . . . . 0.555 ' CE3' HD13 ' A' ' 59' ' ' LEU . 45.9 m0 -82.84 156.0 23.86 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.523 1.14 . . . . 0.0 107.976 -179.934 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . 0.563 ' HB2' ' CE1' ' A' ' 53' ' ' TYR . 70.4 tttt -113.24 99.91 8.17 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.481 1.113 . . . . 0.0 109.286 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.52 ' CD2' ' CG2' ' A' ' 54' ' ' VAL . 0.4 OUTLIER -95.16 167.01 11.63 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.475 1.11 . . . . 0.0 109.261 -179.987 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 10.7 ttp180 -136.06 120.25 17.8 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.521 1.138 . . . . 0.0 110.265 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 6.8 p -69.32 153.22 43.95 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.516 1.135 . . . . 0.0 109.959 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -54.4 -22.52 12.67 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.541 1.151 . . . . 0.0 110.308 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -69.84 -12.05 61.33 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.478 1.111 . . . . 0.0 109.997 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 102.58 -15.21 56.09 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.563 1.164 . . . . 0.0 111.04 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 2.0 mm-40 -63.64 155.35 30.08 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.52 0.776 . . . . 0.0 110.312 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -142.68 130.78 21.92 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.456 1.098 . . . . 0.0 109.292 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . 0.421 ' N ' HD11 ' A' ' 24' ' ' LEU . . . -150.06 164.53 29.65 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.458 1.099 . . . . 0.0 111.035 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' TYR . . . . . 0.563 ' CE1' ' HB2' ' A' ' 43' ' ' LYS . 54.0 m-85 -96.59 148.7 22.57 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.513 0.772 . . . . 0.0 110.998 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . 0.558 HG13 ' CE2' ' A' ' 16' ' ' PHE . 0.0 OUTLIER -149.91 164.49 20.54 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.491 1.119 . . . . 0.0 109.255 -179.967 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' PRO . . . . . 0.572 ' HD3' ' CZ3' ' A' ' 41' ' ' TRP . 18.5 Cg_endo -74.97 142.32 27.82 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.513 1.796 . . . . 0.0 111.006 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 31.9 p -78.06 -3.42 42.15 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.491 1.119 . . . . 0.0 108.284 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -66.52 -43.43 85.23 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.558 1.161 . . . . 0.0 109.266 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 8.7 pt -81.24 -26.36 10.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.47 1.106 . . . . 0.0 109.309 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . 0.555 HD13 ' CE3' ' A' ' 42' ' ' TRP . 88.9 mt -65.92 159.43 25.63 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.464 1.103 . . . . 0.0 109.318 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.015 0 O-C-N 124.474 1.109 . . . . 0.0 111.017 -179.977 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . 0.449 ' HG2' ' CG1' ' A' ' 34' ' ' VAL . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.314 0 N-CA-C 109.352 -0.61 . . . . 0.0 109.352 . . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' TYR . . . . . 0.561 ' CE2' ' HG3' ' A' ' 33' ' ' GLU . 91.4 m-85 -135.95 162.47 32.75 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.495 1.122 . . . . 0.0 110.998 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 8.8 p -121.18 137.37 55.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.473 1.108 . . . . 0.0 109.305 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -103.58 103.88 13.87 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.527 1.142 . . . . 0.0 109.287 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 33.2 mm -46.61 149.37 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.551 1.157 . . . . 0.0 109.304 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 69.3 mt -113.38 -35.9 5.15 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.55 1.156 . . . . 0.0 109.267 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 85.0 m-85 -129.68 142.19 50.77 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.423 1.077 . . . . 0.0 111.034 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -72.08 109.42 5.86 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.558 1.161 . . . . 0.0 109.294 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . 0.558 ' CD2' HG13 ' A' ' 54' ' ' VAL . 46.4 t80 -103.27 147.93 26.46 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.474 1.109 . . . . 0.0 111.004 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' THR . . . . . 0.403 ' O ' ' C ' ' A' ' 18' ' ' ALA . 4.1 m -114.89 99.14 7.26 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.472 1.108 . . . . 0.0 110.393 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . 0.403 ' C ' ' O ' ' A' ' 17' ' ' THR . . . . . . . . 0 C--N 1.325 -0.457 0 O-C-N 124.47 1.106 . . . . 0.0 109.306 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 65.9 mt-10 . . . . . 0 N--CA 1.453 -0.311 0 N-CA-C 110.3 -0.259 . . . . 0.0 110.3 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.42 HD12 ' N ' ' A' ' 52' ' ' GLY . 5.5 tp -125.34 142.58 51.42 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.547 1.155 . . . . 0.0 109.3 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -95.84 120.58 36.36 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.488 1.118 . . . . 0.0 110.031 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 11.2 m -133.66 146.65 31.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.523 1.139 . . . . 0.0 109.288 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 5.8 mp -95.42 179.2 5.25 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.505 1.128 . . . . 0.0 109.308 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . 0.484 ' O ' ' CB ' ' A' ' 29' ' ' ASP . 0.0 OUTLIER -83.05 136.23 34.56 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.52 1.138 . . . . 0.0 109.277 -179.991 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . 0.484 ' CB ' ' O ' ' A' ' 28' ' ' LYS . 1.4 t70 80.83 21.69 0.4 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.461 1.1 . . . . 0.0 109.277 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 4.6 mt-10 -97.92 159.66 14.79 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.486 1.116 . . . . 0.0 110.303 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 69.2 t -131.31 117.94 38.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.544 1.152 . . . . 0.0 109.267 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.406 ' N ' HD23 ' A' ' 32' ' ' LEU . 3.2 mm? -108.46 172.47 6.82 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.504 1.127 . . . . 0.0 109.307 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . 0.561 ' HG3' ' CE2' ' A' ' 9' ' ' TYR . 3.1 tt0 -101.16 109.07 20.9 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.491 1.119 . . . . 0.0 110.331 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . 0.449 ' CG1' ' HG2' ' A' ' 8' ' ' LYS . 9.8 p -70.69 133.09 32.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.499 1.124 . . . . 0.0 109.317 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 1.7 mt -119.18 -46.61 2.51 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.511 1.132 . . . . 0.0 109.334 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -123.27 123.98 41.96 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.505 1.128 . . . . 0.0 110.254 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 2.2 p-10 -133.39 176.45 8.51 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.497 1.123 . . . . 0.0 109.275 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 82.21 14.81 75.95 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.489 1.118 . . . . 0.0 111.0 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 6.2 mtt85 -127.73 165.52 19.91 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.489 0.758 . . . . 0.0 110.309 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 62.2 mt-30 -39.35 -63.8 0.52 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.522 1.139 . . . . 0.0 110.327 179.936 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' TRP . . . . . 0.576 ' CZ3' ' HD3' ' A' ' 55' ' ' PRO . 11.6 m0 -113.05 138.14 50.35 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.465 1.103 . . . . 0.0 108.026 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' TRP . . . . . 0.572 ' CE3' HD11 ' A' ' 59' ' ' LEU . 42.1 m0 -84.49 156.19 21.82 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.495 1.122 . . . . 0.0 107.993 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . 0.568 ' HB2' ' CE1' ' A' ' 53' ' ' TYR . 5.8 tttt -112.46 99.91 8.35 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.51 1.131 . . . . 0.0 109.287 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.576 ' CD2' ' CG2' ' A' ' 54' ' ' VAL . 0.2 OUTLIER -98.87 164.95 12.0 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.509 1.131 . . . . 0.0 109.27 179.992 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 38.2 ttm180 -132.68 123.9 27.2 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.481 1.113 . . . . 0.0 110.294 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -74.46 166.33 23.7 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.52 1.138 . . . . 0.0 110.022 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.19 -8.83 53.08 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.513 1.133 . . . . 0.0 110.33 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 3.8 t -85.93 11.41 11.48 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.508 1.13 . . . . 0.0 110.036 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 73.06 13.19 79.44 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.479 1.112 . . . . 0.0 111.02 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 10.5 mm100 -94.32 146.41 24.05 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.49 0.759 . . . . 0.0 110.29 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -134.82 129.06 33.92 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.488 1.118 . . . . 0.0 109.295 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . 0.42 ' N ' HD12 ' A' ' 24' ' ' LEU . . . -150.16 164.21 29.63 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.492 1.12 . . . . 0.0 111.0 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' TYR . . . . . 0.568 ' CE1' ' HB2' ' A' ' 43' ' ' LYS . 50.7 m-85 -93.78 152.48 18.9 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.511 0.771 . . . . 0.0 111.024 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . 0.576 ' CG2' ' CD2' ' A' ' 44' ' ' LEU . 0.0 OUTLIER -151.89 163.01 25.0 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.516 1.135 . . . . 0.0 109.321 179.996 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' PRO . . . . . 0.576 ' HD3' ' CZ3' ' A' ' 41' ' ' TRP . 18.2 Cg_endo -75.04 145.64 31.54 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.425 1.75 . . . . 0.0 110.935 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 17.3 p -82.57 -1.13 49.82 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.504 1.128 . . . . 0.0 108.335 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -70.39 -24.1 62.89 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.495 1.122 . . . . 0.0 109.266 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 8.0 pt -104.4 -20.88 5.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.484 1.115 . . . . 0.0 109.314 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . 0.572 HD11 ' CE3' ' A' ' 42' ' ' TRP . 73.2 mt -74.43 159.91 31.68 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.461 1.1 . . . . 0.0 109.28 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.022 0 O-C-N 124.467 1.104 . . . . 0.0 110.988 179.957 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 2.2 mmtp . . . . . 0 N--CA 1.453 -0.31 0 N-CA-C 109.282 -0.636 . . . . 0.0 109.282 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 67.6 m-85 -133.02 175.97 8.9 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.46 1.1 . . . . 0.0 110.96 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . 0.421 ' CG2' ' HB3' ' A' ' 59' ' ' LEU . 4.1 p -139.28 132.98 38.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.555 1.159 . . . . 0.0 109.277 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 10.4 tttt -97.1 116.39 29.23 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.47 1.107 . . . . 0.0 109.291 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . 0.448 ' CG2' ' O ' ' A' ' 14' ' ' TYR . 39.1 mm -63.34 128.1 24.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.495 1.122 . . . . 0.0 109.31 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 86.5 mt -91.33 -29.24 17.24 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.544 1.152 . . . . 0.0 109.306 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . 0.448 ' O ' ' CG2' ' A' ' 12' ' ' ILE . 82.1 m-85 -137.43 144.76 42.52 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.438 1.086 . . . . 0.0 110.969 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . 0.415 ' CB ' HD23 ' A' ' 27' ' ' LEU . 0.8 OUTLIER -71.54 123.1 21.71 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.431 1.082 . . . . 0.0 109.317 179.966 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . 0.519 ' CD2' HG12 ' A' ' 54' ' ' VAL . 67.3 t80 -118.47 137.57 53.09 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.416 1.073 . . . . 0.0 111.032 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 57.9 m -104.69 103.85 13.56 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.527 1.142 . . . . 0.0 110.397 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.569 1.168 . . . . 0.0 109.318 -179.984 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 53.5 mt-10 . . . . . 0 N--CA 1.452 -0.328 0 N-CA-C 110.295 -0.261 . . . . 0.0 110.295 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.443 ' HB2' ' CA ' ' A' ' 52' ' ' GLY . 5.4 tp -108.87 137.66 46.45 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.5 1.125 . . . . 0.0 109.35 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 8.4 p -92.12 120.58 32.87 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.495 1.122 . . . . 0.0 110.015 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 35.7 m -132.99 167.74 25.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.517 1.136 . . . . 0.0 109.327 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.415 HD23 ' CB ' ' A' ' 15' ' ' ASP . 17.8 mt -121.61 179.06 4.58 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.537 1.148 . . . . 0.0 109.303 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . 0.46 ' O ' ' CB ' ' A' ' 29' ' ' ASP . 12.5 tttt -81.91 138.24 35.04 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.477 1.111 . . . . 0.0 109.306 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . 0.46 ' CB ' ' O ' ' A' ' 28' ' ' LYS . 3.7 m-20 78.86 23.76 0.57 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.527 1.142 . . . . 0.0 109.261 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 8.3 mt-10 -106.31 161.38 14.61 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.467 1.105 . . . . 0.0 110.309 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 80.1 t -133.45 118.17 30.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.507 1.129 . . . . 0.0 109.308 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -105.71 178.82 4.45 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.467 1.105 . . . . 0.0 109.301 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . 0.461 ' HG2' ' CD2' ' A' ' 35' ' ' LEU . 8.1 tt0 -107.49 120.25 41.66 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.539 1.149 . . . . 0.0 110.267 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . 0.438 ' HA ' ' CD1' ' A' ' 44' ' ' LEU . 9.8 p -77.17 132.87 31.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.444 1.09 . . . . 0.0 109.277 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.461 ' CD2' ' HG2' ' A' ' 33' ' ' GLU . 3.5 mt -118.18 -46.85 2.59 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.499 1.124 . . . . 0.0 109.273 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -125.48 124.88 42.35 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.536 1.147 . . . . 0.0 110.315 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 1.7 p-10 -134.31 173.18 11.9 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.533 1.146 . . . . 0.0 109.274 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 96.93 -13.25 65.25 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.463 1.102 . . . . 0.0 111.038 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -107.8 165.87 11.12 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.575 0.809 . . . . 0.0 110.286 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -39.02 -80.74 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.498 1.124 . . . . 0.0 110.297 -179.935 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' TRP . . . . . 0.572 ' CZ3' ' HD3' ' A' ' 55' ' ' PRO . 11.4 m0 -89.99 138.54 31.42 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.491 1.119 . . . . 0.0 108.021 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' TRP . . . . . 0.421 ' CE3' HD12 ' A' ' 59' ' ' LEU . 25.5 m0 -91.51 156.7 17.5 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.493 1.121 . . . . 0.0 107.993 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . 0.509 ' HB2' ' CE1' ' A' ' 53' ' ' TYR . 25.9 tttt -110.3 99.87 8.84 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.492 1.12 . . . . 0.0 109.337 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.526 ' N ' ' CD2' ' A' ' 44' ' ' LEU . 0.6 OUTLIER -95.0 166.84 11.74 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.493 1.12 . . . . 0.0 109.283 -179.954 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . 0.486 ' CG ' ' O ' ' A' ' 50' ' ' GLN . 21.9 ttp180 -133.23 132.64 41.73 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.489 1.118 . . . . 0.0 110.28 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 20.7 p -84.4 168.16 15.81 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.486 1.116 . . . . 0.0 110.009 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.55 -7.24 36.68 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.436 1.085 . . . . 0.0 110.291 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -86.8 8.48 22.6 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.444 1.09 . . . . 0.0 110.03 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 74.61 14.55 81.11 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.496 1.123 . . . . 0.0 111.006 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . 0.486 ' O ' ' CG ' ' A' ' 45' ' ' ARG . 0.7 OUTLIER -94.75 154.91 17.07 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.483 0.755 . . . . 0.0 110.298 179.989 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -141.05 131.1 24.63 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.445 1.09 . . . . 0.0 109.297 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . 0.443 ' CA ' ' HB2' ' A' ' 24' ' ' LEU . . . -149.91 165.11 29.69 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.458 1.099 . . . . 0.0 111.026 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' TYR . . . . . 0.509 ' CE1' ' HB2' ' A' ' 43' ' ' LYS . 62.3 m-85 -94.52 149.37 21.31 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.469 0.746 . . . . 0.0 111.011 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . 0.519 HG12 ' CD2' ' A' ' 16' ' ' PHE . 0.0 OUTLIER -150.44 163.31 24.65 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.462 1.101 . . . . 0.0 109.324 179.981 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' PRO . . . . . 0.572 ' HD3' ' CZ3' ' A' ' 41' ' ' TRP . 18.2 Cg_endo -75.02 143.53 29.1 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.522 1.801 . . . . 0.0 110.993 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 25.9 p -83.37 3.34 32.16 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.531 1.144 . . . . 0.0 108.338 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -78.67 -24.5 45.07 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.518 1.136 . . . . 0.0 109.28 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . 0.414 ' CD1' ' HB2' ' A' ' 16' ' ' PHE . 32.0 pt -100.38 -19.92 5.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.434 1.084 . . . . 0.0 109.255 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . 0.421 ' HB3' ' CG2' ' A' ' 10' ' ' VAL . 96.8 mt -66.85 172.14 4.67 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.531 1.145 . . . . 0.0 109.333 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.0 0 O-C-N 124.529 1.143 . . . . 0.0 111.016 179.976 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.294 0 N-CA-C 109.344 -0.613 . . . . 0.0 109.344 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 55.0 m-85 -139.83 171.14 14.65 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.52 1.137 . . . . 0.0 111.001 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 9.7 p -136.24 139.42 45.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.44 1.088 . . . . 0.0 109.346 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 3.0 tttt -110.1 111.22 22.44 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.51 1.131 . . . . 0.0 109.341 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 28.3 mm -52.54 145.14 2.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.462 1.101 . . . . 0.0 109.303 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 71.1 mt -109.16 -31.64 7.51 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.511 1.132 . . . . 0.0 109.282 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 89.8 m-85 -132.23 143.79 50.18 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.502 1.126 . . . . 0.0 110.963 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 3.3 p30 -71.89 117.64 13.74 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.468 1.105 . . . . 0.0 109.286 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 76.6 t80 -116.99 155.71 28.71 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.509 1.131 . . . . 0.0 111.014 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 23.2 m -123.04 110.34 15.22 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.533 1.146 . . . . 0.0 110.453 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.504 0 O-C-N 124.469 1.106 . . . . 0.0 109.266 -179.948 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 29.8 mt-10 . . . . . 0 N--CA 1.453 -0.302 0 N-CA-C 110.303 -0.258 . . . . 0.0 110.303 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.454 ' HB2' ' CA ' ' A' ' 52' ' ' GLY . 5.1 tp -105.52 138.51 41.59 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.53 1.144 . . . . 0.0 109.289 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 3.1 p -92.57 116.71 29.24 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.532 1.145 . . . . 0.0 109.988 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 35.9 m -125.0 173.82 10.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.509 1.13 . . . . 0.0 109.306 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 12.7 mt -127.93 179.14 5.72 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.493 1.121 . . . . 0.0 109.343 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . 0.44 ' HG2' ' N ' ' A' ' 29' ' ' ASP . 7.2 tttt -78.69 149.49 32.78 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.482 1.113 . . . . 0.0 109.296 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . 0.44 ' N ' ' HG2' ' A' ' 28' ' ' LYS . 1.1 m-20 60.23 39.52 19.06 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.506 1.129 . . . . 0.0 109.323 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 23.8 mt-10 -116.46 160.23 20.89 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.473 1.108 . . . . 0.0 110.291 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 89.7 t -130.13 120.49 49.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.497 1.123 . . . . 0.0 109.322 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -110.75 174.64 5.77 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.457 1.098 . . . . 0.0 109.288 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . 0.451 ' HG2' ' CD2' ' A' ' 35' ' ' LEU . 8.1 tt0 -105.03 108.47 20.01 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.544 1.153 . . . . 0.0 110.317 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 13.3 p -72.86 128.26 35.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.52 1.137 . . . . 0.0 109.279 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.451 ' CD2' ' HG2' ' A' ' 33' ' ' GLU . 0.3 OUTLIER -110.83 -43.61 3.77 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.485 1.115 . . . . 0.0 109.29 179.97 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 4.4 mt-10 -129.47 128.66 43.35 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.508 1.13 . . . . 0.0 110.274 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 2.1 p-10 -137.72 171.99 13.62 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.5 1.125 . . . . 0.0 109.243 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 97.81 -4.58 61.39 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.491 1.12 . . . . 0.0 111.005 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -110.73 163.44 13.76 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.532 0.784 . . . . 0.0 110.312 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 4.0 pt20 -42.09 -53.17 4.05 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.521 1.138 . . . . 0.0 110.335 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' TRP . . . . . 0.509 ' CE3' ' C ' ' A' ' 54' ' ' VAL . 14.1 m95 -115.55 135.44 54.08 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.559 1.162 . . . . 0.0 107.973 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' TRP . . . . . 0.561 ' CE3' HD13 ' A' ' 59' ' ' LEU . 41.8 m0 -88.05 162.14 16.96 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.514 1.134 . . . . 0.0 108.008 179.949 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . 0.484 ' HB2' ' CE1' ' A' ' 53' ' ' TYR . 32.2 tttt -116.9 99.93 7.42 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.528 1.143 . . . . 0.0 109.278 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.544 ' CD2' ' CG2' ' A' ' 54' ' ' VAL . 0.1 OUTLIER -99.33 166.7 11.07 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.499 1.124 . . . . 0.0 109.274 179.992 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 17.8 ttp180 -135.38 125.73 26.54 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.558 1.161 . . . . 0.0 110.285 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 36.6 p -76.22 167.48 21.78 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.503 1.127 . . . . 0.0 110.023 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.37 -9.09 51.87 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.539 1.15 . . . . 0.0 110.288 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -84.49 7.98 18.03 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.538 1.149 . . . . 0.0 110.044 179.929 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 75.06 12.46 83.39 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.462 1.102 . . . . 0.0 110.977 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 6.0 mt-30 -93.05 149.18 21.4 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.54 0.788 . . . . 0.0 110.29 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -135.35 130.28 34.73 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.49 1.119 . . . . 0.0 109.315 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . 0.454 ' CA ' ' HB2' ' A' ' 24' ' ' LEU . . . -150.31 163.87 29.61 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.493 1.121 . . . . 0.0 111.014 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' TYR . . . . . 0.484 ' CE1' ' HB2' ' A' ' 43' ' ' LYS . 49.2 m-85 -94.82 149.16 21.54 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.488 0.758 . . . . 0.0 110.964 -179.943 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . 0.544 ' CG2' ' CD2' ' A' ' 44' ' ' LEU . 0.0 OUTLIER -150.49 164.62 19.81 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.519 1.137 . . . . 0.0 109.251 -179.988 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' PRO . . . . . 0.476 ' HD3' ' CZ3' ' A' ' 41' ' ' TRP . 18.0 Cg_endo -75.08 146.96 33.0 Favored 'Trans proline' 0 C--N 1.361 1.202 0 O-C-N 124.468 1.773 . . . . 0.0 110.982 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 20.8 p -85.25 -1.89 57.44 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.502 1.127 . . . . 0.0 108.282 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 1.6 m-20 -71.67 -22.0 61.73 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.486 1.116 . . . . 0.0 109.28 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 17.2 pt -104.22 -22.02 5.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.504 1.128 . . . . 0.0 109.285 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . 0.561 HD13 ' CE3' ' A' ' 42' ' ' TRP . 87.9 mt -66.03 168.36 8.42 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.493 1.121 . . . . 0.0 109.318 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.985 0 O-C-N 124.501 1.126 . . . . 0.0 110.982 -179.968 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.452 -0.337 0 N-CA-C 109.277 -0.638 . . . . 0.0 109.277 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 99.1 m-85 -143.58 172.92 12.13 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.483 1.115 . . . . 0.0 110.961 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 8.1 p -132.17 142.96 41.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.452 1.095 . . . . 0.0 109.277 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -104.9 123.16 47.25 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.551 1.157 . . . . 0.0 109.242 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . 0.483 ' CG2' ' O ' ' A' ' 14' ' ' TYR . 13.5 mm -74.66 114.24 14.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.491 1.119 . . . . 0.0 109.268 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 40.4 mt -81.19 -28.64 34.85 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.481 1.113 . . . . 0.0 109.345 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . 0.483 ' O ' ' CG2' ' A' ' 12' ' ' ILE . 92.8 m-85 -131.82 143.24 50.05 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.514 1.134 . . . . 0.0 111.016 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -73.96 110.9 8.62 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.514 1.134 . . . . 0.0 109.287 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . 0.56 ' CD2' HG11 ' A' ' 54' ' ' VAL . 80.6 t80 -101.79 146.45 27.77 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.536 1.148 . . . . 0.0 110.974 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 54.2 m -121.04 117.38 27.09 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.471 1.107 . . . . 0.0 110.381 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.492 1.12 . . . . 0.0 109.286 -179.969 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 38.0 mt-10 . . . . . 0 N--CA 1.453 -0.294 0 N-CA-C 110.291 -0.263 . . . . 0.0 110.291 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.448 HD11 ' CA ' ' A' ' 51' ' ' ALA . 6.3 tp -105.79 148.42 27.53 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.512 1.132 . . . . 0.0 109.315 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 14.1 p -102.1 123.04 45.27 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.505 1.128 . . . . 0.0 110.021 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.406 ' CG2' HG23 ' A' ' 12' ' ' ILE . 29.0 m -135.8 161.23 38.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.494 1.121 . . . . 0.0 109.307 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 2.1 mm? -109.04 178.67 4.39 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.478 1.112 . . . . 0.0 109.287 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . 0.415 ' O ' ' CB ' ' A' ' 29' ' ' ASP . 1.2 tttt -83.45 138.87 33.27 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.49 1.119 . . . . 0.0 109.343 179.937 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . 0.415 ' CB ' ' O ' ' A' ' 28' ' ' LYS . 0.8 OUTLIER 77.02 21.82 1.09 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.521 1.138 . . . . 0.0 109.29 179.994 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 14.4 mt-10 -103.65 155.41 18.58 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.51 1.131 . . . . 0.0 110.25 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 68.9 t -126.03 111.46 26.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.461 1.101 . . . . 0.0 109.304 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.406 ' N ' HD21 ' A' ' 32' ' ' LEU . 3.0 mm? -100.72 171.38 7.73 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.509 1.13 . . . . 0.0 109.286 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 3.0 tt0 -96.42 114.04 25.68 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.124 . . . . 0.0 110.295 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . 0.424 ' HA ' ' CD1' ' A' ' 44' ' ' LEU . 12.5 p -74.5 133.35 31.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.48 1.112 . . . . 0.0 109.286 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 13.5 mt -115.69 -50.21 2.71 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.556 1.16 . . . . 0.0 109.313 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -117.62 125.45 50.78 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.525 1.141 . . . . 0.0 110.315 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 1.9 p-10 -132.87 174.73 10.02 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.501 1.126 . . . . 0.0 109.28 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 75.27 14.99 81.42 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.504 1.127 . . . . 0.0 110.971 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . 0.402 ' O ' ' C ' ' A' ' 40' ' ' GLN . 3.6 mtt180 -128.02 166.14 18.95 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.519 0.776 . . . . 0.0 110.301 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . 0.402 ' C ' ' O ' ' A' ' 39' ' ' ARG . 16.2 mt-30 -38.59 -69.66 0.12 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.501 1.126 . . . . 0.0 110.284 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' TRP . . . . . 0.586 ' CZ3' ' HD3' ' A' ' 55' ' ' PRO . 12.2 m0 -110.78 136.54 49.68 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 107.954 -1.128 . . . . 0.0 107.954 -179.95 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' TRP . . . . . 0.573 ' CE3' HD12 ' A' ' 59' ' ' LEU . 40.9 m0 -83.42 157.13 22.59 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.486 1.116 . . . . 0.0 107.99 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . 0.569 ' HB2' ' CE1' ' A' ' 53' ' ' TYR . 60.2 tttt -111.55 99.78 8.46 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.547 1.154 . . . . 0.0 109.283 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.567 ' CD2' ' CG2' ' A' ' 54' ' ' VAL . 0.4 OUTLIER -94.2 167.03 11.82 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.47 1.106 . . . . 0.0 109.27 179.984 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . 0.44 ' CG ' ' O ' ' A' ' 50' ' ' GLN . 29.6 ttm-85 -145.71 133.16 20.75 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.484 1.115 . . . . 0.0 110.35 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 13.8 t -91.29 170.44 9.99 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.465 1.103 . . . . 0.0 110.016 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.54 -10.28 57.47 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.462 1.101 . . . . 0.0 110.329 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -79.97 1.91 25.61 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.502 1.126 . . . . 0.0 110.029 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 77.7 17.46 78.8 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.493 1.121 . . . . 0.0 111.011 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . 0.44 ' O ' ' CG ' ' A' ' 45' ' ' ARG . 35.8 mm-40 -94.95 145.97 24.56 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.501 0.766 . . . . 0.0 110.317 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . 0.448 ' CA ' HD11 ' A' ' 24' ' ' LEU . . . -140.52 129.01 22.71 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.505 1.128 . . . . 0.0 109.287 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . 0.441 ' CA ' ' HB2' ' A' ' 24' ' ' LEU . . . -150.29 168.2 30.22 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.498 1.124 . . . . 0.0 111.019 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' TYR . . . . . 0.569 ' CE1' ' HB2' ' A' ' 43' ' ' LYS . 53.9 m-85 -102.13 139.05 38.27 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.463 0.743 . . . . 0.0 111.034 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . 0.569 ' C ' ' CE3' ' A' ' 41' ' ' TRP . 0.0 OUTLIER -137.58 164.86 38.4 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.464 1.103 . . . . 0.0 109.305 179.984 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' PRO . . . . . 0.586 ' HD3' ' CZ3' ' A' ' 41' ' ' TRP . 18.3 Cg_endo -75.0 147.58 34.1 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.479 1.779 . . . . 0.0 111.002 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 26.5 p -85.86 6.02 30.15 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.532 1.145 . . . . 0.0 108.278 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -77.87 -26.18 49.11 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.514 1.134 . . . . 0.0 109.312 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . 0.465 ' CD1' ' HB2' ' A' ' 16' ' ' PHE . 15.3 pt -102.54 -22.26 4.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.465 1.103 . . . . 0.0 109.325 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . 0.573 HD12 ' CE3' ' A' ' 42' ' ' TRP . 78.3 mt -65.27 163.29 15.64 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.526 1.141 . . . . 0.0 109.327 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.976 0 O-C-N 124.504 1.127 . . . . 0.0 111.005 -179.972 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 3.9 ttpt . . . . . 0 N--CA 1.452 -0.328 0 N-CA-C 109.325 -0.62 . . . . 0.0 109.325 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 95.5 m-85 -145.9 168.25 21.28 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.453 1.096 . . . . 0.0 110.976 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 6.0 p -137.63 140.68 40.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.527 1.142 . . . . 0.0 109.35 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -99.47 123.82 44.07 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.469 1.106 . . . . 0.0 109.285 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . 0.502 ' CG2' ' O ' ' A' ' 14' ' ' TYR . 46.6 mm -69.98 109.1 2.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.545 1.153 . . . . 0.0 109.309 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 67.5 mt -75.34 -24.27 57.33 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.521 1.138 . . . . 0.0 109.244 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . 0.502 ' O ' ' CG2' ' A' ' 12' ' ' ILE . 88.5 m-85 -143.45 138.75 29.51 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.524 1.14 . . . . 0.0 110.969 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 7.3 p30 -65.96 138.19 57.66 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.491 1.119 . . . . 0.0 109.264 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 74.7 t80 -131.84 130.02 41.18 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.468 1.105 . . . . 0.0 110.996 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 54.7 m -100.63 104.11 15.42 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.51 1.131 . . . . 0.0 110.379 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.512 0 O-C-N 124.539 1.149 . . . . 0.0 109.245 -179.995 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 55.3 mt-10 . . . . . 0 N--CA 1.454 -0.266 0 N-CA-C 110.293 -0.262 . . . . 0.0 110.293 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.436 HD12 ' CA ' ' A' ' 51' ' ' ALA . 4.5 tp -102.16 142.36 33.54 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.505 1.128 . . . . 0.0 109.286 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 2.4 p -97.75 114.61 26.65 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.513 1.133 . . . . 0.0 109.988 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 31.2 m -131.4 161.93 40.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.551 1.157 . . . . 0.0 109.264 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.462 ' O ' ' CG2' ' A' ' 12' ' ' ILE . 9.6 mt -108.18 179.05 4.32 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.454 1.096 . . . . 0.0 109.3 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . 0.515 ' O ' ' CB ' ' A' ' 29' ' ' ASP . 27.5 ttmt -85.68 141.12 29.98 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.507 1.129 . . . . 0.0 109.333 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . 0.515 ' CB ' ' O ' ' A' ' 28' ' ' LYS . 3.8 m-20 83.48 -6.95 1.15 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.519 1.137 . . . . 0.0 109.307 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . 0.451 ' OE2' ' CB ' ' A' ' 27' ' ' LEU . 0.2 OUTLIER -69.06 167.31 16.25 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.504 1.127 . . . . 0.0 110.281 -179.97 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 55.4 t -134.88 113.14 15.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.519 1.137 . . . . 0.0 109.285 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.454 HD22 ' CG1' ' A' ' 12' ' ' ILE . 3.0 mm? -108.14 171.24 7.52 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.487 1.117 . . . . 0.0 109.285 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 4.7 tt0 -107.08 132.66 52.74 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.517 1.136 . . . . 0.0 110.302 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 8.6 p -91.31 130.9 39.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.497 1.123 . . . . 0.0 109.317 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -116.17 -45.19 2.85 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.511 1.132 . . . . 0.0 109.278 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 5.7 mt-10 -122.47 123.85 42.25 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.49 1.119 . . . . 0.0 110.299 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 1.1 p-10 -129.36 177.88 6.86 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.481 1.113 . . . . 0.0 109.303 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 83.21 15.66 71.37 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.44 1.088 . . . . 0.0 110.992 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -127.12 159.59 33.77 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.464 0.744 . . . . 0.0 110.28 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 31.0 mt-30 -40.93 -63.15 0.7 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.501 1.125 . . . . 0.0 110.312 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 9.8 m95 -106.51 133.18 51.59 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 107.982 -1.118 . . . . 0.0 107.982 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' TRP . . . . . 0.433 ' HB2' ' CD1' ' A' ' 59' ' ' LEU . 46.3 m0 -80.9 148.79 29.72 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.475 1.109 . . . . 0.0 108.013 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 23.7 tttt -104.61 99.74 9.41 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.534 1.146 . . . . 0.0 109.33 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.519 ' N ' ' CD2' ' A' ' 44' ' ' LEU . 0.4 OUTLIER -96.27 167.09 11.4 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.469 1.106 . . . . 0.0 109.33 179.989 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 28.9 ttm180 -146.81 121.35 9.73 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.464 1.102 . . . . 0.0 110.258 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 5.8 t -75.23 169.64 17.63 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.531 1.145 . . . . 0.0 110.0 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.75 -12.49 61.52 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.482 1.114 . . . . 0.0 110.3 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 3.8 m -73.62 -23.55 59.91 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.51 1.132 . . . . 0.0 110.007 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 107.0 1.38 36.12 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.5 1.125 . . . . 0.0 111.034 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 12.8 mt-30 -81.15 145.09 31.2 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.517 0.775 . . . . 0.0 110.313 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . 0.436 ' CA ' HD12 ' A' ' 24' ' ' LEU . . . -138.08 130.12 28.65 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.54 1.15 . . . . 0.0 109.273 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . 0.427 ' N ' HD12 ' A' ' 24' ' ' LEU . . . -150.38 172.35 30.18 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.526 1.141 . . . . 0.0 110.989 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 35.3 m-85 -103.13 132.55 49.31 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.489 0.758 . . . . 0.0 111.002 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . 0.459 ' CG2' HD23 ' A' ' 44' ' ' LEU . 0.0 OUTLIER -133.54 162.69 56.12 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.509 1.131 . . . . 0.0 109.329 179.967 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 144.07 29.92 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.558 1.82 . . . . 0.0 110.983 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' CYS . . . . . 0.429 ' HA ' ' CG ' ' A' ' 59' ' ' LEU . 44.6 t -82.59 -0.1 45.36 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.536 1.148 . . . . 0.0 108.329 179.946 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 9.0 m-20 -72.24 -17.51 61.9 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 0.0 109.284 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 18.5 pt -111.94 -12.83 11.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.508 1.13 . . . . 0.0 109.331 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . 0.433 ' CD1' ' HB2' ' A' ' 42' ' ' TRP . 88.2 mt -73.85 151.47 40.49 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.478 1.111 . . . . 0.0 109.299 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.966 0 O-C-N 124.508 1.13 . . . . 0.0 110.981 179.995 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.452 -0.331 0 N-CA-C 109.32 -0.622 . . . . 0.0 109.32 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 47.8 m-85 -145.81 176.52 9.6 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.485 1.116 . . . . 0.0 110.993 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 7.7 p -135.76 141.75 41.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.434 1.084 . . . . 0.0 109.315 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . 0.465 ' CE ' ' HA ' ' A' ' 29' ' ' ASP . 13.4 tptm -101.29 114.92 29.35 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.488 1.118 . . . . 0.0 109.291 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 9.5 mm -64.9 139.89 20.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.536 1.148 . . . . 0.0 109.277 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 53.4 mt -108.24 -20.93 12.98 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.538 1.148 . . . . 0.0 109.267 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 72.0 m-85 -140.42 137.92 34.35 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.469 1.106 . . . . 0.0 111.022 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -71.26 114.36 9.24 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.53 1.144 . . . . 0.0 109.326 -179.953 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . 0.565 ' CE2' HG13 ' A' ' 54' ' ' VAL . 74.4 t80 -105.72 145.48 31.04 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.537 1.148 . . . . 0.0 110.963 -179.945 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 47.8 m -118.13 99.19 6.72 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.491 1.12 . . . . 0.0 110.419 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.461 0 O-C-N 124.531 1.144 . . . . 0.0 109.289 -179.987 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 56.4 mt-10 . . . . . 0 N--CA 1.453 -0.296 0 N-CA-C 110.325 -0.25 . . . . 0.0 110.325 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.446 ' HB2' ' CA ' ' A' ' 52' ' ' GLY . 6.9 tp -117.25 143.78 45.53 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.494 1.121 . . . . 0.0 109.276 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 12.8 p -98.48 122.2 41.37 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.458 1.099 . . . . 0.0 110.006 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.46 ' CG1' HD21 ' A' ' 32' ' ' LEU . 29.4 m -133.87 148.53 30.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.444 1.09 . . . . 0.0 109.314 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 5.2 mp -93.13 179.07 5.54 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.478 1.111 . . . . 0.0 109.307 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . 0.449 ' O ' ' CB ' ' A' ' 29' ' ' ASP . 0.0 OUTLIER -83.95 137.54 33.58 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.489 1.118 . . . . 0.0 109.29 179.989 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . 0.465 ' HA ' ' CE ' ' A' ' 11' ' ' LYS . 0.5 OUTLIER 77.86 18.13 1.25 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.488 1.117 . . . . 0.0 109.317 -179.973 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -97.19 163.44 12.91 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.531 1.144 . . . . 0.0 110.311 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 73.3 t -132.77 126.56 54.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.475 1.109 . . . . 0.0 109.314 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.46 HD21 ' CG1' ' A' ' 26' ' ' VAL . 2.4 mm? -115.67 178.49 4.29 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.494 1.121 . . . . 0.0 109.308 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -101.41 111.98 24.37 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.507 1.129 . . . . 0.0 110.302 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 7.5 p -76.01 126.53 36.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.514 1.134 . . . . 0.0 109.298 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -113.42 -39.83 4.01 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.527 1.142 . . . . 0.0 109.278 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 11.4 mm-40 -129.59 124.92 34.97 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.539 1.15 . . . . 0.0 110.334 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 4.7 p-10 -136.22 173.62 11.51 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.463 1.102 . . . . 0.0 109.271 -179.944 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 90.09 -11.29 71.29 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.5 1.125 . . . . 0.0 111.054 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . 0.412 ' O ' ' C ' ' A' ' 40' ' ' GLN . 0.1 OUTLIER -103.91 166.16 10.59 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.476 0.751 . . . . 0.0 110.255 -179.979 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . 0.412 ' C ' ' O ' ' A' ' 39' ' ' ARG . 0.0 OUTLIER -38.24 -72.55 0.06 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.507 1.13 . . . . 0.0 110.287 -179.993 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' TRP . . . . . 0.58 ' CZ3' ' HD3' ' A' ' 55' ' ' PRO . 11.7 m0 -102.92 136.83 42.01 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 107.995 -1.113 . . . . 0.0 107.995 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' TRP . . . . . 0.456 ' CE3' HD13 ' A' ' 59' ' ' LEU . 38.7 m0 -84.05 162.46 20.34 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.514 1.134 . . . . 0.0 108.065 179.943 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . 0.572 ' HB2' ' CE1' ' A' ' 53' ' ' TYR . 22.0 tttt -118.04 99.97 7.24 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.476 1.11 . . . . 0.0 109.275 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.58 ' CD2' ' CG2' ' A' ' 54' ' ' VAL . 0.2 OUTLIER -96.93 166.61 11.53 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.488 1.117 . . . . 0.0 109.299 179.994 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . 0.449 ' NH1' ' O ' ' A' ' 46' ' ' SER . 45.3 ttp85 -134.07 120.03 19.68 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.499 1.124 . . . . 0.0 110.352 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' SER . . . . . 0.449 ' O ' ' NH1' ' A' ' 45' ' ' ARG . 4.2 p -67.88 164.19 20.3 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.491 1.119 . . . . 0.0 110.008 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.3 -16.44 63.56 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.481 1.113 . . . . 0.0 110.336 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 1.1 t -73.15 -20.84 60.83 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.489 1.118 . . . . 0.0 109.994 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 106.15 14.39 20.72 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.473 1.108 . . . . 0.0 110.996 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 12.0 mm100 -99.59 138.01 37.28 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.446 0.733 . . . . 0.0 110.316 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -122.54 130.33 52.91 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.525 1.141 . . . . 0.0 109.275 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . 0.446 ' CA ' ' HB2' ' A' ' 24' ' ' LEU . . . -150.12 163.12 29.4 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.524 1.14 . . . . 0.0 111.033 179.946 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' TYR . . . . . 0.572 ' CE1' ' HB2' ' A' ' 43' ' ' LYS . 56.8 m-85 -93.51 151.26 19.83 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.555 0.797 . . . . 0.0 111.025 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . 0.58 ' CG2' ' CD2' ' A' ' 44' ' ' LEU . 0.0 OUTLIER -151.44 164.08 21.45 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.533 1.146 . . . . 0.0 109.25 -179.968 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' PRO . . . . . 0.58 ' HD3' ' CZ3' ' A' ' 41' ' ' TRP . 18.4 Cg_endo -74.99 146.95 33.32 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.463 1.77 . . . . 0.0 111.031 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 30.8 p -84.76 2.17 43.3 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.519 1.137 . . . . 0.0 108.288 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 51.6 t30 -73.79 -19.02 60.89 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.501 1.126 . . . . 0.0 109.306 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 10.3 pt -109.11 -17.22 8.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.49 1.119 . . . . 0.0 109.349 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . 0.456 HD13 ' CE3' ' A' ' 42' ' ' TRP . 92.2 mt -72.03 156.27 39.41 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.525 1.14 . . . . 0.0 109.323 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.022 0 O-C-N 124.545 1.153 . . . . 0.0 110.986 -179.97 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 3.4 tttt . . . . . 0 N--CA 1.454 -0.266 0 N-CA-C 109.304 -0.628 . . . . 0.0 109.304 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' TYR . . . . . 0.506 ' CE1' ' HG2' ' A' ' 33' ' ' GLU . 72.3 m-85 -141.74 157.81 44.58 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.559 1.162 . . . . 0.0 111.017 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 8.9 p -121.8 140.33 46.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.482 1.114 . . . . 0.0 109.256 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 4.2 tttt -105.17 104.2 13.89 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.496 1.122 . . . . 0.0 109.31 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 39.7 mm -44.36 143.99 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.52 1.137 . . . . 0.0 109.309 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 77.3 mt -108.89 -38.68 5.53 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.49 1.119 . . . . 0.0 109.306 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 82.2 m-85 -128.33 138.22 52.28 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.484 1.115 . . . . 0.0 111.013 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -62.32 108.46 1.1 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.495 1.122 . . . . 0.0 109.329 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . 0.561 ' CD2' HG13 ' A' ' 54' ' ' VAL . 63.7 t80 -108.69 136.32 48.47 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.47 1.106 . . . . 0.0 110.975 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 20.0 m -112.72 127.7 56.21 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.471 1.107 . . . . 0.0 110.413 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.515 0 O-C-N 124.527 1.142 . . . . 0.0 109.302 -179.996 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 50.7 mt-10 . . . . . 0 N--CA 1.453 -0.311 0 N-CA-C 110.288 -0.264 . . . . 0.0 110.288 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.477 ' HB2' ' CA ' ' A' ' 52' ' ' GLY . 12.9 tp -109.87 151.01 27.57 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.479 1.112 . . . . 0.0 109.345 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 3.0 p -105.68 114.89 29.32 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.515 1.135 . . . . 0.0 109.993 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.463 ' CG1' HD21 ' A' ' 32' ' ' LEU . 34.5 m -128.8 176.6 7.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.466 1.104 . . . . 0.0 109.275 -179.95 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 9.7 mt -127.52 179.39 5.52 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.498 1.124 . . . . 0.0 109.29 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . 0.423 ' HG2' ' N ' ' A' ' 29' ' ' ASP . 1.7 ttmt -82.02 143.12 31.78 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.524 1.14 . . . . 0.0 109.291 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . 0.423 ' N ' ' HG2' ' A' ' 28' ' ' LYS . 0.1 OUTLIER 71.0 27.39 3.37 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.535 1.147 . . . . 0.0 109.335 -179.968 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 10.8 mt-10 -107.75 161.94 14.44 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.502 1.126 . . . . 0.0 110.319 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 99.1 t -134.05 118.04 27.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.549 1.156 . . . . 0.0 109.269 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.463 HD21 ' CG1' ' A' ' 26' ' ' VAL . 2.9 mm? -108.85 171.36 7.47 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.505 1.128 . . . . 0.0 109.326 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . 0.506 ' HG2' ' CE1' ' A' ' 9' ' ' TYR . 0.3 OUTLIER -93.3 114.24 26.64 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.48 1.112 . . . . 0.0 110.284 -179.986 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 14.4 p -82.76 118.94 31.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.497 1.123 . . . . 0.0 109.322 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -104.65 -48.15 3.87 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.47 1.106 . . . . 0.0 109.334 179.954 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -110.37 135.2 51.46 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.517 1.136 . . . . 0.0 110.308 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 1.9 p-10 -146.07 176.44 9.72 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.456 1.098 . . . . 0.0 109.312 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 68.16 17.7 70.3 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.518 1.137 . . . . 0.0 110.991 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . 0.403 ' O ' ' C ' ' A' ' 40' ' ' GLN . 0.0 OUTLIER -128.02 166.04 19.16 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.478 0.752 . . . . 0.0 110.299 -179.946 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . 0.403 ' C ' ' O ' ' A' ' 39' ' ' ARG . 12.1 mt-30 -38.2 -74.99 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.509 1.131 . . . . 0.0 110.253 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' TRP . . . . . 0.523 ' CZ3' ' HD3' ' A' ' 55' ' ' PRO . 11.1 m95 -105.66 138.27 42.14 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.495 1.122 . . . . 0.0 107.998 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' TRP . . . . . 0.4 ' CE3' HD11 ' A' ' 59' ' ' LEU . 42.3 m0 -84.01 161.0 20.89 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 107.991 -1.114 . . . . 0.0 107.991 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . 0.571 ' HB2' ' CE1' ' A' ' 53' ' ' TYR . 12.3 tttp -119.73 99.69 6.8 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.513 1.133 . . . . 0.0 109.278 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.489 ' CD2' ' CG2' ' A' ' 54' ' ' VAL . 0.5 OUTLIER -93.9 166.9 11.95 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.544 1.153 . . . . 0.0 109.285 179.992 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 12.0 ttp85 -143.06 126.14 16.37 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.469 1.106 . . . . 0.0 110.263 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -84.74 166.87 16.64 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.534 1.147 . . . . 0.0 109.999 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.9 -12.75 60.43 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.516 1.135 . . . . 0.0 110.248 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -74.89 -2.19 25.78 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.521 1.138 . . . . 0.0 110.041 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 85.4 -0.32 88.48 Favored Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.482 1.114 . . . . 0.0 110.992 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 1.4 mt-30 -88.71 148.9 23.75 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.53 0.782 . . . . 0.0 110.268 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . 0.465 ' CA ' HD11 ' A' ' 24' ' ' LEU . . . -145.74 130.22 17.82 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.494 1.121 . . . . 0.0 109.331 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . 0.477 ' CA ' ' HB2' ' A' ' 24' ' ' LEU . . . -141.92 170.56 24.84 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.49 1.119 . . . . 0.0 111.001 -179.946 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' TYR . . . . . 0.571 ' CE1' ' HB2' ' A' ' 43' ' ' LYS . 39.7 m-85 -96.07 145.67 25.28 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.502 0.766 . . . . 0.0 111.023 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . 0.561 HG13 ' CD2' ' A' ' 16' ' ' PHE . 0.0 OUTLIER -149.73 164.75 19.59 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.505 1.128 . . . . 0.0 109.325 179.965 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' PRO . . . . . 0.523 ' HD3' ' CZ3' ' A' ' 41' ' ' TRP . 18.3 Cg_endo -75.03 143.71 29.26 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.479 1.779 . . . . 0.0 111.012 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 30.5 p -80.15 -2.0 42.74 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.536 1.147 . . . . 0.0 108.315 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 2.0 t-20 -68.25 -33.67 74.81 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.499 1.124 . . . . 0.0 109.329 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 8.4 pt -93.1 -21.54 6.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.535 1.147 . . . . 0.0 109.322 179.931 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . 0.4 HD11 ' CE3' ' A' ' 42' ' ' TRP . 67.4 mt -73.69 159.53 32.88 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.477 1.111 . . . . 0.0 109.335 179.952 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.023 0 O-C-N 124.523 1.14 . . . . 0.0 111.011 179.994 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.293 0 N-CA-C 109.329 -0.619 . . . . 0.0 109.329 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' TYR . . . . . 0.55 ' CE2' ' HG2' ' A' ' 33' ' ' GLU . 73.4 m-85 -137.37 175.51 9.54 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.488 1.118 . . . . 0.0 111.006 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 3.5 p -140.84 131.26 27.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.481 1.113 . . . . 0.0 109.308 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . 0.466 ' CE ' ' HA ' ' A' ' 29' ' ' ASP . 0.0 OUTLIER -96.7 106.28 18.53 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.462 1.102 . . . . 0.0 109.327 -179.995 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 50.2 mm -49.39 141.1 2.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.561 1.163 . . . . 0.0 109.273 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 34.3 mt -105.05 -35.64 7.57 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.487 1.117 . . . . 0.0 109.274 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 97.2 m-85 -126.6 142.03 51.67 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.532 1.145 . . . . 0.0 110.986 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 1.4 p30 -71.56 120.53 17.28 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.483 1.114 . . . . 0.0 109.264 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 53.9 t80 -120.66 147.37 45.34 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.515 1.134 . . . . 0.0 110.928 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 97.7 m -112.58 132.74 54.98 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.519 1.137 . . . . 0.0 110.393 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . 0.415 ' HB1' ' N ' ' A' ' 25' ' ' SER . . . . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.5 1.125 . . . . 0.0 109.294 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 . . . . . 0 N--CA 1.453 -0.285 0 N-CA-C 110.303 -0.258 . . . . 0.0 110.303 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.481 ' HB2' ' CA ' ' A' ' 52' ' ' GLY . 5.0 tp -114.19 131.26 56.52 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.494 1.121 . . . . 0.0 109.277 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' SER . . . . . 0.415 ' N ' ' HB1' ' A' ' 18' ' ' ALA . 4.0 p -81.36 117.03 21.49 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.465 1.103 . . . . 0.0 109.962 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 18.4 m -124.27 176.86 5.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.467 1.104 . . . . 0.0 109.294 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.431 ' HG ' ' N ' ' A' ' 28' ' ' LYS . 61.6 tp -132.12 168.76 17.42 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.517 1.135 . . . . 0.0 109.294 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . 0.475 ' O ' ' CB ' ' A' ' 29' ' ' ASP . 0.0 OUTLIER -79.11 133.13 36.77 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.533 1.145 . . . . 0.0 109.246 -179.965 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . 0.475 ' CB ' ' O ' ' A' ' 28' ' ' LYS . 4.1 t70 80.34 28.96 0.25 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.484 1.115 . . . . 0.0 109.283 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 6.6 mt-10 -109.4 167.38 10.16 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.488 1.118 . . . . 0.0 110.305 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 45.9 t -133.28 113.41 19.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.527 1.142 . . . . 0.0 109.282 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.417 ' N ' HD22 ' A' ' 32' ' ' LEU . 3.2 mm? -105.82 170.69 7.75 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.532 1.145 . . . . 0.0 109.321 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . 0.55 ' HG2' ' CE2' ' A' ' 9' ' ' TYR . 0.9 OUTLIER -99.47 124.42 44.62 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.466 1.104 . . . . 0.0 110.275 -179.977 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . 0.441 ' N ' ' OE1' ' A' ' 33' ' ' GLU . 8.9 p -90.7 123.07 42.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.522 1.139 . . . . 0.0 109.337 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -112.49 -40.42 4.1 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.462 1.101 . . . . 0.0 109.273 -179.953 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -126.17 127.8 46.28 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.544 1.153 . . . . 0.0 110.316 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 3.1 p-10 -142.73 -179.64 6.45 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.515 1.134 . . . . 0.0 109.283 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 97.46 -6.42 63.16 Favored Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.505 1.128 . . . . 0.0 111.012 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 3.9 ttt85 -116.51 164.53 14.44 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.555 0.797 . . . . 0.0 110.333 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 27.7 mt-30 -41.45 -68.3 0.19 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.489 1.118 . . . . 0.0 110.287 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' TRP . . . . . 0.455 ' CE3' ' C ' ' A' ' 54' ' ' VAL . 13.2 m95 -97.13 131.25 44.07 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.523 1.14 . . . . 0.0 107.986 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' TRP . . . . . 0.437 ' CE3' ' CD1' ' A' ' 59' ' ' LEU . 38.2 m0 -90.13 159.66 16.67 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.506 1.129 . . . . 0.0 107.979 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . 0.403 ' HB2' ' CE1' ' A' ' 53' ' ' TYR . 14.8 tttt -109.66 99.85 8.97 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.509 1.131 . . . . 0.0 109.269 -179.939 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.542 ' N ' ' CD2' ' A' ' 44' ' ' LEU . 0.5 OUTLIER -96.82 167.14 11.28 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.493 1.12 . . . . 0.0 109.345 179.972 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 24.3 ttp180 -136.85 129.46 30.32 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.494 1.121 . . . . 0.0 110.338 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 27.6 p -77.57 165.82 23.82 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.555 1.159 . . . . 0.0 110.031 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 4.7 mmm180 -68.95 -11.68 60.92 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.514 1.134 . . . . 0.0 110.239 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -78.23 -16.48 57.79 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.488 1.117 . . . . 0.0 109.961 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 102.69 5.97 47.34 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.483 1.114 . . . . 0.0 110.995 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 30.4 mm-40 -88.1 141.79 28.29 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.516 0.774 . . . . 0.0 110.309 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -127.79 129.14 46.52 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.453 1.096 . . . . 0.0 109.336 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . 0.481 ' CA ' ' HB2' ' A' ' 24' ' ' LEU . . . -150.25 168.09 30.2 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.435 1.084 . . . . 0.0 110.989 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' TYR . . . . . 0.403 ' CE1' ' HB2' ' A' ' 43' ' ' LYS . 59.8 m-85 -96.2 153.35 17.85 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.521 0.777 . . . . 0.0 111.011 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . 0.472 ' CG2' HD21 ' A' ' 44' ' ' LEU . 0.0 OUTLIER -152.97 167.02 14.2 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.468 1.105 . . . . 0.0 109.269 -179.995 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' PRO . . . . . 0.404 ' HB2' ' ND2' ' A' ' 57' ' ' ASN . 18.3 Cg_endo -75.01 150.98 38.89 Favored 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.48 1.779 . . . . 0.0 111.002 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 30.9 p -92.34 -15.48 27.27 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.459 1.1 . . . . 0.0 108.299 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . 0.404 ' ND2' ' HB2' ' A' ' 55' ' ' PRO . 4.0 p30 -65.14 -12.14 47.8 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.53 1.144 . . . . 0.0 109.3 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 29.1 pt -108.75 -28.79 2.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.48 1.113 . . . . 0.0 109.329 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . 0.437 ' CD1' ' CE3' ' A' ' 42' ' ' TRP . 85.3 mt -64.3 171.12 3.27 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.49 1.119 . . . . 0.0 109.293 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.972 0 O-C-N 124.459 1.099 . . . . 0.0 111.014 179.989 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.281 0 N-CA-C 109.314 -0.624 . . . . 0.0 109.314 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 74.6 m-85 -139.12 164.15 30.54 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.499 1.124 . . . . 0.0 110.952 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 8.5 p -128.7 137.43 57.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.46 1.1 . . . . 0.0 109.327 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 4.0 tttt -98.41 111.02 23.51 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.424 1.078 . . . . 0.0 109.309 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 43.5 mm -60.46 133.39 26.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.451 1.094 . . . . 0.0 109.303 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.536 ' HB2' ' CD1' ' A' ' 14' ' ' TYR . 71.3 mt -97.11 -34.25 11.22 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.123 . . . . 0.0 109.303 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . 0.536 ' CD1' ' HB2' ' A' ' 13' ' ' LEU . 10.2 m-85 -131.26 133.23 45.23 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.495 1.122 . . . . 0.0 110.981 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 1.2 p30 -63.85 113.73 3.61 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.496 1.123 . . . . 0.0 109.329 179.936 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . 0.425 ' CD2' HG13 ' A' ' 54' ' ' VAL . 87.1 t80 -104.09 146.71 28.34 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.513 1.133 . . . . 0.0 110.995 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 5.7 m -118.35 110.22 17.22 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.52 1.138 . . . . 0.0 110.385 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.51 0 O-C-N 124.506 1.129 . . . . 0.0 109.312 -179.999 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 41.5 mt-10 . . . . . 0 N--CA 1.453 -0.301 0 N-CA-C 110.323 -0.251 . . . . 0.0 110.323 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.475 ' HB2' ' CA ' ' A' ' 52' ' ' GLY . 4.8 tp -108.87 145.53 35.18 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.481 1.113 . . . . 0.0 109.362 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 7.2 p -98.89 119.97 38.56 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.5 1.125 . . . . 0.0 110.0 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.403 ' CG1' HD22 ' A' ' 32' ' ' LEU . 26.6 m -133.39 156.27 41.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.534 1.146 . . . . 0.0 109.318 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.48 ' CD2' ' N ' ' A' ' 27' ' ' LEU . 1.2 mm? -105.87 179.14 4.36 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.545 1.153 . . . . 0.0 109.281 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . 0.401 ' HG2' ' N ' ' A' ' 29' ' ' ASP . 7.2 ttmt -81.4 142.84 32.61 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.529 1.143 . . . . 0.0 109.31 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . 0.401 ' N ' ' HG2' ' A' ' 28' ' ' LYS . 16.9 t0 72.01 28.47 2.54 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.494 1.121 . . . . 0.0 109.33 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 17.3 mt-10 -107.84 162.03 14.37 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.531 1.144 . . . . 0.0 110.305 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 73.5 t -133.95 119.91 33.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.496 1.122 . . . . 0.0 109.262 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.403 HD22 ' CG1' ' A' ' 26' ' ' VAL . 2.4 mm? -108.8 178.39 4.49 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.472 1.107 . . . . 0.0 109.295 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 4.7 tt0 -104.4 104.11 13.92 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.513 1.133 . . . . 0.0 110.294 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 14.6 p -68.1 117.31 9.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.451 1.094 . . . . 0.0 109.295 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 1.2 mt -98.25 -47.97 5.25 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.524 1.14 . . . . 0.0 109.322 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 7.7 mm-40 -128.04 124.28 36.72 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.542 1.151 . . . . 0.0 110.256 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -135.51 -177.91 4.88 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.527 1.142 . . . . 0.0 109.313 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 90.85 -10.02 76.08 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.497 1.123 . . . . 0.0 111.059 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 4.6 ttt85 -109.35 165.42 11.64 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.465 0.744 . . . . 0.0 110.273 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 25.7 mt-30 -38.92 -63.78 0.5 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.52 1.138 . . . . 0.0 110.279 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' TRP . . . . . 0.427 ' CE3' ' C ' ' A' ' 54' ' ' VAL . 13.1 m95 -105.47 132.67 51.36 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.52 1.137 . . . . 0.0 108.048 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' TRP . . . . . 0.473 ' CE3' HD13 ' A' ' 59' ' ' LEU . 43.9 m0 -87.51 163.57 16.6 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.575 1.172 . . . . 0.0 108.024 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . 0.538 ' HB2' ' CE1' ' A' ' 53' ' ' TYR . 56.4 tttt -115.48 99.84 7.65 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.501 1.126 . . . . 0.0 109.267 -179.946 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.517 ' CD2' ' CG2' ' A' ' 54' ' ' VAL . 0.1 OUTLIER -102.06 164.09 11.89 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.546 1.154 . . . . 0.0 109.24 -179.98 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . 0.466 ' CG ' ' O ' ' A' ' 50' ' ' GLN . 23.0 ttp180 -131.57 135.58 47.12 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.515 1.134 . . . . 0.0 110.316 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 96.3 p -85.01 165.39 17.59 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.49 1.119 . . . . 0.0 110.016 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.89 -15.78 63.59 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.491 1.12 . . . . 0.0 110.293 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -75.95 -1.59 26.33 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.51 1.131 . . . . 0.0 109.983 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 82.7 29.79 34.42 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.555 1.16 . . . . 0.0 110.958 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . 0.466 ' O ' ' CG ' ' A' ' 45' ' ' ARG . 14.1 mm100 -112.97 153.69 27.64 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.502 0.766 . . . . 0.0 110.334 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . 0.457 ' CA ' HD13 ' A' ' 24' ' ' LEU . . . -137.37 129.47 29.24 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.524 1.14 . . . . 0.0 109.294 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . 0.475 ' CA ' ' HB2' ' A' ' 24' ' ' LEU . . . -150.24 153.69 25.21 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.509 1.131 . . . . 0.0 110.996 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' TYR . . . . . 0.538 ' CE1' ' HB2' ' A' ' 43' ' ' LYS . 41.6 m-85 -85.79 144.14 27.91 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.484 0.755 . . . . 0.0 110.974 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . 0.517 ' CG2' ' CD2' ' A' ' 44' ' ' LEU . 0.0 OUTLIER -143.9 165.89 22.09 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.478 1.111 . . . . 0.0 109.311 179.971 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 144.59 30.43 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.527 1.804 . . . . 0.0 111.058 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 26.9 p -83.27 0.48 45.44 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.533 1.146 . . . . 0.0 108.327 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -71.76 -29.14 64.17 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.479 1.112 . . . . 0.0 109.309 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 9.0 pt -97.44 -21.73 5.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.446 1.092 . . . . 0.0 109.302 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . 0.473 HD13 ' CE3' ' A' ' 42' ' ' TRP . 86.1 mt -65.33 164.25 13.95 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.477 1.111 . . . . 0.0 109.317 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.038 0 O-C-N 124.517 1.136 . . . . 0.0 110.959 179.989 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.3 0 N-CA-C 109.294 -0.632 . . . . 0.0 109.294 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 66.1 m-85 -144.4 161.73 38.27 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.497 1.123 . . . . 0.0 110.987 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 14.5 p -133.81 147.53 30.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.515 1.134 . . . . 0.0 109.308 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . 0.44 ' CE ' ' HA ' ' A' ' 29' ' ' ASP . 14.1 tttt -107.23 127.38 53.48 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.532 1.145 . . . . 0.0 109.309 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . 0.459 ' CG2' ' O ' ' A' ' 14' ' ' TYR . 22.9 mm -72.67 127.34 34.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.541 1.151 . . . . 0.0 109.273 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 70.5 mt -94.61 -21.8 18.58 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.525 1.141 . . . . 0.0 109.283 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . 0.459 ' O ' ' CG2' ' A' ' 12' ' ' ILE . 97.3 m-85 -142.44 143.55 32.67 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.47 1.107 . . . . 0.0 111.006 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -72.62 110.94 7.35 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.487 1.117 . . . . 0.0 109.268 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . 0.546 ' CD2' HG12 ' A' ' 54' ' ' VAL . 68.0 t80 -109.6 141.31 42.3 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.49 1.119 . . . . 0.0 111.044 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 3.9 m -120.43 118.92 31.55 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.556 1.16 . . . . 0.0 110.406 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.51 0 O-C-N 124.499 1.124 . . . . 0.0 109.285 179.986 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 41.7 mt-10 . . . . . 0 N--CA 1.454 -0.252 0 N-CA-C 110.256 -0.275 . . . . 0.0 110.256 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.422 HD11 ' N ' ' A' ' 52' ' ' GLY . 7.2 tp -122.58 142.94 50.09 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.494 1.121 . . . . 0.0 109.263 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 2.3 p -99.59 115.06 28.52 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.513 1.133 . . . . 0.0 110.023 179.936 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 33.7 m -134.68 158.56 41.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.524 1.14 . . . . 0.0 109.324 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.463 ' CB ' ' OE2' ' A' ' 30' ' ' GLU . 3.2 mm? -101.34 178.96 4.5 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.496 1.122 . . . . 0.0 109.295 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . 0.535 ' O ' ' CB ' ' A' ' 29' ' ' ASP . 0.0 OUTLIER -87.29 141.47 28.62 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.523 1.139 . . . . 0.0 109.272 -179.973 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . 0.535 ' CB ' ' O ' ' A' ' 28' ' ' LYS . 17.6 t0 84.8 -9.47 0.87 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.499 1.124 . . . . 0.0 109.315 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . 0.463 ' OE2' ' CB ' ' A' ' 27' ' ' LEU . 0.2 OUTLIER -68.77 167.53 15.24 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.5 1.125 . . . . 0.0 110.286 -179.962 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 54.4 t -134.47 121.72 37.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.485 1.116 . . . . 0.0 109.294 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -113.24 176.36 5.06 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.466 1.104 . . . . 0.0 109.282 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . 0.438 ' HG2' ' CD2' ' A' ' 35' ' ' LEU . 8.3 tt0 -108.01 118.82 37.75 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.48 1.113 . . . . 0.0 110.288 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 8.8 p -80.17 132.2 32.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.531 1.144 . . . . 0.0 109.293 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.438 ' CD2' ' HG2' ' A' ' 33' ' ' GLU . 0.6 OUTLIER -117.0 -51.12 2.57 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.562 1.164 . . . . 0.0 109.266 -179.955 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 7.0 mm-40 -116.69 124.15 48.99 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.506 1.129 . . . . 0.0 110.301 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 1.1 p-10 -133.63 173.62 11.31 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.473 1.108 . . . . 0.0 109.312 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 99.42 -13.98 61.1 Favored Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.431 1.082 . . . . 0.0 110.998 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -107.4 165.15 11.6 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.462 0.743 . . . . 0.0 110.254 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -45.47 -67.79 0.25 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.465 1.103 . . . . 0.0 110.35 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' TRP . . . . . 0.441 ' CE3' ' C ' ' A' ' 54' ' ' VAL . 19.0 m95 -93.08 133.67 36.0 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.518 1.136 . . . . 0.0 108.014 179.943 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' TRP . . . . . 0.534 ' CE3' HD11 ' A' ' 59' ' ' LEU . 47.0 m0 -90.08 162.91 15.09 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.502 1.126 . . . . 0.0 107.969 -179.952 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 10.4 tttp -115.0 99.75 7.68 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.532 1.145 . . . . 0.0 109.277 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.531 ' N ' ' CD2' ' A' ' 44' ' ' LEU . 0.1 OUTLIER -102.54 160.85 14.2 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.534 1.147 . . . . 0.0 109.293 179.969 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . 0.494 ' CG ' ' O ' ' A' ' 50' ' ' GLN . 15.1 ttp180 -132.71 122.67 24.94 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.497 1.123 . . . . 0.0 110.283 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 1.5 t -67.91 163.31 22.31 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.476 1.11 . . . . 0.0 110.024 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.32 -22.89 63.74 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.465 1.103 . . . . 0.0 110.276 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -68.03 -20.14 64.97 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.486 1.116 . . . . 0.0 110.029 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 108.26 -11.75 36.82 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.467 1.104 . . . . 0.0 110.981 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . 0.494 ' O ' ' CG ' ' A' ' 45' ' ' ARG . 5.8 mm-40 -64.59 152.61 41.63 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.466 0.744 . . . . 0.0 110.32 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -138.44 130.37 28.21 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.438 1.086 . . . . 0.0 109.271 -179.945 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . 0.422 ' N ' HD11 ' A' ' 24' ' ' LEU . . . -149.96 175.05 29.25 Favored Glycine 0 CA--C 1.531 1.066 0 O-C-N 124.485 1.115 . . . . 0.0 111.005 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 38.2 m-85 -105.86 143.43 34.02 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.527 0.781 . . . . 0.0 111.009 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . 0.546 HG12 ' CD2' ' A' ' 16' ' ' PHE . 0.0 OUTLIER -145.01 165.45 22.15 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.513 1.133 . . . . 0.0 109.277 -179.957 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 146.66 33.13 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.5 1.79 . . . . 0.0 111.015 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 30.0 p -83.82 0.59 46.86 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 0.0 108.33 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 23.8 m-20 -74.31 -26.2 60.03 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.477 1.111 . . . . 0.0 109.296 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 19.4 pt -98.82 -25.15 4.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.476 1.11 . . . . 0.0 109.319 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . 0.534 HD11 ' CE3' ' A' ' 42' ' ' TRP . 74.0 mt -68.17 154.29 42.01 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.509 1.13 . . . . 0.0 109.288 -179.95 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.972 0 O-C-N 124.449 1.093 . . . . 0.0 111.045 -179.987 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.453 -0.297 0 N-CA-C 109.283 -0.636 . . . . 0.0 109.283 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 91.5 m-85 -143.66 168.59 19.54 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.427 1.079 . . . . 0.0 111.025 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . 0.439 ' CG2' ' HB3' ' A' ' 59' ' ' LEU . 4.9 p -134.17 135.58 54.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.495 1.122 . . . . 0.0 109.269 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 12.5 tttt -93.07 121.67 34.65 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.501 1.125 . . . . 0.0 109.279 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . 0.469 ' CG2' ' O ' ' A' ' 27' ' ' LEU . 34.4 mm -66.38 111.26 1.65 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.5 1.125 . . . . 0.0 109.311 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 87.1 mt -76.6 -28.53 56.18 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.539 1.149 . . . . 0.0 109.3 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . 0.463 ' O ' ' CG2' ' A' ' 12' ' ' ILE . 71.1 m-85 -142.2 145.07 33.73 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.549 1.156 . . . . 0.0 110.964 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . 0.41 ' N ' ' HB2' ' A' ' 28' ' ' LYS . 5.2 p-10 -72.28 125.28 26.95 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.487 1.117 . . . . 0.0 109.264 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . 0.556 ' CD2' HG13 ' A' ' 54' ' ' VAL . 81.6 t80 -125.19 145.0 50.17 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.505 1.128 . . . . 0.0 110.969 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 3.5 m -121.92 114.5 21.08 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.451 1.095 . . . . 0.0 110.424 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.449 1.093 . . . . 0.0 109.265 179.999 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 8.3 mt-10 . . . . . 0 N--CA 1.453 -0.305 0 N-CA-C 110.303 -0.258 . . . . 0.0 110.303 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.436 ' HB2' ' CA ' ' A' ' 52' ' ' GLY . 4.0 tp -123.63 143.49 50.2 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.485 1.116 . . . . 0.0 109.311 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 2.3 p -94.99 114.39 26.19 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.515 1.134 . . . . 0.0 109.968 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 5.4 m -123.51 172.83 10.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.477 1.111 . . . . 0.0 109.303 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.469 ' O ' ' CG2' ' A' ' 12' ' ' ILE . 58.9 tp -120.98 168.08 11.89 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.493 1.121 . . . . 0.0 109.292 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . 0.49 ' O ' ' CB ' ' A' ' 29' ' ' ASP . 0.0 OUTLIER -82.85 140.12 33.09 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.553 1.158 . . . . 0.0 109.325 -179.998 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . 0.49 ' CB ' ' O ' ' A' ' 28' ' ' LYS . 1.9 m-20 81.65 3.94 1.37 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.505 1.128 . . . . 0.0 109.284 -179.951 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -91.87 165.0 13.47 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.472 1.107 . . . . 0.0 110.31 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 85.8 t -133.84 119.52 33.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.494 1.121 . . . . 0.0 109.315 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 2.5 mm? -109.36 178.14 4.53 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.488 1.117 . . . . 0.0 109.306 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 7.2 tt0 -107.99 132.24 53.73 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.447 1.092 . . . . 0.0 110.307 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . 0.466 ' HA ' ' CD1' ' A' ' 44' ' ' LEU . 10.4 p -83.49 130.31 36.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.564 1.165 . . . . 0.0 109.309 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.465 HD12 ' CB ' ' A' ' 45' ' ' ARG . 6.5 mp -98.26 -51.82 3.87 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.463 1.102 . . . . 0.0 109.323 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -128.65 135.95 49.98 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.464 1.103 . . . . 0.0 110.323 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -132.34 174.55 10.12 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.472 1.107 . . . . 0.0 109.279 -179.946 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 100.0 -3.92 57.27 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.486 1.116 . . . . 0.0 111.022 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 4.1 mtp180 -122.0 162.36 21.27 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.416 0.715 . . . . 0.0 110.316 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -45.34 -72.51 0.06 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.47 1.106 . . . . 0.0 110.248 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' TRP . . . . . 0.412 ' CE3' ' C ' ' A' ' 54' ' ' VAL . 13.1 m95 -84.57 128.59 34.68 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.477 1.11 . . . . 0.0 108.032 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' TRP . . . . . 0.457 ' CE3' HD11 ' A' ' 59' ' ' LEU . 46.0 m0 -86.79 163.02 17.5 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.532 1.145 . . . . 0.0 108.037 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . 0.44 ' HB2' ' CE1' ' A' ' 53' ' ' TYR . 63.0 tttt -114.45 105.2 12.83 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.451 1.095 . . . . 0.0 109.323 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.531 ' N ' ' CD2' ' A' ' 44' ' ' LEU . 0.0 OUTLIER -106.71 167.03 10.14 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.556 1.16 . . . . 0.0 109.31 179.985 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . 0.465 ' CB ' HD12 ' A' ' 35' ' ' LEU . 24.3 ttm180 -137.13 127.45 26.44 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.544 1.152 . . . . 0.0 110.308 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 25.6 p -77.12 166.65 22.99 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.518 1.136 . . . . 0.0 109.966 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.39 -11.38 59.53 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.499 1.125 . . . . 0.0 110.311 179.943 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 23.1 t -84.32 8.12 17.11 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.511 1.132 . . . . 0.0 109.968 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 76.11 12.1 84.34 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.557 1.161 . . . . 0.0 111.016 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 66.5 mm-40 -90.95 143.27 26.9 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.436 0.727 . . . . 0.0 110.289 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -133.03 127.75 34.77 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.48 1.112 . . . . 0.0 109.315 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . 0.436 ' CA ' ' HB2' ' A' ' 24' ' ' LEU . . . -150.31 157.9 27.42 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.503 1.127 . . . . 0.0 111.038 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' TYR . . . . . 0.44 ' CE1' ' HB2' ' A' ' 43' ' ' LYS . 47.7 m-85 -88.14 153.27 21.38 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.509 0.77 . . . . 0.0 111.034 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . 0.556 HG13 ' CD2' ' A' ' 16' ' ' PHE . 0.0 OUTLIER -153.47 165.11 18.45 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.51 1.131 . . . . 0.0 109.337 -179.991 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 144.26 30.16 Favored 'Trans proline' 0 C--N 1.359 1.117 0 O-C-N 124.465 1.771 . . . . 0.0 110.976 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 31.2 p -83.95 0.85 46.23 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.506 1.128 . . . . 0.0 108.273 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -74.14 -21.05 60.03 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.504 1.127 . . . . 0.0 109.329 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 31.2 pt -104.97 -19.09 6.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.128 . . . . 0.0 109.272 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . 0.457 HD11 ' CE3' ' A' ' 42' ' ' TRP . 91.6 mt -74.07 153.29 39.69 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.518 1.136 . . . . 0.0 109.274 -179.95 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.003 0 O-C-N 124.539 1.15 . . . . 0.0 110.973 -179.977 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 14.8 tttt . . . . . 0 N--CA 1.453 -0.315 0 N-CA-C 109.318 -0.623 . . . . 0.0 109.318 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 94.5 m-85 -136.42 172.08 13.54 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.504 1.127 . . . . 0.0 110.982 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 7.1 p -128.54 154.09 38.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.509 1.13 . . . . 0.0 109.263 -179.929 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 12.1 tttt -113.49 123.99 51.33 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.519 1.137 . . . . 0.0 109.34 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . 0.451 ' CD1' HG23 ' A' ' 26' ' ' VAL . 51.3 mm -71.09 119.46 17.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.442 1.089 . . . . 0.0 109.3 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 43.3 mt -87.18 -20.51 26.88 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.462 1.101 . . . . 0.0 109.33 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 68.3 m-85 -149.31 136.96 20.29 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.499 1.124 . . . . 0.0 110.96 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 10.3 p-10 -63.58 135.79 57.06 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.44 1.087 . . . . 0.0 109.323 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . 0.451 ' CD2' HG13 ' A' ' 54' ' ' VAL . 85.6 t80 -128.13 136.15 50.76 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.466 1.104 . . . . 0.0 111.021 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 76.8 m -104.92 97.26 7.15 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.521 1.138 . . . . 0.0 110.387 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.464 0 O-C-N 124.496 1.123 . . . . 0.0 109.289 179.98 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 60.1 mt-10 . . . . . 0 N--CA 1.453 -0.294 0 N-CA-C 110.29 -0.263 . . . . 0.0 110.29 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.414 ' HB2' ' CA ' ' A' ' 52' ' ' GLY . 5.1 tp -113.64 146.7 39.36 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.517 1.136 . . . . 0.0 109.317 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 12.9 p -101.86 121.8 42.79 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.486 1.116 . . . . 0.0 110.011 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.451 HG23 ' CD1' ' A' ' 12' ' ' ILE . 34.7 m -134.03 168.63 23.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.473 1.108 . . . . 0.0 109.283 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.443 ' O ' ' CG2' ' A' ' 12' ' ' ILE . 4.8 mt -118.48 178.76 4.34 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.485 1.116 . . . . 0.0 109.291 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -85.49 147.0 26.67 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.483 1.114 . . . . 0.0 109.329 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 13.1 t70 74.68 5.84 4.45 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.567 1.167 . . . . 0.0 109.305 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -89.31 161.4 16.38 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.457 1.098 . . . . 0.0 110.31 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 55.0 t -129.95 109.54 17.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.47 1.106 . . . . 0.0 109.3 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.421 ' N ' HD21 ' A' ' 32' ' ' LEU . 3.1 mm? -100.32 163.76 12.24 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.51 1.131 . . . . 0.0 109.303 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 4.6 tt0 -97.09 130.53 44.36 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.526 1.141 . . . . 0.0 110.295 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . 0.462 ' HA ' ' CD1' ' A' ' 44' ' ' LEU . 11.7 p -82.14 132.21 31.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.444 1.09 . . . . 0.0 109.322 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.442 ' N ' HD12 ' A' ' 35' ' ' LEU . 7.3 mp -105.7 -52.47 2.81 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.454 1.096 . . . . 0.0 109.326 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 13.8 mm-40 -129.27 131.81 47.07 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.473 1.108 . . . . 0.0 110.298 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -132.25 172.86 11.89 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.482 1.114 . . . . 0.0 109.288 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 99.68 -10.11 60.69 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.505 1.128 . . . . 0.0 111.001 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -112.14 161.02 16.99 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.482 0.754 . . . . 0.0 110.289 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -40.62 -72.52 0.06 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.486 1.116 . . . . 0.0 110.277 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' TRP . . . . . 0.476 ' CE3' ' C ' ' A' ' 54' ' ' VAL . 16.6 m95 -88.72 133.79 34.12 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 0.0 107.976 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' TRP . . . . . 0.457 ' HB2' ' CD1' ' A' ' 59' ' ' LEU . 45.1 m0 -87.17 162.82 17.28 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.544 1.152 . . . . 0.0 108.01 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . 0.442 ' HB2' ' CE1' ' A' ' 53' ' ' TYR . 8.0 tttp -118.77 109.19 15.77 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.488 1.117 . . . . 0.0 109.26 -179.954 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.519 ' N ' ' CD2' ' A' ' 44' ' ' LEU . 0.0 OUTLIER -112.98 167.32 10.61 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.478 1.111 . . . . 0.0 109.307 179.96 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . 0.501 ' CG ' ' O ' ' A' ' 50' ' ' GLN . 16.8 ttp180 -130.74 126.89 37.58 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.464 1.102 . . . . 0.0 110.271 -179.914 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 63.9 p -68.16 159.63 30.67 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.488 1.118 . . . . 0.0 110.001 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 2.6 mmm-85 -61.05 -16.08 39.59 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.462 1.101 . . . . 0.0 110.317 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -77.55 -16.88 58.39 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.438 1.087 . . . . 0.0 109.951 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 108.98 -12.16 34.46 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.514 1.133 . . . . 0.0 110.968 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . 0.501 ' O ' ' CG ' ' A' ' 45' ' ' ARG . 0.2 OUTLIER -67.28 154.74 40.58 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.505 0.768 . . . . 0.0 110.309 -179.996 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -138.56 129.49 26.74 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.51 1.131 . . . . 0.0 109.303 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . 0.414 ' CA ' ' HB2' ' A' ' 24' ' ' LEU . . . -150.15 164.57 29.7 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.515 1.135 . . . . 0.0 110.978 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' TYR . . . . . 0.442 ' CE1' ' HB2' ' A' ' 43' ' ' LYS . 46.9 m-85 -94.1 152.6 18.65 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.472 0.748 . . . . 0.0 110.983 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . 0.506 ' CG2' ' CD2' ' A' ' 44' ' ' LEU . 0.0 OUTLIER -152.36 166.03 16.22 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.516 1.135 . . . . 0.0 109.274 -179.982 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 142.59 28.03 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.511 1.795 . . . . 0.0 110.979 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 31.9 p -81.54 0.14 39.45 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.471 1.107 . . . . 0.0 108.346 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 50.4 m-80 -71.7 -33.28 68.64 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.48 1.113 . . . . 0.0 109.293 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 11.1 pt -92.82 -22.14 5.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.552 1.158 . . . . 0.0 109.289 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . 0.457 ' CD1' ' HB2' ' A' ' 42' ' ' TRP . 82.2 mt -70.97 150.48 45.63 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.488 1.118 . . . . 0.0 109.292 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.967 0 O-C-N 124.508 1.13 . . . . 0.0 110.998 179.984 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . 0.436 ' HG2' ' CG1' ' A' ' 34' ' ' VAL . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.311 0 N-CA-C 109.31 -0.626 . . . . 0.0 109.31 . . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 65.6 m-85 -130.72 167.94 18.0 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.445 1.091 . . . . 0.0 111.005 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . 0.41 ' CG2' ' HB3' ' A' ' 59' ' ' LEU . 4.1 p -131.09 133.21 62.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.514 1.134 . . . . 0.0 109.34 179.935 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -99.8 127.2 45.96 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.467 1.104 . . . . 0.0 109.279 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . 0.491 ' CG2' ' O ' ' A' ' 14' ' ' TYR . 30.3 mm -71.23 115.58 11.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.465 1.103 . . . . 0.0 109.291 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 91.2 mt -81.25 -23.14 38.21 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.467 1.105 . . . . 0.0 109.294 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . 0.491 ' O ' ' CG2' ' A' ' 12' ' ' ILE . 95.5 m-85 -145.03 141.27 28.75 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.519 1.137 . . . . 0.0 111.003 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . 0.409 ' N ' ' HB2' ' A' ' 28' ' ' LYS . 2.1 p30 -67.11 119.2 11.64 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.506 1.129 . . . . 0.0 109.284 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . 0.467 ' CD2' HG12 ' A' ' 54' ' ' VAL . 61.1 t80 -116.06 146.4 42.23 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.482 1.114 . . . . 0.0 110.966 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 22.3 m -121.77 128.9 52.25 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.491 1.12 . . . . 0.0 110.352 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.549 1.156 . . . . 0.0 109.321 179.96 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 34.0 mt-10 . . . . . 0 N--CA 1.453 -0.298 0 N-CA-C 110.267 -0.272 . . . . 0.0 110.267 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.456 HD12 ' CA ' ' A' ' 51' ' ' ALA . 8.4 tp -122.3 140.85 52.16 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.521 1.138 . . . . 0.0 109.322 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 3.8 p -96.0 120.47 36.34 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.502 1.126 . . . . 0.0 110.024 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 26.9 m -141.84 164.4 18.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.549 1.156 . . . . 0.0 109.32 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.486 ' O ' ' CG2' ' A' ' 12' ' ' ILE . 12.5 mt -108.87 178.98 4.31 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.523 1.139 . . . . 0.0 109.263 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . 0.523 ' O ' ' CB ' ' A' ' 29' ' ' ASP . 25.4 tttt -88.0 141.74 28.34 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.517 1.136 . . . . 0.0 109.295 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . 0.523 ' CB ' ' O ' ' A' ' 28' ' ' LYS . 2.9 m-20 84.77 -10.08 0.85 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.51 1.131 . . . . 0.0 109.309 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -70.71 167.47 18.65 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.446 1.092 . . . . 0.0 110.336 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 73.6 t -134.32 112.09 15.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.54 1.15 . . . . 0.0 109.292 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.481 ' CD1' ' HA ' ' A' ' 46' ' ' SER . 3.3 mm? -104.59 168.75 8.88 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.513 1.133 . . . . 0.0 109.274 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 8.5 tt0 -99.83 132.13 45.37 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.452 1.095 . . . . 0.0 110.279 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . 0.439 ' HA ' ' CD1' ' A' ' 44' ' ' LEU . 14.4 p -89.51 132.49 34.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.464 1.102 . . . . 0.0 109.283 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -115.14 -48.42 2.82 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.499 1.124 . . . . 0.0 109.29 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -120.44 128.48 53.21 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.521 1.138 . . . . 0.0 110.295 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 2.3 p-10 -138.7 173.74 11.26 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.504 1.127 . . . . 0.0 109.303 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 99.37 -12.06 61.65 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.528 1.142 . . . . 0.0 110.999 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -110.23 164.4 12.69 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.537 0.786 . . . . 0.0 110.337 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 14.2 mm-40 -44.53 -62.47 1.18 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.469 1.106 . . . . 0.0 110.322 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' TRP . . . . . 0.416 ' CE3' ' C ' ' A' ' 54' ' ' VAL . 15.8 m95 -99.23 131.75 45.03 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.498 1.124 . . . . 0.0 107.974 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' TRP . . . . . 0.474 ' CE3' ' CD1' ' A' ' 59' ' ' LEU . 32.6 m0 -89.02 161.02 16.81 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.519 1.137 . . . . 0.0 107.992 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . 0.516 ' HD2' ' CZ ' ' A' ' 53' ' ' TYR . 17.4 tttt -112.69 99.64 8.09 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.504 1.127 . . . . 0.0 109.304 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.494 ' N ' ' CD2' ' A' ' 44' ' ' LEU . 0.1 OUTLIER -102.42 167.49 9.92 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.538 1.149 . . . . 0.0 109.284 -179.971 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 18.8 ttp180 -131.17 120.09 22.8 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.496 1.122 . . . . 0.0 110.3 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' SER . . . . . 0.481 ' HA ' ' CD1' ' A' ' 32' ' ' LEU . 1.2 t -67.92 136.37 53.88 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.486 1.116 . . . . 0.0 109.991 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -48.79 -21.38 0.62 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.497 1.123 . . . . 0.0 110.313 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' SER . . . . . 0.402 ' N ' ' C ' ' A' ' 46' ' ' SER . 0.6 OUTLIER -66.83 -25.15 66.29 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.494 1.121 . . . . 0.0 110.008 179.961 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 110.1 28.91 3.95 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.487 1.117 . . . . 0.0 110.987 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 6.3 mm100 -119.1 130.26 55.49 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.511 0.771 . . . . 0.0 110.346 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . 0.456 ' CA ' HD12 ' A' ' 24' ' ' LEU . . . -113.48 128.18 56.36 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.494 1.121 . . . . 0.0 109.269 -179.939 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -150.66 176.12 29.37 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.503 1.127 . . . . 0.0 111.017 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' TYR . . . . . 0.516 ' CZ ' ' HD2' ' A' ' 43' ' ' LYS . 49.9 m-85 -104.77 148.19 26.88 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.561 0.8 . . . . 0.0 111.005 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . 0.467 HG12 ' CD2' ' A' ' 16' ' ' PHE . 0.0 OUTLIER -151.46 165.91 16.34 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.489 1.118 . . . . 0.0 109.281 -179.978 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 143.32 28.94 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.462 1.77 . . . . 0.0 111.013 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 30.7 p -81.7 1.39 34.49 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.478 1.111 . . . . 0.0 108.305 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -74.29 -25.15 59.41 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.514 1.134 . . . . 0.0 109.296 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 25.9 pt -101.42 -19.52 5.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.469 1.106 . . . . 0.0 109.284 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . 0.474 ' CD1' ' CE3' ' A' ' 42' ' ' TRP . 96.4 mt -67.17 155.73 38.03 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.49 1.118 . . . . 0.0 109.322 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.029 0 O-C-N 124.483 1.114 . . . . 0.0 111.024 179.993 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 11.2 mttt . . . . . 0 N--CA 1.453 -0.289 0 N-CA-C 109.293 -0.632 . . . . 0.0 109.293 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 62.3 m-85 -142.42 175.45 9.77 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.516 1.135 . . . . 0.0 110.956 -179.945 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 9.6 p -134.68 144.03 36.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.505 1.128 . . . . 0.0 109.302 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . 0.472 ' CE ' ' HA ' ' A' ' 29' ' ' ASP . 0.0 OUTLIER -109.28 104.85 14.06 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.497 1.123 . . . . 0.0 109.311 179.994 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 44.9 mm -48.43 124.1 1.91 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.486 1.116 . . . . 0.0 109.261 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.421 ' HB2' ' CD1' ' A' ' 14' ' ' TYR . 67.8 mt -89.55 -33.32 16.77 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.494 1.121 . . . . 0.0 109.287 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . 0.421 ' CD1' ' HB2' ' A' ' 13' ' ' LEU . 37.0 m-85 -133.3 136.43 45.47 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.469 1.106 . . . . 0.0 110.983 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -62.52 113.89 3.22 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.497 1.123 . . . . 0.0 109.332 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . 0.566 ' CE2' HG12 ' A' ' 54' ' ' VAL . 60.5 t80 -108.98 139.39 43.91 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.504 1.127 . . . . 0.0 111.017 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 4.0 m -116.9 121.34 41.18 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.558 1.162 . . . . 0.0 110.375 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.512 0 O-C-N 124.493 1.12 . . . . 0.0 109.304 179.953 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 28.8 mt-10 . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 110.291 -0.263 . . . . 0.0 110.291 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.41 HD12 ' N ' ' A' ' 52' ' ' GLY . 3.5 tp -107.57 147.48 30.53 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.493 1.121 . . . . 0.0 109.342 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 3.0 p -104.06 115.95 31.35 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.501 1.125 . . . . 0.0 110.021 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 24.1 m -135.61 161.17 39.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.482 1.114 . . . . 0.0 109.307 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 1.6 mm? -106.91 179.03 4.38 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.521 1.138 . . . . 0.0 109.356 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . 0.417 ' O ' ' CB ' ' A' ' 29' ' ' ASP . 9.1 tttp -85.34 146.71 26.88 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.5 1.125 . . . . 0.0 109.288 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . 0.472 ' HA ' ' CE ' ' A' ' 11' ' ' LYS . 11.0 t0 76.0 10.78 3.12 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.506 1.129 . . . . 0.0 109.307 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -92.51 158.11 16.19 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.521 1.138 . . . . 0.0 110.299 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 55.8 t -125.95 111.12 25.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.523 1.14 . . . . 0.0 109.34 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.41 HD22 ' N ' ' A' ' 32' ' ' LEU . 2.9 mm? -104.11 176.9 5.0 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.49 1.119 . . . . 0.0 109.318 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 17.9 tt0 -108.88 130.42 55.43 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.497 1.123 . . . . 0.0 110.27 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . 0.457 ' HA ' ' CD1' ' A' ' 44' ' ' LEU . 14.7 p -83.49 129.28 37.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.508 1.13 . . . . 0.0 109.302 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.44 HD13 ' N ' ' A' ' 35' ' ' LEU . 7.1 mp -103.84 -55.85 2.31 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.549 1.156 . . . . 0.0 109.319 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 9.5 mm-40 -122.56 132.19 54.19 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.474 1.109 . . . . 0.0 110.289 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -131.5 172.56 12.07 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.474 1.109 . . . . 0.0 109.309 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 86.65 14.69 64.98 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.489 1.118 . . . . 0.0 111.032 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -127.06 158.26 37.46 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.484 0.755 . . . . 0.0 110.273 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 17.2 mt-30 -39.03 -60.7 0.84 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.55 1.156 . . . . 0.0 110.296 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' TRP . . . . . 0.567 ' CZ3' ' HD3' ' A' ' 55' ' ' PRO . 11.6 m95 -107.9 137.78 45.29 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.549 1.156 . . . . 0.0 107.995 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' TRP . . . . . 0.465 ' HB2' ' CD1' ' A' ' 59' ' ' LEU . 33.3 m0 -83.1 160.73 21.83 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 107.955 -1.128 . . . . 0.0 107.955 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . 0.571 ' HB2' ' CE1' ' A' ' 53' ' ' TYR . 4.8 tttt -122.96 107.79 12.22 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.513 1.133 . . . . 0.0 109.28 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.481 ' CD2' ' CG2' ' A' ' 54' ' ' VAL . 0.0 OUTLIER -108.28 167.17 10.21 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.487 1.117 . . . . 0.0 109.255 -179.979 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . 0.494 ' CG ' ' O ' ' A' ' 50' ' ' GLN . 19.4 ttm180 -138.66 116.95 11.9 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.528 1.143 . . . . 0.0 110.305 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 15.6 t -67.9 168.57 11.45 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.504 1.127 . . . . 0.0 109.998 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.64 -8.17 52.44 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.463 1.102 . . . . 0.0 110.281 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 2.5 p -85.0 7.68 20.47 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.442 1.089 . . . . 0.0 110.013 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 78.35 6.27 87.83 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.514 1.134 . . . . 0.0 111.004 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . 0.494 ' O ' ' CG ' ' A' ' 45' ' ' ARG . 0.2 OUTLIER -83.41 152.51 24.99 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.535 0.785 . . . . 0.0 110.283 -179.988 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -146.28 129.79 16.89 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.537 1.148 . . . . 0.0 109.251 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . 0.41 ' N ' HD12 ' A' ' 24' ' ' LEU . . . -150.23 174.74 29.56 Favored Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.5 1.125 . . . . 0.0 110.996 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' TYR . . . . . 0.571 ' CE1' ' HB2' ' A' ' 43' ' ' LYS . 38.4 m-85 -108.12 143.84 36.33 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.539 0.788 . . . . 0.0 110.991 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . 0.566 HG12 ' CE2' ' A' ' 16' ' ' PHE . 0.0 OUTLIER -146.35 163.97 27.12 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.49 1.119 . . . . 0.0 109.339 179.983 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' PRO . . . . . 0.567 ' HD3' ' CZ3' ' A' ' 41' ' ' TRP . 18.4 Cg_endo -74.99 143.25 28.89 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.502 1.791 . . . . 0.0 111.016 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 30.3 p -79.67 -2.31 42.21 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.463 1.102 . . . . 0.0 108.266 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 1.6 m-20 -68.18 -37.48 81.01 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.47 1.106 . . . . 0.0 109.298 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 7.7 pt -88.27 -24.08 6.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.452 1.095 . . . . 0.0 109.324 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . 0.465 ' CD1' ' HB2' ' A' ' 42' ' ' TRP . 70.1 mt -71.22 155.96 40.1 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.554 1.159 . . . . 0.0 109.281 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.995 0 O-C-N 124.494 1.122 . . . . 0.0 111.026 -179.961 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.989 0 N-CA-C 110.986 -0.846 . . . . 0.0 110.986 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 24.4 p -63.64 136.54 57.58 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.466 0.745 . . . . 0.0 110.024 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 5.6 t -92.99 -56.49 2.96 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.526 1.141 . . . . 0.0 109.975 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -117.82 148.12 18.66 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.512 1.132 . . . . 0.0 111.01 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 96.9 p -110.49 -18.9 13.11 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.452 0.736 . . . . 0.0 110.005 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 93.8 p -129.03 103.25 6.89 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.53 1.144 . . . . 0.0 109.971 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -122.37 -130.52 3.73 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.468 1.105 . . . . 0.0 111.01 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -132.47 169.83 16.0 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.532 0.783 . . . . 0.0 109.305 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 82.7 m-85 -145.98 169.82 17.87 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.532 1.145 . . . . 0.0 110.968 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 7.0 p -131.14 137.6 55.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.512 1.132 . . . . 0.0 109.296 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -104.22 109.59 21.47 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.498 1.124 . . . . 0.0 109.304 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 50.8 mm -52.42 138.25 11.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.457 1.098 . . . . 0.0 109.249 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 87.3 mt -103.09 -36.96 7.95 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.469 1.106 . . . . 0.0 109.326 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 57.7 m-85 -127.12 135.61 50.97 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.465 1.103 . . . . 0.0 110.997 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 1.5 p-10 -63.74 121.23 13.47 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.494 1.121 . . . . 0.0 109.263 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . 0.441 ' CD2' HG13 ' A' ' 54' ' ' VAL . 69.0 t80 -114.29 140.46 48.58 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.52 1.138 . . . . 0.0 111.0 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 30.8 m -112.12 96.36 5.99 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.51 1.131 . . . . 0.0 110.426 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -40.8 116.13 0.67 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.497 1.123 . . . . 0.0 109.295 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 14.2 mmm180 -70.98 -31.03 67.45 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.472 1.107 . . . . 0.0 110.302 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 40.9 m-80 -140.19 -176.15 4.5 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.467 1.104 . . . . 0.0 109.301 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -65.84 -49.5 67.94 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.504 1.127 . . . . 0.0 109.256 -179.918 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 1.9 p30 -46.13 -30.64 2.0 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.456 1.098 . . . . 0.0 109.309 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 29.3 mt-10 -91.86 153.24 19.67 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.518 1.136 . . . . 0.0 110.306 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 8.4 tp -109.43 138.26 46.05 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.54 1.15 . . . . 0.0 109.308 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 4.0 p -94.31 118.38 31.51 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.504 1.127 . . . . 0.0 109.99 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 34.5 m -128.86 175.16 10.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.497 1.123 . . . . 0.0 109.286 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 17.9 mt -125.93 178.89 5.47 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.441 1.088 . . . . 0.0 109.282 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.407 ' HG2' ' N ' ' A' ' 29' ' ' ASP . 1.4 tttt -82.69 141.49 32.4 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.529 1.143 . . . . 0.0 109.266 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . 0.407 ' N ' ' HG2' ' A' ' 28' ' ' LYS . 0.2 OUTLIER 73.21 26.3 2.13 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.548 1.155 . . . . 0.0 109.34 -179.993 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 8.7 mt-10 -105.23 158.48 16.57 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.471 1.107 . . . . 0.0 110.266 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 69.3 t -131.79 115.71 28.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.472 1.108 . . . . 0.0 109.306 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 2.1 mm? -105.78 179.11 4.37 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.494 1.121 . . . . 0.0 109.32 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 4.8 tt0 -107.08 112.81 25.91 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.519 1.137 . . . . 0.0 110.312 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.42 ' HA ' ' CD1' ' A' ' 44' ' ' LEU . 9.9 p -71.98 131.84 34.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.528 1.142 . . . . 0.0 109.339 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 4.2 mt -115.62 -44.84 2.93 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.525 1.14 . . . . 0.0 109.318 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -121.5 123.91 43.17 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.448 1.093 . . . . 0.0 110.313 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -129.03 176.64 7.73 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.459 1.1 . . . . 0.0 109.292 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 68.99 19.17 73.45 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.537 1.148 . . . . 0.0 110.953 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -127.9 163.43 24.46 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.531 0.783 . . . . 0.0 110.287 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 3.8 mt-30 -38.82 -68.41 0.16 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.456 1.097 . . . . 0.0 110.299 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' TRP . . . . . 0.57 ' CZ3' ' HD3' ' A' ' 55' ' ' PRO . 11.3 m0 -111.73 137.83 49.11 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.537 1.148 . . . . 0.0 107.999 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' TRP . . . . . 0.555 ' CE3' HD11 ' A' ' 59' ' ' LEU . 46.6 m0 -83.38 157.72 22.41 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.478 1.111 . . . . 0.0 108.01 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . 0.57 ' HB2' ' CE1' ' A' ' 53' ' ' TYR . 9.5 tttp -116.07 99.88 7.56 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.504 1.128 . . . . 0.0 109.322 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.479 ' CD2' ' CG2' ' A' ' 54' ' ' VAL . 0.3 OUTLIER -95.74 167.04 11.52 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.485 1.116 . . . . 0.0 109.354 -179.988 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 8.1 ttp180 -137.5 122.82 19.41 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.467 1.105 . . . . 0.0 110.321 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 9.7 t -73.32 168.91 18.22 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.546 1.154 . . . . 0.0 110.045 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 5.8 mmt85 -71.71 -16.87 62.24 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.494 1.121 . . . . 0.0 110.326 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 44.1 m -69.42 -23.53 63.71 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.488 1.118 . . . . 0.0 110.054 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 106.96 17.34 11.87 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.494 1.121 . . . . 0.0 110.943 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 1.7 mp0 -99.68 152.52 19.98 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.488 0.758 . . . . 0.0 110.249 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -140.2 131.26 26.28 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.484 1.115 . . . . 0.0 109.262 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -150.15 175.95 29.0 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.507 1.129 . . . . 0.0 111.011 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' TYR . . . . . 0.57 ' CE1' ' HB2' ' A' ' 43' ' ' LYS . 43.2 m-85 -105.22 143.08 33.89 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.496 0.762 . . . . 0.0 111.005 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . 0.489 ' C ' ' CE3' ' A' ' 41' ' ' TRP . 0.0 OUTLIER -144.57 164.06 30.42 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.503 1.127 . . . . 0.0 109.275 -179.976 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . 0.57 ' HD3' ' CZ3' ' A' ' 41' ' ' TRP . 18.3 Cg_endo -74.97 142.46 27.98 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.537 1.809 . . . . 0.0 110.993 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 24.4 p -79.37 -4.45 51.05 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.505 1.128 . . . . 0.0 108.251 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 2.1 t30 -66.36 -38.28 87.23 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.539 1.15 . . . . 0.0 109.292 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 13.5 pt -87.5 -23.68 6.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.55 1.156 . . . . 0.0 109.363 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . 0.555 HD11 ' CE3' ' A' ' 42' ' ' TRP . 84.4 mt -64.48 163.03 14.12 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.522 1.139 . . . . 0.0 109.282 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -163.33 153.42 23.9 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.439 1.087 . . . . 0.0 111.04 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -64.45 129.96 41.88 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.497 0.763 . . . . 0.0 110.297 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -104.22 126.62 51.48 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.554 1.159 . . . . 0.0 109.303 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 93.7 p -143.17 160.21 40.86 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.493 1.12 . . . . 0.0 109.998 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -118.37 163.55 13.01 Favored Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.52 1.138 . . . . 0.0 111.037 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 -53.57 0.1 OUTLIER 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.497 1.788 . . . . 0.0 110.99 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 7.6 m -125.2 94.97 4.32 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.528 1.142 . . . . 0.0 109.998 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 13.8 p -170.96 99.21 0.22 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.511 1.132 . . . . 0.0 109.982 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.998 0 O-C-N 124.5 1.125 . . . . 0.0 110.999 179.978 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.957 0 N-CA-C 110.98 -0.848 . . . . 0.0 110.98 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 78.9 p -169.34 148.99 3.98 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.444 0.732 . . . . 0.0 109.993 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.6 t 74.63 -58.8 0.57 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.449 1.093 . . . . 0.0 110.032 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -108.05 80.52 0.27 Allowed Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.492 1.12 . . . . 0.0 110.979 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 42.3 t -147.16 123.43 10.9 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.519 0.776 . . . . 0.0 110.017 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 23.8 p -177.6 162.02 1.76 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.471 1.107 . . . . 0.0 109.968 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 171.49 146.13 5.13 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.503 1.127 . . . . 0.0 111.019 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.29 162.0 24.8 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.479 0.752 . . . . 0.0 109.322 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 48.4 m-85 -138.08 158.56 44.07 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.516 1.135 . . . . 0.0 111.005 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 7.1 p -124.99 141.79 43.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.485 1.116 . . . . 0.0 109.314 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 9.3 tttt -107.43 121.76 45.26 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.527 1.142 . . . . 0.0 109.287 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.482 ' CG2' ' O ' ' A' ' 14' ' ' TYR . 25.3 mm -66.83 120.67 14.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.502 1.126 . . . . 0.0 109.291 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 95.9 mt -84.19 -25.45 29.53 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.523 1.14 . . . . 0.0 109.298 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . 0.482 ' O ' ' CG2' ' A' ' 12' ' ' ILE . 74.1 m-85 -143.53 144.27 31.89 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.519 1.137 . . . . 0.0 111.034 179.943 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . 0.421 ' CB ' HD22 ' A' ' 27' ' ' LEU . 5.5 p30 -67.37 130.81 44.25 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.495 1.122 . . . . 0.0 109.281 -179.934 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . 0.515 ' CD2' HG12 ' A' ' 54' ' ' VAL . 76.4 t80 -127.2 143.34 51.27 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.51 1.131 . . . . 0.0 111.0 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' THR . . . . . 0.402 ' O ' ' C ' ' A' ' 18' ' ' ALA . 24.2 m -119.12 111.26 18.04 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.487 1.117 . . . . 0.0 110.39 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . 0.402 ' C ' ' O ' ' A' ' 17' ' ' THR . . . -40.42 114.87 0.5 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.525 1.141 . . . . 0.0 109.325 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 28.0 mmt-85 -90.46 -19.33 24.0 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.542 1.151 . . . . 0.0 110.32 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -125.32 -173.83 2.91 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.121 . . . . 0.0 109.316 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -86.39 -27.27 24.31 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.467 1.104 . . . . 0.0 109.289 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 14.7 m-80 -93.87 40.99 1.08 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.456 1.098 . . . . 0.0 109.355 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 23.3 mt-10 -140.85 160.87 39.12 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.488 1.117 . . . . 0.0 110.336 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.422 HD13 ' N ' ' A' ' 52' ' ' GLY . 2.0 tp -115.26 151.72 34.01 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.497 1.123 . . . . 0.0 109.298 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 4.9 p -108.63 118.04 35.74 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.554 1.159 . . . . 0.0 110.0 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 15.8 m -133.41 167.05 27.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.442 1.089 . . . . 0.0 109.3 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.421 HD22 ' CB ' ' A' ' 15' ' ' ASP . 27.4 mt -117.52 179.12 4.15 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.463 1.102 . . . . 0.0 109.267 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.438 ' O ' ' CB ' ' A' ' 29' ' ' ASP . 2.8 tttt -80.13 141.03 36.14 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.495 1.122 . . . . 0.0 109.293 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . 0.438 ' CB ' ' O ' ' A' ' 28' ' ' LYS . 12.0 t0 77.07 28.61 0.63 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.531 1.144 . . . . 0.0 109.339 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 14.2 mt-10 -109.65 162.19 14.66 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.523 1.139 . . . . 0.0 110.297 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 69.8 t -134.02 125.81 49.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.531 1.144 . . . . 0.0 109.315 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 2.3 mm? -115.43 178.45 4.29 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.122 . . . . 0.0 109.339 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . 0.466 ' HG2' ' CD2' ' A' ' 35' ' ' LEU . 3.5 tt0 -109.47 102.62 11.47 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.482 1.114 . . . . 0.0 110.306 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 12.5 p -71.24 125.36 29.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.484 1.115 . . . . 0.0 109.278 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.466 ' CD2' ' HG2' ' A' ' 33' ' ' GLU . 0.3 OUTLIER -108.03 -42.95 4.53 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.488 1.117 . . . . 0.0 109.268 -179.977 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -118.41 127.2 53.45 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.517 1.136 . . . . 0.0 110.284 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 6.0 p-10 -137.85 174.8 10.19 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.486 1.116 . . . . 0.0 109.326 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 95.5 -12.17 67.97 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.482 1.114 . . . . 0.0 111.003 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -108.77 161.76 14.81 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.539 0.788 . . . . 0.0 110.293 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 7.6 tt0 -43.34 -65.88 0.44 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.487 1.117 . . . . 0.0 110.261 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' TRP . . . . . 0.555 ' CE3' ' C ' ' A' ' 54' ' ' VAL . 22.4 m95 -96.34 133.85 40.21 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.511 1.132 . . . . 0.0 108.034 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' TRP . . . . . 0.419 ' CE3' HD12 ' A' ' 59' ' ' LEU . 31.6 m0 -94.49 164.48 12.97 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.49 1.119 . . . . 0.0 107.999 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . 0.41 ' HB2' ' CE1' ' A' ' 53' ' ' TYR . 14.9 tttt -116.42 99.72 7.38 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.504 1.128 . . . . 0.0 109.345 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.453 ' CD2' ' CG2' ' A' ' 54' ' ' VAL . 0.4 OUTLIER -94.78 167.16 11.61 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.53 1.144 . . . . 0.0 109.307 -179.993 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 60.2 ttp85 -144.29 114.55 7.48 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.497 1.123 . . . . 0.0 110.275 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -72.38 160.48 32.27 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.535 1.147 . . . . 0.0 110.017 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.26 -18.3 25.62 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.497 1.123 . . . . 0.0 110.315 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 1.3 m -70.19 -6.94 37.96 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.535 1.147 . . . . 0.0 109.999 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 91.9 -16.74 58.71 Favored Glycine 0 CA--C 1.529 0.935 0 O-C-N 124.501 1.126 . . . . 0.0 110.974 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 1.6 mp0 -65.02 153.08 41.77 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.44 0.729 . . . . 0.0 110.318 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -145.65 129.31 17.12 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.546 1.154 . . . . 0.0 109.266 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . 0.422 ' N ' HD13 ' A' ' 24' ' ' LEU . . . -150.24 165.95 29.96 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.47 1.106 . . . . 0.0 110.99 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' TYR . . . . . 0.41 ' CE1' ' HB2' ' A' ' 43' ' ' LYS . 47.9 m-85 -93.96 147.71 22.84 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.49 0.759 . . . . 0.0 111.009 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . 0.555 ' C ' ' CE3' ' A' ' 41' ' ' TRP . 0.0 OUTLIER -148.39 166.33 15.87 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.469 1.105 . . . . 0.0 109.298 179.978 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 143.21 28.87 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.501 1.79 . . . . 0.0 110.988 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 14.4 p -79.36 -2.0 39.59 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.518 1.136 . . . . 0.0 108.34 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 4.2 m120 -70.02 -34.19 72.96 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.476 1.11 . . . . 0.0 109.335 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 16.8 pt -92.45 -19.3 6.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.505 1.128 . . . . 0.0 109.28 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . 0.419 HD12 ' CE3' ' A' ' 42' ' ' TRP . 98.1 mt -71.4 154.29 41.66 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.528 1.143 . . . . 0.0 109.276 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -146.86 133.69 4.92 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.465 1.103 . . . . 0.0 111.033 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -60.81 108.85 0.91 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.502 0.766 . . . . 0.0 110.288 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -98.39 118.09 34.28 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.519 1.137 . . . . 0.0 109.294 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 53.7 p -51.27 157.07 1.02 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.464 1.102 . . . . 0.0 110.003 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -99.42 160.07 19.82 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.54 1.15 . . . . 0.0 110.986 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 156.0 42.97 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.488 1.783 . . . . 0.0 110.994 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -177.08 87.61 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.485 1.115 . . . . 0.0 110.015 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 22.1 t -149.87 108.72 3.87 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.527 1.142 . . . . 0.0 110.031 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.034 0 O-C-N 124.484 1.115 . . . . 0.0 110.984 -179.998 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.004 0 N-CA-C 111.044 -0.822 . . . . 0.0 111.044 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -156.86 -58.89 0.09 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.524 0.779 . . . . 0.0 109.97 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -145.87 103.9 3.8 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.502 1.126 . . . . 0.0 110.035 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -171.47 72.43 0.11 Allowed Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.487 1.117 . . . . 0.0 110.951 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.8 t -175.17 139.28 0.46 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.561 0.8 . . . . 0.0 109.968 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 74.7 -59.1 0.56 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.561 1.163 . . . . 0.0 109.972 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -37.78 148.24 0.08 OUTLIER Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.505 1.128 . . . . 0.0 111.022 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -128.78 167.6 17.08 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.506 0.768 . . . . 0.0 109.292 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . 0.47 ' CE1' ' HG3' ' A' ' 33' ' ' GLU . 89.5 m-85 -146.41 167.4 23.7 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.473 1.108 . . . . 0.0 111.009 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 9.4 p -134.76 139.02 48.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.53 1.144 . . . . 0.0 109.299 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.448 ' CE ' ' HA ' ' A' ' 29' ' ' ASP . 5.5 tttt -99.38 122.68 42.85 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.477 1.111 . . . . 0.0 109.327 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 48.1 mm -67.86 123.14 20.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.531 1.145 . . . . 0.0 109.286 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 88.3 mt -88.21 -28.29 21.25 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.464 1.103 . . . . 0.0 109.311 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 74.3 m-85 -138.85 138.07 37.15 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.461 1.101 . . . . 0.0 110.986 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -63.42 121.18 13.17 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.54 1.15 . . . . 0.0 109.352 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . 0.521 ' CD2' HG12 ' A' ' 54' ' ' VAL . 56.8 t80 -121.08 141.42 50.8 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.499 1.125 . . . . 0.0 111.017 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' THR . . . . . 0.4 ' O ' ' C ' ' A' ' 18' ' ' ALA . 20.6 m -122.31 114.98 21.53 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.539 1.149 . . . . 0.0 110.366 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . 0.4 ' C ' ' O ' ' A' ' 17' ' ' THR . . . -40.28 115.11 0.51 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.527 1.142 . . . . 0.0 109.288 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 15.8 mmt85 -88.6 -15.87 33.97 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.492 1.12 . . . . 0.0 110.296 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -132.99 -173.16 3.11 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.53 1.143 . . . . 0.0 109.297 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -81.17 -28.89 34.83 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.49 1.119 . . . . 0.0 109.29 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 3.4 m120 -93.7 41.39 1.08 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.558 1.161 . . . . 0.0 109.259 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 15.9 mt-10 -143.68 150.81 39.24 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.51 1.131 . . . . 0.0 110.334 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.455 HD11 ' CA ' ' A' ' 51' ' ' ALA . 5.5 tp -111.29 138.93 47.14 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.439 1.087 . . . . 0.0 109.299 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 11.1 m -97.56 123.32 41.39 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.481 1.113 . . . . 0.0 110.015 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.45 ' CG1' HD22 ' A' ' 32' ' ' LEU . 27.5 m -132.85 172.24 16.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.507 1.129 . . . . 0.0 109.294 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 4.6 mt -119.87 179.09 4.36 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.493 1.121 . . . . 0.0 109.285 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.43 ' O ' ' CB ' ' A' ' 29' ' ' ASP . 13.3 tttm -82.67 141.81 32.18 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.464 1.102 . . . . 0.0 109.302 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . 0.448 ' HA ' ' CE ' ' A' ' 11' ' ' LYS . 2.2 m-20 77.0 9.21 2.8 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.505 1.128 . . . . 0.0 109.355 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 4.2 mt-10 -96.84 149.36 21.94 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.487 1.117 . . . . 0.0 110.31 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 75.8 t -122.49 127.86 75.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.544 1.153 . . . . 0.0 109.27 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.45 HD22 ' CG1' ' A' ' 26' ' ' VAL . 2.7 mm? -110.71 177.53 4.65 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.422 1.076 . . . . 0.0 109.321 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . 0.47 ' HG3' ' CE1' ' A' ' 9' ' ' TYR . 2.7 tt0 -102.9 114.8 29.38 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.465 1.103 . . . . 0.0 110.288 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 10.1 p -80.33 129.66 37.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.472 1.107 . . . . 0.0 109.289 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -116.56 -44.91 2.83 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.538 1.149 . . . . 0.0 109.288 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -119.58 124.93 47.58 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.478 1.111 . . . . 0.0 110.34 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 1.7 p-10 -136.62 177.08 8.13 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.53 1.144 . . . . 0.0 109.281 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 77.62 16.01 80.68 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.549 1.156 . . . . 0.0 111.001 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -128.0 166.06 19.09 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.488 0.758 . . . . 0.0 110.271 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -38.82 -67.77 0.19 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.518 1.136 . . . . 0.0 110.299 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' TRP . . . . . 0.534 ' CZ3' ' HD3' ' A' ' 55' ' ' PRO . 11.2 m0 -111.02 138.64 47.18 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.491 1.119 . . . . 0.0 107.999 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 46.6 m0 -83.41 158.95 21.91 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.522 1.139 . . . . 0.0 107.97 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . 0.566 ' HB2' ' CE1' ' A' ' 53' ' ' TYR . 2.9 tttt -116.71 99.96 7.49 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.457 1.098 . . . . 0.0 109.321 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.499 ' CD2' ' CG2' ' A' ' 54' ' ' VAL . 0.2 OUTLIER -98.28 166.2 11.5 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.519 1.137 . . . . 0.0 109.257 -179.956 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . 0.443 ' CG ' ' O ' ' A' ' 50' ' ' GLN . 24.5 ttp180 -134.32 126.63 30.11 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.552 1.158 . . . . 0.0 110.269 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 9.6 p -75.0 169.82 17.24 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.522 1.139 . . . . 0.0 110.001 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.89 -4.82 37.29 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.529 1.143 . . . . 0.0 110.306 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -92.91 15.64 14.41 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.528 1.142 . . . . 0.0 110.042 179.946 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 71.23 13.94 73.71 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.475 1.109 . . . . 0.0 110.997 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . 0.443 ' O ' ' CG ' ' A' ' 45' ' ' ARG . 84.8 mm-40 -91.02 151.6 20.98 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.488 0.757 . . . . 0.0 110.322 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . 0.455 ' CA ' HD11 ' A' ' 24' ' ' LEU . . . -141.92 130.58 22.74 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.533 1.146 . . . . 0.0 109.308 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . 0.427 ' CA ' ' HB2' ' A' ' 24' ' ' LEU . . . -150.04 168.1 30.07 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.506 1.129 . . . . 0.0 111.039 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' TYR . . . . . 0.566 ' CE1' ' HB2' ' A' ' 43' ' ' LYS . 46.5 m-85 -100.05 144.94 28.5 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.519 0.776 . . . . 0.0 111.045 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . 0.521 HG12 ' CD2' ' A' ' 16' ' ' PHE . 0.0 OUTLIER -147.78 165.1 19.52 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.51 1.131 . . . . 0.0 109.303 -179.952 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . 0.534 ' HD3' ' CZ3' ' A' ' 41' ' ' TRP . 18.2 Cg_endo -74.96 139.65 24.65 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.512 1.796 . . . . 0.0 111.047 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 31.2 p -77.02 -5.48 48.91 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.473 1.108 . . . . 0.0 108.318 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 2.6 m120 -64.19 -45.52 87.95 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.468 1.105 . . . . 0.0 109.289 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 10.3 pt -79.31 -26.17 12.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.54 1.15 . . . . 0.0 109.329 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 73.8 mt -67.94 156.02 38.17 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.473 1.108 . . . . 0.0 109.297 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -134.61 -158.68 8.52 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.466 1.104 . . . . 0.0 111.007 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 4.3 mt-10 -119.96 110.72 17.04 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.534 0.785 . . . . 0.0 110.294 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -99.74 145.99 27.05 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.443 1.089 . . . . 0.0 109.37 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -65.56 168.74 7.02 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.533 1.146 . . . . 0.0 110.008 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -177.11 -176.59 45.36 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.509 1.131 . . . . 0.0 110.96 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.92 81.73 2.13 Favored 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.486 1.782 . . . . 0.0 111.027 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -142.13 -58.97 0.46 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.48 1.112 . . . . 0.0 109.988 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -116.25 120.9 40.42 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.478 1.112 . . . . 0.0 110.029 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.021 0 O-C-N 124.496 1.123 . . . . 0.0 110.957 -179.973 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.015 0 N-CA-C 111.008 -0.837 . . . . 0.0 111.008 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -91.8 -58.35 2.44 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.462 0.742 . . . . 0.0 110.011 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.6 m 58.1 80.55 0.17 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.486 1.116 . . . . 0.0 109.991 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 159.32 -64.98 0.29 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.512 1.133 . . . . 0.0 110.958 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -85.85 109.48 18.73 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.514 0.773 . . . . 0.0 110.007 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 75.3 m -98.27 94.28 6.69 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.492 1.12 . . . . 0.0 109.988 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -85.05 122.58 5.97 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.497 1.123 . . . . 0.0 110.988 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 1.2 tttt -110.54 158.47 18.5 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.462 0.742 . . . . 0.0 109.33 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . 0.556 ' CE1' ' HG3' ' A' ' 33' ' ' GLU . 85.1 m-85 -137.49 161.64 35.84 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.526 1.142 . . . . 0.0 110.98 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 9.8 p -129.52 138.91 53.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.526 1.141 . . . . 0.0 109.265 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.46 ' HG3' ' CG2' ' A' ' 31' ' ' VAL . 0.5 OUTLIER -103.35 113.11 26.34 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.466 1.104 . . . . 0.0 109.3 179.96 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.408 ' CG2' ' O ' ' A' ' 14' ' ' TYR . 45.7 mm -58.42 121.14 5.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.508 1.13 . . . . 0.0 109.295 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 88.8 mt -84.83 -23.19 29.17 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.496 1.123 . . . . 0.0 109.297 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . 0.408 ' O ' ' CG2' ' A' ' 12' ' ' ILE . 81.2 m-85 -149.84 141.66 23.72 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.509 1.131 . . . . 0.0 110.998 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 2.3 p30 -62.27 138.67 58.47 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.486 1.116 . . . . 0.0 109.288 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . 0.562 ' CD2' HG12 ' A' ' 54' ' ' VAL . 90.6 t80 -132.51 143.77 49.98 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.446 1.091 . . . . 0.0 111.038 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 18.8 m -113.63 111.16 21.39 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.466 1.104 . . . . 0.0 110.406 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -56.33 113.58 1.63 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.464 1.102 . . . . 0.0 109.326 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 26.3 mmm-85 -79.25 -17.29 55.02 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.501 1.126 . . . . 0.0 110.324 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 23.7 m-80 -134.75 178.94 6.62 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.46 1.1 . . . . 0.0 109.301 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -78.39 -36.94 45.17 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.497 1.123 . . . . 0.0 109.318 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 2.7 m-20 -64.02 -14.43 54.13 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.559 1.162 . . . . 0.0 109.345 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -97.73 158.89 15.26 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.475 1.11 . . . . 0.0 110.305 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.47 ' HB2' ' CA ' ' A' ' 52' ' ' GLY . 4.9 tp -115.87 140.63 49.04 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.499 1.124 . . . . 0.0 109.282 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -98.8 124.02 43.42 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.545 1.153 . . . . 0.0 110.041 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.447 ' CG1' HD22 ' A' ' 32' ' ' LEU . 15.8 m -137.53 171.88 15.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.523 1.139 . . . . 0.0 109.309 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 6.3 mt -120.88 179.18 4.44 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.516 1.135 . . . . 0.0 109.319 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.466 ' O ' ' CB ' ' A' ' 29' ' ' ASP . 7.4 tttt -82.49 144.13 30.64 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.561 1.163 . . . . 0.0 109.261 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . 0.466 ' CB ' ' O ' ' A' ' 28' ' ' LYS . 2.5 m-20 79.0 3.79 2.39 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.538 1.149 . . . . 0.0 109.298 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -93.9 153.13 18.4 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.466 1.104 . . . . 0.0 110.309 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.46 ' CG2' ' HG3' ' A' ' 11' ' ' LYS . 56.5 t -126.01 128.43 71.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.548 1.155 . . . . 0.0 109.285 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.447 HD22 ' CG1' ' A' ' 26' ' ' VAL . 2.9 mm? -112.53 175.93 5.23 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.504 1.127 . . . . 0.0 109.289 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . 0.556 ' HG3' ' CE1' ' A' ' 9' ' ' TYR . 2.8 tt0 -103.17 110.76 22.83 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.516 1.135 . . . . 0.0 110.317 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.451 ' HA ' ' CD1' ' A' ' 44' ' ' LEU . 6.5 p -75.96 131.2 35.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.534 1.146 . . . . 0.0 109.299 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 1.6 mt -113.86 -43.32 3.28 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.498 1.124 . . . . 0.0 109.302 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -123.93 128.5 49.52 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.464 1.103 . . . . 0.0 110.293 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 1.6 p-10 -137.61 172.09 13.48 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.519 1.137 . . . . 0.0 109.309 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 91.39 11.67 60.68 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.504 1.128 . . . . 0.0 111.04 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . 0.401 ' O ' ' C ' ' A' ' 40' ' ' GLN . 22.4 ttp85 -127.93 163.78 23.73 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.486 0.756 . . . . 0.0 110.289 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . 0.401 ' C ' ' O ' ' A' ' 39' ' ' ARG . 4.2 mt-30 -38.85 -62.11 0.66 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.535 1.147 . . . . 0.0 110.282 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' TRP . . . . . 0.557 ' CZ3' ' HD3' ' A' ' 55' ' ' PRO . 11.2 m0 -112.71 135.54 53.33 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.525 1.141 . . . . 0.0 107.973 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' TRP . . . . . 0.557 ' CE3' HD13 ' A' ' 59' ' ' LEU . 36.1 m0 -84.99 162.85 19.21 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 108.002 -1.11 . . . . 0.0 108.002 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . 0.401 ' HB2' ' CE1' ' A' ' 53' ' ' TYR . 24.0 tttt -113.93 100.04 8.12 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.539 1.149 . . . . 0.0 109.304 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.531 ' N ' ' CD2' ' A' ' 44' ' ' LEU . 0.5 OUTLIER -96.68 166.82 11.48 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.537 1.148 . . . . 0.0 109.305 -179.983 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . 0.499 ' CG ' ' O ' ' A' ' 50' ' ' GLN . 14.9 ttp180 -135.02 130.88 36.39 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.505 1.128 . . . . 0.0 110.291 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 55.4 p -75.02 169.73 17.42 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.498 1.124 . . . . 0.0 110.021 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.44 -5.84 39.45 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.501 1.126 . . . . 0.0 110.318 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 3.9 m -91.04 -2.59 57.63 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.507 1.129 . . . . 0.0 109.993 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 95.16 -7.76 69.55 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.486 1.116 . . . . 0.0 111.0 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . 0.499 ' O ' ' CG ' ' A' ' 45' ' ' ARG . 0.6 OUTLIER -69.38 154.15 42.47 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.539 0.788 . . . . 0.0 110.338 179.989 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -143.83 129.96 19.67 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.455 1.097 . . . . 0.0 109.36 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . 0.47 ' CA ' ' HB2' ' A' ' 24' ' ' LEU . . . -150.0 161.3 28.84 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.483 1.115 . . . . 0.0 110.982 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' TYR . . . . . 0.401 ' CE1' ' HB2' ' A' ' 43' ' ' LYS . 54.4 m-85 -89.23 152.11 21.77 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.511 0.771 . . . . 0.0 111.026 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . 0.562 HG12 ' CD2' ' A' ' 16' ' ' PHE . 0.0 OUTLIER -151.38 162.39 26.9 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.523 1.139 . . . . 0.0 109.295 -179.983 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . 0.557 ' HD3' ' CZ3' ' A' ' 41' ' ' TRP . 18.2 Cg_endo -75.05 143.88 29.41 Favored 'Trans proline' 0 C--N 1.361 1.202 0 O-C-N 124.49 1.784 . . . . 0.0 110.992 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 26.3 p -81.95 1.2 36.47 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.5 1.125 . . . . 0.0 108.301 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 27.3 t-20 -71.77 -21.65 61.7 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.467 1.104 . . . . 0.0 109.278 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 8.0 pt -108.09 -15.54 9.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.441 1.088 . . . . 0.0 109.321 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . 0.557 HD13 ' CE3' ' A' ' 42' ' ' TRP . 94.6 mt -71.22 154.44 41.67 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.516 1.135 . . . . 0.0 109.314 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -149.65 135.49 5.33 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.514 1.134 . . . . 0.0 111.009 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 4.6 mt-10 -61.0 113.65 2.66 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.514 0.773 . . . . 0.0 110.269 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -98.49 160.38 14.32 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.488 1.118 . . . . 0.0 109.331 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -66.74 154.05 41.71 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.555 1.16 . . . . 0.0 110.019 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -87.53 168.17 37.88 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.496 1.123 . . . . 0.0 111.024 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 76.07 3.52 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.458 1.767 . . . . 0.0 110.967 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -62.55 -58.32 7.97 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.502 1.127 . . . . 0.0 110.011 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 57.3 p -160.21 115.33 2.3 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.475 1.11 . . . . 0.0 110.033 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.017 0 O-C-N 124.523 1.139 . . . . 0.0 110.977 -179.965 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.987 0 N-CA-C 111.002 -0.839 . . . . 0.0 111.002 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 31.1 p -91.74 -57.85 2.61 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.507 0.769 . . . . 0.0 109.965 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.4 t -78.96 145.72 33.84 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.451 1.095 . . . . 0.0 109.978 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 84.74 106.38 0.63 Allowed Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.519 1.137 . . . . 0.0 111.004 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -158.02 106.54 2.02 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.467 0.745 . . . . 0.0 110.022 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 30.8 t 63.1 158.47 0.07 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.51 1.131 . . . . 0.0 109.956 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 170.69 -140.64 6.08 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.495 1.122 . . . . 0.0 110.995 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -86.64 155.68 20.32 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.473 0.749 . . . . 0.0 109.282 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 81.2 m-85 -144.31 171.69 13.97 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.494 1.121 . . . . 0.0 111.003 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 4.7 p -131.45 134.98 60.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.521 1.138 . . . . 0.0 109.29 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -98.82 125.98 44.35 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.504 1.128 . . . . 0.0 109.296 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.444 ' CG2' ' O ' ' A' ' 14' ' ' TYR . 47.2 mm -71.72 118.54 16.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.503 1.127 . . . . 0.0 109.349 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 72.0 mt -83.2 -21.6 33.41 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.424 1.078 . . . . 0.0 109.316 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . 0.444 ' O ' ' CG2' ' A' ' 12' ' ' ILE . 84.0 m-85 -149.44 140.13 22.64 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.442 1.089 . . . . 0.0 110.977 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 2.5 p-10 -66.0 135.49 54.76 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.508 1.13 . . . . 0.0 109.299 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . 0.509 ' CD2' HG11 ' A' ' 54' ' ' VAL . 62.3 t80 -126.71 145.42 50.6 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.509 1.13 . . . . 0.0 111.02 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 18.7 m -113.87 99.92 8.04 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.491 1.119 . . . . 0.0 110.376 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -42.33 114.8 0.61 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.448 1.092 . . . . 0.0 109.307 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 19.5 mmm180 -73.51 -30.18 62.95 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.481 1.113 . . . . 0.0 110.312 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 63.8 m-80 -130.15 -176.57 3.98 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.528 1.143 . . . . 0.0 109.342 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -76.32 -41.16 49.4 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.502 1.126 . . . . 0.0 109.295 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 1.3 m120 -56.9 -18.49 13.45 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.485 1.116 . . . . 0.0 109.305 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 63.7 mt-10 -97.4 159.77 14.72 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.454 1.096 . . . . 0.0 110.312 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.47 ' HB2' ' CA ' ' A' ' 52' ' ' GLY . 4.6 tp -116.47 139.84 50.01 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.497 1.123 . . . . 0.0 109.275 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -96.33 122.2 38.95 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.538 1.149 . . . . 0.0 110.033 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.425 ' CG1' HD22 ' A' ' 32' ' ' LEU . 16.9 m -133.04 171.76 17.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 O-C-N 124.526 1.141 . . . . 0.0 109.304 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.435 ' O ' ' CG2' ' A' ' 12' ' ' ILE . 12.5 mt -118.11 179.07 4.2 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.539 1.149 . . . . 0.0 109.295 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.497 ' O ' ' CB ' ' A' ' 29' ' ' ASP . 0.4 OUTLIER -82.79 140.41 33.0 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.493 1.12 . . . . 0.0 109.309 179.971 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . 0.497 ' CB ' ' O ' ' A' ' 28' ' ' LYS . 2.1 t70 81.87 -3.67 1.54 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.504 1.127 . . . . 0.0 109.272 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 7.2 mt-10 -82.59 149.79 27.25 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.5 1.125 . . . . 0.0 110.3 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 89.1 t -123.17 125.56 72.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.5 1.125 . . . . 0.0 109.32 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.425 HD22 ' CG1' ' A' ' 26' ' ' VAL . 3.0 mm? -109.93 177.73 4.63 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.46 1.1 . . . . 0.0 109.289 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . 0.421 ' HG2' ' CD2' ' A' ' 35' ' ' LEU . 5.3 tt0 -104.89 121.68 44.21 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.462 1.101 . . . . 0.0 110.339 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 10.0 p -78.85 132.45 32.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.511 1.132 . . . . 0.0 109.266 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.421 ' CD2' ' HG2' ' A' ' 33' ' ' GLU . 0.3 OUTLIER -119.86 -42.41 2.61 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.533 1.146 . . . . 0.0 109.305 179.994 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -129.1 124.04 33.76 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.52 1.137 . . . . 0.0 110.285 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -134.7 174.99 9.96 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.51 1.131 . . . . 0.0 109.28 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 89.12 9.98 66.81 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.51 1.131 . . . . 0.0 110.992 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . 0.401 ' O ' ' C ' ' A' ' 40' ' ' GLN . 0.0 OUTLIER -126.65 165.03 19.98 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.504 0.767 . . . . 0.0 110.264 -179.962 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . 0.401 ' C ' ' O ' ' A' ' 39' ' ' ARG . 0.1 OUTLIER -38.93 -68.85 0.14 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.443 1.089 . . . . 0.0 110.229 179.99 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' TRP . . . . . 0.451 ' CZ3' ' HD3' ' A' ' 55' ' ' PRO . 10.8 m0 -105.61 134.89 47.98 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 108.0 -1.111 . . . . 0.0 108.0 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' TRP . . . . . 0.463 ' CE3' HD12 ' A' ' 59' ' ' LEU . 34.0 m0 -84.06 157.21 21.87 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 107.994 -1.113 . . . . 0.0 107.994 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . 0.503 ' HB2' ' CE1' ' A' ' 53' ' ' TYR . 9.8 tttp -110.53 99.81 8.73 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.531 1.144 . . . . 0.0 109.315 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.55 ' N ' ' CD2' ' A' ' 44' ' ' LEU . 0.6 OUTLIER -97.19 167.02 11.29 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.495 1.122 . . . . 0.0 109.302 -179.998 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 10.2 ttp180 -132.23 132.01 42.67 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.531 1.145 . . . . 0.0 110.336 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' SER . . . . . 0.404 ' N ' HD23 ' A' ' 24' ' ' LEU . 84.5 p -83.73 167.05 17.52 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.477 1.11 . . . . 0.0 109.986 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 7.5 mmm180 -69.15 -8.52 46.26 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.47 1.106 . . . . 0.0 110.289 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 1.7 t -85.76 8.36 20.17 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.534 1.146 . . . . 0.0 109.997 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 74.77 13.54 82.19 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.503 1.127 . . . . 0.0 110.922 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 45.5 mm-40 -95.75 148.27 22.74 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.456 0.739 . . . . 0.0 110.334 179.938 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -134.77 129.67 34.97 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.485 1.116 . . . . 0.0 109.339 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . 0.47 ' CA ' ' HB2' ' A' ' 24' ' ' LEU . . . -150.12 161.03 28.78 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.456 1.097 . . . . 0.0 111.008 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' TYR . . . . . 0.503 ' CE1' ' HB2' ' A' ' 43' ' ' LYS . 49.4 m-85 -86.57 150.28 24.35 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.469 0.747 . . . . 0.0 110.986 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . 0.509 HG11 ' CD2' ' A' ' 16' ' ' PHE . 0.0 OUTLIER -152.1 163.5 23.37 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.527 1.142 . . . . 0.0 109.298 -179.968 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . 0.451 ' HD3' ' CZ3' ' A' ' 41' ' ' TRP . 18.3 Cg_endo -74.97 138.41 23.08 Favored 'Trans proline' 0 C--N 1.359 1.106 0 O-C-N 124.493 1.786 . . . . 0.0 110.99 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' CYS . . . . . 0.447 ' HA ' ' CD1' ' A' ' 59' ' ' LEU . 31.9 p -78.39 -2.63 39.25 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.469 1.105 . . . . 0.0 108.307 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -68.35 -39.79 81.73 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.538 1.148 . . . . 0.0 109.329 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 17.5 pt -85.04 -20.52 8.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.531 1.145 . . . . 0.0 109.331 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . 0.463 HD12 ' CE3' ' A' ' 42' ' ' TRP . 84.1 mt -64.46 164.91 10.69 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.464 1.103 . . . . 0.0 109.329 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -164.43 143.88 8.92 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.485 1.116 . . . . 0.0 111.019 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 5.5 mt-10 -61.35 118.13 6.53 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.511 0.771 . . . . 0.0 110.265 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -99.94 173.62 6.58 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.497 1.123 . . . . 0.0 109.27 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -72.95 156.85 38.42 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.541 1.151 . . . . 0.0 110.018 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -168.82 164.11 37.77 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.477 1.111 . . . . 0.0 111.031 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 130.53 13.39 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.538 1.81 . . . . 0.0 111.004 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -42.13 116.38 0.81 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.47 1.106 . . . . 0.0 110.003 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -119.82 -59.24 1.82 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.475 1.11 . . . . 0.0 110.015 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.984 0 O-C-N 124.485 1.116 . . . . 0.0 111.003 -179.983 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.956 0 N-CA-C 111.008 -0.837 . . . . 0.0 111.008 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 64.33 151.79 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.466 0.745 . . . . 0.0 109.942 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -115.43 148.6 39.19 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.514 1.134 . . . . 0.0 109.991 179.947 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 76.18 101.55 0.14 Allowed Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.475 1.109 . . . . 0.0 111.013 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -82.45 115.17 21.34 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.482 0.754 . . . . 0.0 109.996 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 60.8 p -142.58 117.46 9.93 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.546 1.154 . . . . 0.0 109.956 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -161.83 96.18 0.14 Allowed Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.52 1.138 . . . . 0.0 110.986 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -100.79 168.92 9.35 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.463 0.743 . . . . 0.0 109.32 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . 0.506 ' CE2' ' HG3' ' A' ' 33' ' ' GLU . 56.8 m-85 -138.98 176.45 8.68 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.471 1.107 . . . . 0.0 110.973 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 8.8 p -136.15 142.54 38.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.501 1.126 . . . . 0.0 109.286 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 13.3 tttt -100.61 125.17 46.98 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.472 1.107 . . . . 0.0 109.25 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.457 ' CG2' ' O ' ' A' ' 14' ' ' TYR . 14.5 mm -72.89 128.48 35.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.468 1.105 . . . . 0.0 109.276 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 54.7 mt -91.78 -28.95 17.04 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.496 1.123 . . . . 0.0 109.301 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . 0.457 ' O ' ' CG2' ' A' ' 12' ' ' ILE . 97.0 m-85 -133.28 142.59 48.58 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.545 1.153 . . . . 0.0 110.993 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -72.83 115.0 11.6 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.476 1.11 . . . . 0.0 109.281 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . 0.558 ' CE2' HG13 ' A' ' 54' ' ' VAL . 62.0 t80 -112.2 148.33 34.31 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.475 1.109 . . . . 0.0 111.014 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' THR . . . . . 0.4 ' O ' ' C ' ' A' ' 18' ' ' ALA . 16.4 m -123.95 115.25 20.94 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.478 1.111 . . . . 0.0 110.415 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . 0.4 ' C ' ' O ' ' A' ' 17' ' ' THR . . . -40.31 114.93 0.5 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.527 1.142 . . . . 0.0 109.301 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . 0.421 ' NH1' ' HB3' ' A' ' 19' ' ' ARG . 5.4 mmm180 -89.75 -14.83 33.78 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.531 1.144 . . . . 0.0 110.271 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 1.3 m-80 -142.66 -176.94 5.06 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.493 1.121 . . . . 0.0 109.292 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -71.83 -32.55 67.67 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.534 1.146 . . . . 0.0 109.309 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 15.3 m-20 -89.82 42.68 1.11 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.467 1.105 . . . . 0.0 109.308 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 19.9 mt-10 -145.35 151.91 39.04 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.489 1.118 . . . . 0.0 110.289 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.421 HD11 ' N ' ' A' ' 52' ' ' GLY . 5.0 tp -117.59 142.59 47.03 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.54 1.15 . . . . 0.0 109.326 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 1.1 m -96.97 118.96 34.54 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.473 1.108 . . . . 0.0 110.031 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.467 ' CG1' HD21 ' A' ' 32' ' ' LEU . 23.2 m -133.93 147.95 30.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.522 1.139 . . . . 0.0 109.328 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 5.0 mp -94.83 178.87 5.43 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.467 1.104 . . . . 0.0 109.225 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.438 ' O ' ' CB ' ' A' ' 29' ' ' ASP . 0.3 OUTLIER -82.22 137.88 34.79 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.518 1.136 . . . . 0.0 109.275 -179.989 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . 0.438 ' CB ' ' O ' ' A' ' 28' ' ' LYS . 5.7 t0 77.13 24.54 0.84 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.509 1.131 . . . . 0.0 109.33 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 11.0 mt-10 -106.6 152.15 24.11 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.515 1.134 . . . . 0.0 110.345 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 91.0 t -123.15 125.37 71.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.511 1.132 . . . . 0.0 109.269 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.467 HD21 ' CG1' ' A' ' 26' ' ' VAL . 2.8 mm? -112.26 175.82 5.28 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.481 1.113 . . . . 0.0 109.292 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . 0.506 ' HG3' ' CE2' ' A' ' 9' ' ' TYR . 3.0 tt0 -100.52 111.93 24.23 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.508 1.13 . . . . 0.0 110.272 -179.938 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.402 ' HA ' ' CD1' ' A' ' 44' ' ' LEU . 13.1 p -73.36 130.44 35.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.491 1.119 . . . . 0.0 109.296 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 5.7 mt -112.78 -50.93 2.86 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.49 1.118 . . . . 0.0 109.288 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -115.34 124.7 51.94 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.508 1.13 . . . . 0.0 110.294 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 1.9 p-10 -129.99 176.23 8.23 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.478 1.111 . . . . 0.0 109.287 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 72.46 17.29 77.69 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.528 1.143 . . . . 0.0 111.023 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -127.27 164.5 21.6 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.509 0.77 . . . . 0.0 110.277 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 27.3 mt-30 -39.76 -68.72 0.16 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.482 1.114 . . . . 0.0 110.309 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' TRP . . . . . 0.572 ' CZ3' ' HD3' ' A' ' 55' ' ' PRO . 11.6 m0 -109.81 137.87 46.99 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 0.0 108.046 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' TRP . . . . . 0.555 ' CE3' HD13 ' A' ' 59' ' ' LEU . 45.9 m0 -82.84 156.0 23.86 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.523 1.14 . . . . 0.0 107.976 -179.934 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . 0.563 ' HB2' ' CE1' ' A' ' 53' ' ' TYR . 70.4 tttt -113.24 99.91 8.17 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.481 1.113 . . . . 0.0 109.286 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.52 ' CD2' ' CG2' ' A' ' 54' ' ' VAL . 0.4 OUTLIER -95.16 167.01 11.63 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.475 1.11 . . . . 0.0 109.261 -179.987 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 10.7 ttp180 -136.06 120.25 17.8 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.521 1.138 . . . . 0.0 110.265 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 6.8 p -69.32 153.22 43.95 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.516 1.135 . . . . 0.0 109.959 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -54.4 -22.52 12.67 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.541 1.151 . . . . 0.0 110.308 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -69.84 -12.05 61.33 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.478 1.111 . . . . 0.0 109.997 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 102.58 -15.21 56.09 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.563 1.164 . . . . 0.0 111.04 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 2.0 mm-40 -63.64 155.35 30.08 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.52 0.776 . . . . 0.0 110.312 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -142.68 130.78 21.92 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.456 1.098 . . . . 0.0 109.292 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . 0.421 ' N ' HD11 ' A' ' 24' ' ' LEU . . . -150.06 164.53 29.65 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.458 1.099 . . . . 0.0 111.035 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' TYR . . . . . 0.563 ' CE1' ' HB2' ' A' ' 43' ' ' LYS . 54.0 m-85 -96.59 148.7 22.57 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.513 0.772 . . . . 0.0 110.998 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . 0.558 HG13 ' CE2' ' A' ' 16' ' ' PHE . 0.0 OUTLIER -149.91 164.49 20.54 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.491 1.119 . . . . 0.0 109.255 -179.967 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . 0.572 ' HD3' ' CZ3' ' A' ' 41' ' ' TRP . 18.5 Cg_endo -74.97 142.32 27.82 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.513 1.796 . . . . 0.0 111.006 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 31.9 p -78.06 -3.42 42.15 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.491 1.119 . . . . 0.0 108.284 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -66.52 -43.43 85.23 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.558 1.161 . . . . 0.0 109.266 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 8.7 pt -81.24 -26.36 10.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.47 1.106 . . . . 0.0 109.309 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . 0.555 HD13 ' CE3' ' A' ' 42' ' ' TRP . 88.9 mt -65.92 159.43 25.63 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.464 1.103 . . . . 0.0 109.318 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -145.8 -144.84 4.16 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.474 1.109 . . . . 0.0 111.017 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 18.5 tt0 -119.02 140.79 49.44 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.487 0.757 . . . . 0.0 110.356 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -121.96 141.96 50.78 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.489 1.118 . . . . 0.0 109.29 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -77.82 90.71 4.08 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.528 1.143 . . . . 0.0 110.037 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -87.15 -174.74 48.98 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.501 1.125 . . . . 0.0 111.015 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 -38.66 1.51 Allowed 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.496 1.787 . . . . 0.0 110.994 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 65.49 121.09 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.516 1.135 . . . . 0.0 109.958 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 36.6 t -64.85 -59.46 4.18 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.499 1.125 . . . . 0.0 109.959 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.028 0 O-C-N 124.553 1.158 . . . . 0.0 110.989 179.997 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.014 0 N-CA-C 111.001 -0.839 . . . . 0.0 111.001 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 7.6 t -95.75 137.88 34.18 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.521 0.777 . . . . 0.0 110.005 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 66.0 p -170.06 96.31 0.27 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.519 1.137 . . . . 0.0 110.045 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 139.63 101.8 0.51 Allowed Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.49 1.119 . . . . 0.0 111.03 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 12.0 p -158.71 143.54 16.03 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.493 0.761 . . . . 0.0 109.987 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 43.1 t 64.55 74.72 0.39 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.46 1.1 . . . . 0.0 110.033 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -121.51 101.28 0.77 Allowed Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.539 1.149 . . . . 0.0 110.982 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . 0.449 ' HG2' ' CG1' ' A' ' 34' ' ' VAL . 0.0 OUTLIER -119.83 158.33 26.83 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.537 0.786 . . . . 0.0 109.352 179.949 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . 0.561 ' CE2' ' HG3' ' A' ' 33' ' ' GLU . 91.4 m-85 -135.95 162.47 32.75 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.495 1.122 . . . . 0.0 110.998 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 8.8 p -121.18 137.37 55.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.473 1.108 . . . . 0.0 109.305 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -103.58 103.88 13.87 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.527 1.142 . . . . 0.0 109.287 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 33.2 mm -46.61 149.37 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.551 1.157 . . . . 0.0 109.304 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 69.3 mt -113.38 -35.9 5.15 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.55 1.156 . . . . 0.0 109.267 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 85.0 m-85 -129.68 142.19 50.77 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.423 1.077 . . . . 0.0 111.034 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -72.08 109.42 5.86 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.558 1.161 . . . . 0.0 109.294 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . 0.558 ' CD2' HG13 ' A' ' 54' ' ' VAL . 46.4 t80 -103.27 147.93 26.46 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.474 1.109 . . . . 0.0 111.004 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' THR . . . . . 0.403 ' O ' ' C ' ' A' ' 18' ' ' ALA . 4.1 m -114.89 99.14 7.26 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.472 1.108 . . . . 0.0 110.393 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . 0.403 ' C ' ' O ' ' A' ' 17' ' ' THR . . . -40.09 118.23 0.87 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.47 1.106 . . . . 0.0 109.306 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 17.2 mtt-85 -73.85 -30.28 62.58 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.491 1.119 . . . . 0.0 110.313 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 31.9 m-80 -143.76 -175.07 4.43 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.475 1.109 . . . . 0.0 109.299 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -66.99 -48.79 67.37 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.549 1.156 . . . . 0.0 109.3 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 5.0 p30 -47.83 -24.79 1.08 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.521 1.138 . . . . 0.0 109.314 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 65.9 mt-10 -97.98 165.04 12.1 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.469 1.105 . . . . 0.0 110.3 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.42 HD12 ' N ' ' A' ' 52' ' ' GLY . 5.5 tp -125.34 142.58 51.42 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.547 1.155 . . . . 0.0 109.3 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -95.84 120.58 36.36 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.488 1.118 . . . . 0.0 110.031 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 11.2 m -133.66 146.65 31.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.523 1.139 . . . . 0.0 109.288 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 5.8 mp -95.42 179.2 5.25 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.505 1.128 . . . . 0.0 109.308 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.484 ' O ' ' CB ' ' A' ' 29' ' ' ASP . 0.0 OUTLIER -83.05 136.23 34.56 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.52 1.138 . . . . 0.0 109.277 -179.991 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . 0.484 ' CB ' ' O ' ' A' ' 28' ' ' LYS . 1.4 t70 80.83 21.69 0.4 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.461 1.1 . . . . 0.0 109.277 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 4.6 mt-10 -97.92 159.66 14.79 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.486 1.116 . . . . 0.0 110.303 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 69.2 t -131.31 117.94 38.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.544 1.152 . . . . 0.0 109.267 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.406 ' N ' HD23 ' A' ' 32' ' ' LEU . 3.2 mm? -108.46 172.47 6.82 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.504 1.127 . . . . 0.0 109.307 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . 0.561 ' HG3' ' CE2' ' A' ' 9' ' ' TYR . 3.1 tt0 -101.16 109.07 20.9 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.491 1.119 . . . . 0.0 110.331 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.449 ' CG1' ' HG2' ' A' ' 8' ' ' LYS . 9.8 p -70.69 133.09 32.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.499 1.124 . . . . 0.0 109.317 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 1.7 mt -119.18 -46.61 2.51 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.511 1.132 . . . . 0.0 109.334 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -123.27 123.98 41.96 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.505 1.128 . . . . 0.0 110.254 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 2.2 p-10 -133.39 176.45 8.51 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.497 1.123 . . . . 0.0 109.275 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 82.21 14.81 75.95 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.489 1.118 . . . . 0.0 111.0 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 6.2 mtt85 -127.73 165.52 19.91 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.489 0.758 . . . . 0.0 110.309 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 62.2 mt-30 -39.35 -63.8 0.52 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.522 1.139 . . . . 0.0 110.327 179.936 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' TRP . . . . . 0.576 ' CZ3' ' HD3' ' A' ' 55' ' ' PRO . 11.6 m0 -113.05 138.14 50.35 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.465 1.103 . . . . 0.0 108.026 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' TRP . . . . . 0.572 ' CE3' HD11 ' A' ' 59' ' ' LEU . 42.1 m0 -84.49 156.19 21.82 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.495 1.122 . . . . 0.0 107.993 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . 0.568 ' HB2' ' CE1' ' A' ' 53' ' ' TYR . 5.8 tttt -112.46 99.91 8.35 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.51 1.131 . . . . 0.0 109.287 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.576 ' CD2' ' CG2' ' A' ' 54' ' ' VAL . 0.2 OUTLIER -98.87 164.95 12.0 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.509 1.131 . . . . 0.0 109.27 179.992 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 38.2 ttm180 -132.68 123.9 27.2 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.481 1.113 . . . . 0.0 110.294 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -74.46 166.33 23.7 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.52 1.138 . . . . 0.0 110.022 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.19 -8.83 53.08 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.513 1.133 . . . . 0.0 110.33 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 3.8 t -85.93 11.41 11.48 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.508 1.13 . . . . 0.0 110.036 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 73.06 13.19 79.44 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.479 1.112 . . . . 0.0 111.02 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 10.5 mm100 -94.32 146.41 24.05 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.49 0.759 . . . . 0.0 110.29 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -134.82 129.06 33.92 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.488 1.118 . . . . 0.0 109.295 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . 0.42 ' N ' HD12 ' A' ' 24' ' ' LEU . . . -150.16 164.21 29.63 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.492 1.12 . . . . 0.0 111.0 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' TYR . . . . . 0.568 ' CE1' ' HB2' ' A' ' 43' ' ' LYS . 50.7 m-85 -93.78 152.48 18.9 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.511 0.771 . . . . 0.0 111.024 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . 0.576 ' CG2' ' CD2' ' A' ' 44' ' ' LEU . 0.0 OUTLIER -151.89 163.01 25.0 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.516 1.135 . . . . 0.0 109.321 179.996 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . 0.576 ' HD3' ' CZ3' ' A' ' 41' ' ' TRP . 18.2 Cg_endo -75.04 145.64 31.54 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.425 1.75 . . . . 0.0 110.935 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 17.3 p -82.57 -1.13 49.82 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.504 1.128 . . . . 0.0 108.335 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -70.39 -24.1 62.89 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.495 1.122 . . . . 0.0 109.266 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 8.0 pt -104.4 -20.88 5.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.484 1.115 . . . . 0.0 109.314 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . 0.572 HD11 ' CE3' ' A' ' 42' ' ' TRP . 73.2 mt -74.43 159.91 31.68 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.461 1.1 . . . . 0.0 109.28 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -159.72 149.41 19.07 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.467 1.104 . . . . 0.0 110.988 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -60.84 114.94 3.32 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.505 0.768 . . . . 0.0 110.332 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -81.91 118.09 22.67 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.511 1.132 . . . . 0.0 109.317 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 83.8 p -56.97 129.74 42.99 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.478 1.111 . . . . 0.0 110.002 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -174.44 -172.49 39.62 Favored Glycine 0 CA--C 1.529 0.941 0 O-C-N 124.515 1.134 . . . . 0.0 111.007 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 61.42 5.63 Favored 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.509 1.794 . . . . 0.0 111.017 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 62.9 p -137.68 169.42 17.81 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.467 1.105 . . . . 0.0 110.001 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 26.8 p -97.97 130.83 44.8 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.511 1.132 . . . . 0.0 109.967 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.964 0 O-C-N 124.51 1.131 . . . . 0.0 111.033 179.962 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.964 0 N-CA-C 111.034 -0.826 . . . . 0.0 111.034 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 80.2 p -68.21 104.31 1.79 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.488 0.758 . . . . 0.0 109.97 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 67.91 -75.07 0.07 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.499 1.124 . . . . 0.0 109.986 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 114.42 -163.93 12.13 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.496 1.123 . . . . 0.0 110.995 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 66.71 106.08 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.51 0.771 . . . . 0.0 109.98 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -168.06 79.81 0.17 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.444 1.09 . . . . 0.0 110.017 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -84.16 127.15 7.95 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.493 1.121 . . . . 0.0 110.968 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 2.2 mmtp -116.77 158.57 23.66 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.477 0.751 . . . . 0.0 109.282 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 67.6 m-85 -133.02 175.97 8.9 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.46 1.1 . . . . 0.0 110.96 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . 0.421 ' CG2' ' HB3' ' A' ' 59' ' ' LEU . 4.1 p -139.28 132.98 38.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.555 1.159 . . . . 0.0 109.277 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 10.4 tttt -97.1 116.39 29.23 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.47 1.107 . . . . 0.0 109.291 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.448 ' CG2' ' O ' ' A' ' 14' ' ' TYR . 39.1 mm -63.34 128.1 24.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.495 1.122 . . . . 0.0 109.31 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 86.5 mt -91.33 -29.24 17.24 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.544 1.152 . . . . 0.0 109.306 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . 0.448 ' O ' ' CG2' ' A' ' 12' ' ' ILE . 82.1 m-85 -137.43 144.76 42.52 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.438 1.086 . . . . 0.0 110.969 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . 0.415 ' CB ' HD23 ' A' ' 27' ' ' LEU . 0.8 OUTLIER -71.54 123.1 21.71 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.431 1.082 . . . . 0.0 109.317 179.966 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . 0.519 ' CD2' HG12 ' A' ' 54' ' ' VAL . 67.3 t80 -118.47 137.57 53.09 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.416 1.073 . . . . 0.0 111.032 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 57.9 m -104.69 103.85 13.56 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.527 1.142 . . . . 0.0 110.397 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -45.37 114.95 0.83 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.569 1.168 . . . . 0.0 109.318 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 12.5 mmm180 -65.2 -33.69 76.59 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.503 1.127 . . . . 0.0 110.276 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 13.5 m-80 -144.63 -175.9 4.84 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.482 1.114 . . . . 0.0 109.317 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -63.01 -48.22 79.74 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.506 1.129 . . . . 0.0 109.322 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . 0.452 ' OD1' ' N ' ' A' ' 23' ' ' GLU . 30.9 p30 -47.68 -24.9 1.03 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.485 1.116 . . . . 0.0 109.279 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . 0.452 ' N ' ' OD1' ' A' ' 22' ' ' ASN . 53.5 mt-10 -99.48 152.87 19.51 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.508 1.13 . . . . 0.0 110.295 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.443 ' HB2' ' CA ' ' A' ' 52' ' ' GLY . 5.4 tp -108.87 137.66 46.45 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.5 1.125 . . . . 0.0 109.35 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 8.4 p -92.12 120.58 32.87 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.495 1.122 . . . . 0.0 110.015 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 35.7 m -132.99 167.74 25.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.517 1.136 . . . . 0.0 109.327 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.415 HD23 ' CB ' ' A' ' 15' ' ' ASP . 17.8 mt -121.61 179.06 4.58 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.537 1.148 . . . . 0.0 109.303 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.46 ' O ' ' CB ' ' A' ' 29' ' ' ASP . 12.5 tttt -81.91 138.24 35.04 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.477 1.111 . . . . 0.0 109.306 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . 0.46 ' CB ' ' O ' ' A' ' 28' ' ' LYS . 3.7 m-20 78.86 23.76 0.57 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.527 1.142 . . . . 0.0 109.261 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 8.3 mt-10 -106.31 161.38 14.61 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.467 1.105 . . . . 0.0 110.309 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 80.1 t -133.45 118.17 30.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.507 1.129 . . . . 0.0 109.308 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -105.71 178.82 4.45 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.467 1.105 . . . . 0.0 109.301 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . 0.461 ' HG2' ' CD2' ' A' ' 35' ' ' LEU . 8.1 tt0 -107.49 120.25 41.66 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.539 1.149 . . . . 0.0 110.267 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.438 ' HA ' ' CD1' ' A' ' 44' ' ' LEU . 9.8 p -77.17 132.87 31.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.444 1.09 . . . . 0.0 109.277 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.461 ' CD2' ' HG2' ' A' ' 33' ' ' GLU . 3.5 mt -118.18 -46.85 2.59 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.499 1.124 . . . . 0.0 109.273 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -125.48 124.88 42.35 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.536 1.147 . . . . 0.0 110.315 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 1.7 p-10 -134.31 173.18 11.9 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.533 1.146 . . . . 0.0 109.274 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 96.93 -13.25 65.25 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.463 1.102 . . . . 0.0 111.038 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -107.8 165.87 11.12 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.575 0.809 . . . . 0.0 110.286 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -39.02 -80.74 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.498 1.124 . . . . 0.0 110.297 -179.935 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' TRP . . . . . 0.572 ' CZ3' ' HD3' ' A' ' 55' ' ' PRO . 11.4 m0 -89.99 138.54 31.42 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.491 1.119 . . . . 0.0 108.021 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' TRP . . . . . 0.421 ' CE3' HD12 ' A' ' 59' ' ' LEU . 25.5 m0 -91.51 156.7 17.5 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.493 1.121 . . . . 0.0 107.993 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . 0.509 ' HB2' ' CE1' ' A' ' 53' ' ' TYR . 25.9 tttt -110.3 99.87 8.84 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.492 1.12 . . . . 0.0 109.337 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.526 ' N ' ' CD2' ' A' ' 44' ' ' LEU . 0.6 OUTLIER -95.0 166.84 11.74 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.493 1.12 . . . . 0.0 109.283 -179.954 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . 0.486 ' CG ' ' O ' ' A' ' 50' ' ' GLN . 21.9 ttp180 -133.23 132.64 41.73 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.489 1.118 . . . . 0.0 110.28 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 20.7 p -84.4 168.16 15.81 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.486 1.116 . . . . 0.0 110.009 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.55 -7.24 36.68 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.436 1.085 . . . . 0.0 110.291 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -86.8 8.48 22.6 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.444 1.09 . . . . 0.0 110.03 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 74.61 14.55 81.11 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.496 1.123 . . . . 0.0 111.006 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . 0.486 ' O ' ' CG ' ' A' ' 45' ' ' ARG . 0.7 OUTLIER -94.75 154.91 17.07 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.483 0.755 . . . . 0.0 110.298 179.989 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -141.05 131.1 24.63 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.445 1.09 . . . . 0.0 109.297 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . 0.443 ' CA ' ' HB2' ' A' ' 24' ' ' LEU . . . -149.91 165.11 29.69 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.458 1.099 . . . . 0.0 111.026 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' TYR . . . . . 0.509 ' CE1' ' HB2' ' A' ' 43' ' ' LYS . 62.3 m-85 -94.52 149.37 21.31 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.469 0.746 . . . . 0.0 111.011 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . 0.519 HG12 ' CD2' ' A' ' 16' ' ' PHE . 0.0 OUTLIER -150.44 163.31 24.65 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.462 1.101 . . . . 0.0 109.324 179.981 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . 0.572 ' HD3' ' CZ3' ' A' ' 41' ' ' TRP . 18.2 Cg_endo -75.02 143.53 29.1 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.522 1.801 . . . . 0.0 110.993 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 25.9 p -83.37 3.34 32.16 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.531 1.144 . . . . 0.0 108.338 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -78.67 -24.5 45.07 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.518 1.136 . . . . 0.0 109.28 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . 0.414 ' CD1' ' HB2' ' A' ' 16' ' ' PHE . 32.0 pt -100.38 -19.92 5.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.434 1.084 . . . . 0.0 109.255 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . 0.421 ' HB3' ' CG2' ' A' ' 10' ' ' VAL . 96.8 mt -66.85 172.14 4.67 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.531 1.145 . . . . 0.0 109.333 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -172.52 147.38 9.82 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.529 1.143 . . . . 0.0 111.016 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 1.9 pt-20 -60.86 123.61 18.06 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.524 0.779 . . . . 0.0 110.324 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -105.69 137.88 42.81 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.486 1.116 . . . . 0.0 109.309 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -124.12 104.65 8.98 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.54 1.15 . . . . 0.0 110.001 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -97.98 -170.23 32.38 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.486 1.116 . . . . 0.0 110.972 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 113.79 3.87 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.48 1.779 . . . . 0.0 111.001 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 66.6 142.32 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.498 1.124 . . . . 0.0 109.986 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 8.4 m -120.44 94.32 4.33 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.486 1.116 . . . . 0.0 110.025 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.996 0 O-C-N 124.495 1.122 . . . . 0.0 111.015 -179.957 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.988 0 N-CA-C 111.004 -0.839 . . . . 0.0 111.004 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.3 m -158.96 -58.24 0.07 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.459 0.74 . . . . 0.0 109.998 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -159.91 80.38 0.71 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.461 1.101 . . . . 0.0 109.958 -179.942 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 65.45 150.0 0.08 OUTLIER Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.503 1.127 . . . . 0.0 111.008 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.4 t -118.99 98.87 6.39 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.558 0.799 . . . . 0.0 110.053 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.4 m -175.57 155.61 1.79 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.462 1.101 . . . . 0.0 110.018 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -106.24 -151.34 19.02 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.476 1.11 . . . . 0.0 110.979 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -118.27 168.98 10.1 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.446 0.733 . . . . 0.0 109.344 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 55.0 m-85 -139.83 171.14 14.65 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.52 1.137 . . . . 0.0 111.001 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 9.7 p -136.24 139.42 45.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.44 1.088 . . . . 0.0 109.346 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 3.0 tttt -110.1 111.22 22.44 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.51 1.131 . . . . 0.0 109.341 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 28.3 mm -52.54 145.14 2.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.462 1.101 . . . . 0.0 109.303 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 71.1 mt -109.16 -31.64 7.51 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.511 1.132 . . . . 0.0 109.282 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 89.8 m-85 -132.23 143.79 50.18 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.502 1.126 . . . . 0.0 110.963 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 3.3 p30 -71.89 117.64 13.74 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.468 1.105 . . . . 0.0 109.286 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 76.6 t80 -116.99 155.71 28.71 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.509 1.131 . . . . 0.0 111.014 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 23.2 m -123.04 110.34 15.22 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.533 1.146 . . . . 0.0 110.453 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -46.49 113.85 0.71 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.469 1.106 . . . . 0.0 109.266 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 50.0 mmm-85 -66.86 -30.14 70.24 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.447 1.092 . . . . 0.0 110.287 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 33.8 m-80 -144.47 -172.8 3.88 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.47 1.107 . . . . 0.0 109.31 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -69.05 -48.17 63.51 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.52 1.137 . . . . 0.0 109.286 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 2.1 p30 -49.66 -23.54 1.78 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.511 1.132 . . . . 0.0 109.311 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 29.8 mt-10 -99.62 149.67 23.04 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.518 1.136 . . . . 0.0 110.303 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.454 ' HB2' ' CA ' ' A' ' 52' ' ' GLY . 5.1 tp -105.52 138.51 41.59 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.53 1.144 . . . . 0.0 109.289 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 3.1 p -92.57 116.71 29.24 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.532 1.145 . . . . 0.0 109.988 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 35.9 m -125.0 173.82 10.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.509 1.13 . . . . 0.0 109.306 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 12.7 mt -127.93 179.14 5.72 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.493 1.121 . . . . 0.0 109.343 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.44 ' HG2' ' N ' ' A' ' 29' ' ' ASP . 7.2 tttt -78.69 149.49 32.78 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.482 1.113 . . . . 0.0 109.296 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . 0.44 ' N ' ' HG2' ' A' ' 28' ' ' LYS . 1.1 m-20 60.23 39.52 19.06 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.506 1.129 . . . . 0.0 109.323 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 23.8 mt-10 -116.46 160.23 20.89 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.473 1.108 . . . . 0.0 110.291 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 89.7 t -130.13 120.49 49.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.497 1.123 . . . . 0.0 109.322 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -110.75 174.64 5.77 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.457 1.098 . . . . 0.0 109.288 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . 0.451 ' HG2' ' CD2' ' A' ' 35' ' ' LEU . 8.1 tt0 -105.03 108.47 20.01 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.544 1.153 . . . . 0.0 110.317 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 13.3 p -72.86 128.26 35.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.52 1.137 . . . . 0.0 109.279 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.451 ' CD2' ' HG2' ' A' ' 33' ' ' GLU . 0.3 OUTLIER -110.83 -43.61 3.77 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.485 1.115 . . . . 0.0 109.29 179.97 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 4.4 mt-10 -129.47 128.66 43.35 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.508 1.13 . . . . 0.0 110.274 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 2.1 p-10 -137.72 171.99 13.62 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.5 1.125 . . . . 0.0 109.243 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 97.81 -4.58 61.39 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.491 1.12 . . . . 0.0 111.005 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -110.73 163.44 13.76 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.532 0.784 . . . . 0.0 110.312 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 4.0 pt20 -42.09 -53.17 4.05 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.521 1.138 . . . . 0.0 110.335 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' TRP . . . . . 0.509 ' CE3' ' C ' ' A' ' 54' ' ' VAL . 14.1 m95 -115.55 135.44 54.08 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.559 1.162 . . . . 0.0 107.973 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' TRP . . . . . 0.561 ' CE3' HD13 ' A' ' 59' ' ' LEU . 41.8 m0 -88.05 162.14 16.96 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.514 1.134 . . . . 0.0 108.008 179.949 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . 0.484 ' HB2' ' CE1' ' A' ' 53' ' ' TYR . 32.2 tttt -116.9 99.93 7.42 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.528 1.143 . . . . 0.0 109.278 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.544 ' CD2' ' CG2' ' A' ' 54' ' ' VAL . 0.1 OUTLIER -99.33 166.7 11.07 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.499 1.124 . . . . 0.0 109.274 179.992 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 17.8 ttp180 -135.38 125.73 26.54 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.558 1.161 . . . . 0.0 110.285 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 36.6 p -76.22 167.48 21.78 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.503 1.127 . . . . 0.0 110.023 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.37 -9.09 51.87 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.539 1.15 . . . . 0.0 110.288 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -84.49 7.98 18.03 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.538 1.149 . . . . 0.0 110.044 179.929 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 75.06 12.46 83.39 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.462 1.102 . . . . 0.0 110.977 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 6.0 mt-30 -93.05 149.18 21.4 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.54 0.788 . . . . 0.0 110.29 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -135.35 130.28 34.73 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.49 1.119 . . . . 0.0 109.315 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . 0.454 ' CA ' ' HB2' ' A' ' 24' ' ' LEU . . . -150.31 163.87 29.61 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.493 1.121 . . . . 0.0 111.014 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' TYR . . . . . 0.484 ' CE1' ' HB2' ' A' ' 43' ' ' LYS . 49.2 m-85 -94.82 149.16 21.54 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.488 0.758 . . . . 0.0 110.964 -179.943 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . 0.544 ' CG2' ' CD2' ' A' ' 44' ' ' LEU . 0.0 OUTLIER -150.49 164.62 19.81 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.519 1.137 . . . . 0.0 109.251 -179.988 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . 0.476 ' HD3' ' CZ3' ' A' ' 41' ' ' TRP . 18.0 Cg_endo -75.08 146.96 33.0 Favored 'Trans proline' 0 C--N 1.361 1.202 0 O-C-N 124.468 1.773 . . . . 0.0 110.982 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 20.8 p -85.25 -1.89 57.44 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.502 1.127 . . . . 0.0 108.282 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 1.6 m-20 -71.67 -22.0 61.73 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.486 1.116 . . . . 0.0 109.28 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 17.2 pt -104.22 -22.02 5.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.504 1.128 . . . . 0.0 109.285 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . 0.561 HD13 ' CE3' ' A' ' 42' ' ' TRP . 87.9 mt -66.03 168.36 8.42 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.493 1.121 . . . . 0.0 109.318 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -168.5 153.01 21.66 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.501 1.126 . . . . 0.0 110.982 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 2.0 pm0 -60.99 148.78 38.89 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.545 0.791 . . . . 0.0 110.293 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -125.24 133.02 52.86 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.479 1.112 . . . . 0.0 109.272 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 4.5 m -93.9 -50.35 5.38 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.482 1.113 . . . . 0.0 109.965 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 126.8 167.7 12.42 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.456 1.097 . . . . 0.0 111.023 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 -34.01 4.18 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.492 1.785 . . . . 0.0 110.994 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 40.7 t -83.39 138.0 33.69 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.539 1.149 . . . . 0.0 109.996 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 33.8 m 56.79 81.09 0.14 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.49 1.119 . . . . 0.0 109.978 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.007 0 O-C-N 124.427 1.08 . . . . 0.0 111.02 179.984 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.981 0 N-CA-C 111.022 -0.831 . . . . 0.0 111.022 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -168.04 163.91 13.59 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.446 0.733 . . . . 0.0 110.028 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 68.2 m -66.69 153.69 42.56 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.502 1.126 . . . . 0.0 109.973 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -96.49 -151.73 28.28 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.467 1.104 . . . . 0.0 111.018 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 49.98 96.74 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.51 0.771 . . . . 0.0 109.954 179.94 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -45.72 123.81 4.65 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.558 1.161 . . . . 0.0 110.002 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -37.9 152.46 0.03 OUTLIER Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.523 1.139 . . . . 0.0 111.008 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -102.86 157.55 16.89 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.465 0.744 . . . . 0.0 109.277 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 99.1 m-85 -143.58 172.92 12.13 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.483 1.115 . . . . 0.0 110.961 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 8.1 p -132.17 142.96 41.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.452 1.095 . . . . 0.0 109.277 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -104.9 123.16 47.25 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.551 1.157 . . . . 0.0 109.242 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.483 ' CG2' ' O ' ' A' ' 14' ' ' TYR . 13.5 mm -74.66 114.24 14.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.491 1.119 . . . . 0.0 109.268 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 40.4 mt -81.19 -28.64 34.85 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.481 1.113 . . . . 0.0 109.345 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . 0.483 ' O ' ' CG2' ' A' ' 12' ' ' ILE . 92.8 m-85 -131.82 143.24 50.05 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.514 1.134 . . . . 0.0 111.016 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -73.96 110.9 8.62 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.514 1.134 . . . . 0.0 109.287 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . 0.56 ' CD2' HG11 ' A' ' 54' ' ' VAL . 80.6 t80 -101.79 146.45 27.77 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.536 1.148 . . . . 0.0 110.974 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 54.2 m -121.04 117.38 27.09 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.471 1.107 . . . . 0.0 110.381 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -48.49 113.63 0.8 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.492 1.12 . . . . 0.0 109.286 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 6.4 mtp180 -100.45 3.27 42.89 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.463 1.102 . . . . 0.0 110.323 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 4.2 m-80 -154.02 -179.56 7.98 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.476 1.11 . . . . 0.0 109.286 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -77.75 -33.56 52.78 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.472 1.108 . . . . 0.0 109.304 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 62.1 m-20 -89.87 43.19 1.13 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.505 1.128 . . . . 0.0 109.296 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 38.0 mt-10 -147.5 144.11 28.32 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.474 1.109 . . . . 0.0 110.291 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.448 HD11 ' CA ' ' A' ' 51' ' ' ALA . 6.3 tp -105.79 148.42 27.53 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.512 1.132 . . . . 0.0 109.315 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 14.1 p -102.1 123.04 45.27 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.505 1.128 . . . . 0.0 110.021 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.406 ' CG2' HG23 ' A' ' 12' ' ' ILE . 29.0 m -135.8 161.23 38.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.494 1.121 . . . . 0.0 109.307 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 2.1 mm? -109.04 178.67 4.39 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.478 1.112 . . . . 0.0 109.287 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.415 ' O ' ' CB ' ' A' ' 29' ' ' ASP . 1.2 tttt -83.45 138.87 33.27 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.49 1.119 . . . . 0.0 109.343 179.937 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . 0.415 ' CB ' ' O ' ' A' ' 28' ' ' LYS . 0.8 OUTLIER 77.02 21.82 1.09 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.521 1.138 . . . . 0.0 109.29 179.994 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 14.4 mt-10 -103.65 155.41 18.58 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.51 1.131 . . . . 0.0 110.25 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 68.9 t -126.03 111.46 26.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.461 1.101 . . . . 0.0 109.304 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.406 ' N ' HD21 ' A' ' 32' ' ' LEU . 3.0 mm? -100.72 171.38 7.73 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.509 1.13 . . . . 0.0 109.286 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 3.0 tt0 -96.42 114.04 25.68 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.124 . . . . 0.0 110.295 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.424 ' HA ' ' CD1' ' A' ' 44' ' ' LEU . 12.5 p -74.5 133.35 31.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.48 1.112 . . . . 0.0 109.286 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 13.5 mt -115.69 -50.21 2.71 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.556 1.16 . . . . 0.0 109.313 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -117.62 125.45 50.78 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.525 1.141 . . . . 0.0 110.315 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 1.9 p-10 -132.87 174.73 10.02 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.501 1.126 . . . . 0.0 109.28 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 75.27 14.99 81.42 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.504 1.127 . . . . 0.0 110.971 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . 0.402 ' O ' ' C ' ' A' ' 40' ' ' GLN . 3.6 mtt180 -128.02 166.14 18.95 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.519 0.776 . . . . 0.0 110.301 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . 0.402 ' C ' ' O ' ' A' ' 39' ' ' ARG . 16.2 mt-30 -38.59 -69.66 0.12 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.501 1.126 . . . . 0.0 110.284 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' TRP . . . . . 0.586 ' CZ3' ' HD3' ' A' ' 55' ' ' PRO . 12.2 m0 -110.78 136.54 49.68 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 107.954 -1.128 . . . . 0.0 107.954 -179.95 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' TRP . . . . . 0.573 ' CE3' HD12 ' A' ' 59' ' ' LEU . 40.9 m0 -83.42 157.13 22.59 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.486 1.116 . . . . 0.0 107.99 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . 0.569 ' HB2' ' CE1' ' A' ' 53' ' ' TYR . 60.2 tttt -111.55 99.78 8.46 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.547 1.154 . . . . 0.0 109.283 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.567 ' CD2' ' CG2' ' A' ' 54' ' ' VAL . 0.4 OUTLIER -94.2 167.03 11.82 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.47 1.106 . . . . 0.0 109.27 179.984 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . 0.44 ' CG ' ' O ' ' A' ' 50' ' ' GLN . 29.6 ttm-85 -145.71 133.16 20.75 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.484 1.115 . . . . 0.0 110.35 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 13.8 t -91.29 170.44 9.99 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.465 1.103 . . . . 0.0 110.016 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.54 -10.28 57.47 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.462 1.101 . . . . 0.0 110.329 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -79.97 1.91 25.61 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.502 1.126 . . . . 0.0 110.029 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 77.7 17.46 78.8 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.493 1.121 . . . . 0.0 111.011 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . 0.44 ' O ' ' CG ' ' A' ' 45' ' ' ARG . 35.8 mm-40 -94.95 145.97 24.56 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.501 0.766 . . . . 0.0 110.317 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . 0.448 ' CA ' HD11 ' A' ' 24' ' ' LEU . . . -140.52 129.01 22.71 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.505 1.128 . . . . 0.0 109.287 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . 0.441 ' CA ' ' HB2' ' A' ' 24' ' ' LEU . . . -150.29 168.2 30.22 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.498 1.124 . . . . 0.0 111.019 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' TYR . . . . . 0.569 ' CE1' ' HB2' ' A' ' 43' ' ' LYS . 53.9 m-85 -102.13 139.05 38.27 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.463 0.743 . . . . 0.0 111.034 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . 0.569 ' C ' ' CE3' ' A' ' 41' ' ' TRP . 0.0 OUTLIER -137.58 164.86 38.4 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.464 1.103 . . . . 0.0 109.305 179.984 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . 0.586 ' HD3' ' CZ3' ' A' ' 41' ' ' TRP . 18.3 Cg_endo -75.0 147.58 34.1 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.479 1.779 . . . . 0.0 111.002 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 26.5 p -85.86 6.02 30.15 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.532 1.145 . . . . 0.0 108.278 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -77.87 -26.18 49.11 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.514 1.134 . . . . 0.0 109.312 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . 0.465 ' CD1' ' HB2' ' A' ' 16' ' ' PHE . 15.3 pt -102.54 -22.26 4.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.465 1.103 . . . . 0.0 109.325 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . 0.573 HD12 ' CE3' ' A' ' 42' ' ' TRP . 78.3 mt -65.27 163.29 15.64 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.526 1.141 . . . . 0.0 109.327 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -168.99 160.45 33.9 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.504 1.127 . . . . 0.0 111.005 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -64.31 132.73 51.05 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.535 0.785 . . . . 0.0 110.239 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -92.56 124.04 36.3 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.443 1.089 . . . . 0.0 109.323 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 20.3 t -143.21 82.07 1.74 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.479 1.112 . . . . 0.0 110.016 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -80.19 161.97 45.74 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.504 1.128 . . . . 0.0 110.96 -179.936 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 127.83 11.0 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.504 1.791 . . . . 0.0 111.032 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 20.9 t 59.25 164.39 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.503 1.127 . . . . 0.0 110.072 -179.918 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 59.22 111.77 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.457 1.098 . . . . 0.0 109.975 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.996 0 O-C-N 124.546 1.154 . . . . 0.0 110.997 179.969 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.98 0 N-CA-C 110.972 -0.851 . . . . 0.0 110.972 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 10.5 t -134.19 80.22 1.85 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.499 0.764 . . . . 0.0 109.99 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 75.7 m 39.75 88.67 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.524 1.14 . . . . 0.0 110.037 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 171.1 65.32 0.04 OUTLIER Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.513 1.133 . . . . 0.0 110.996 -179.945 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -134.86 121.15 20.2 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.542 0.789 . . . . 0.0 109.977 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 94.5 p -169.3 89.68 0.2 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.579 1.175 . . . . 0.0 109.992 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -87.87 96.69 2.21 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.503 1.127 . . . . 0.0 110.998 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 3.9 ttpt -103.92 163.75 12.16 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.492 0.76 . . . . 0.0 109.325 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 95.5 m-85 -145.9 168.25 21.28 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.453 1.096 . . . . 0.0 110.976 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 6.0 p -137.63 140.68 40.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.527 1.142 . . . . 0.0 109.35 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -99.47 123.82 44.07 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.469 1.106 . . . . 0.0 109.285 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.502 ' CG2' ' O ' ' A' ' 14' ' ' TYR . 46.6 mm -69.98 109.1 2.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.545 1.153 . . . . 0.0 109.309 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 67.5 mt -75.34 -24.27 57.33 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.521 1.138 . . . . 0.0 109.244 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . 0.502 ' O ' ' CG2' ' A' ' 12' ' ' ILE . 88.5 m-85 -143.45 138.75 29.51 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.524 1.14 . . . . 0.0 110.969 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 7.3 p30 -65.96 138.19 57.66 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.491 1.119 . . . . 0.0 109.264 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 74.7 t80 -131.84 130.02 41.18 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.468 1.105 . . . . 0.0 110.996 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 54.7 m -100.63 104.11 15.42 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.51 1.131 . . . . 0.0 110.379 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -50.04 113.89 0.96 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.539 1.149 . . . . 0.0 109.245 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 12.6 mtt-85 -72.18 -29.25 63.81 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.46 1.1 . . . . 0.0 110.301 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 53.2 m-80 -136.46 -178.6 5.24 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.556 1.16 . . . . 0.0 109.272 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -68.27 -46.26 70.88 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.485 1.116 . . . . 0.0 109.295 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 2.5 p30 -49.4 -30.93 8.61 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.455 1.097 . . . . 0.0 109.316 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 55.3 mt-10 -91.75 146.83 23.45 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.121 . . . . 0.0 110.293 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.436 HD12 ' CA ' ' A' ' 51' ' ' ALA . 4.5 tp -102.16 142.36 33.54 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.505 1.128 . . . . 0.0 109.286 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 2.4 p -97.75 114.61 26.65 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.513 1.133 . . . . 0.0 109.988 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 31.2 m -131.4 161.93 40.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.551 1.157 . . . . 0.0 109.264 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.462 ' O ' ' CG2' ' A' ' 12' ' ' ILE . 9.6 mt -108.18 179.05 4.32 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.454 1.096 . . . . 0.0 109.3 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.515 ' O ' ' CB ' ' A' ' 29' ' ' ASP . 27.5 ttmt -85.68 141.12 29.98 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.507 1.129 . . . . 0.0 109.333 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . 0.515 ' CB ' ' O ' ' A' ' 28' ' ' LYS . 3.8 m-20 83.48 -6.95 1.15 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.519 1.137 . . . . 0.0 109.307 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . 0.451 ' OE2' ' CB ' ' A' ' 27' ' ' LEU . 0.2 OUTLIER -69.06 167.31 16.25 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.504 1.127 . . . . 0.0 110.281 -179.97 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 55.4 t -134.88 113.14 15.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.519 1.137 . . . . 0.0 109.285 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.454 HD22 ' CG1' ' A' ' 12' ' ' ILE . 3.0 mm? -108.14 171.24 7.52 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.487 1.117 . . . . 0.0 109.285 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 4.7 tt0 -107.08 132.66 52.74 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.517 1.136 . . . . 0.0 110.302 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 8.6 p -91.31 130.9 39.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.497 1.123 . . . . 0.0 109.317 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -116.17 -45.19 2.85 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.511 1.132 . . . . 0.0 109.278 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 5.7 mt-10 -122.47 123.85 42.25 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.49 1.119 . . . . 0.0 110.299 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 1.1 p-10 -129.36 177.88 6.86 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.481 1.113 . . . . 0.0 109.303 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 83.21 15.66 71.37 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.44 1.088 . . . . 0.0 110.992 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -127.12 159.59 33.77 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.464 0.744 . . . . 0.0 110.28 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 31.0 mt-30 -40.93 -63.15 0.7 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.501 1.125 . . . . 0.0 110.312 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 9.8 m95 -106.51 133.18 51.59 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 107.982 -1.118 . . . . 0.0 107.982 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' TRP . . . . . 0.433 ' HB2' ' CD1' ' A' ' 59' ' ' LEU . 46.3 m0 -80.9 148.79 29.72 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.475 1.109 . . . . 0.0 108.013 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 23.7 tttt -104.61 99.74 9.41 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.534 1.146 . . . . 0.0 109.33 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.519 ' N ' ' CD2' ' A' ' 44' ' ' LEU . 0.4 OUTLIER -96.27 167.09 11.4 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.469 1.106 . . . . 0.0 109.33 179.989 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 28.9 ttm180 -146.81 121.35 9.73 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.464 1.102 . . . . 0.0 110.258 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 5.8 t -75.23 169.64 17.63 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.531 1.145 . . . . 0.0 110.0 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.75 -12.49 61.52 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.482 1.114 . . . . 0.0 110.3 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 3.8 m -73.62 -23.55 59.91 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.51 1.132 . . . . 0.0 110.007 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 107.0 1.38 36.12 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.5 1.125 . . . . 0.0 111.034 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 12.8 mt-30 -81.15 145.09 31.2 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.517 0.775 . . . . 0.0 110.313 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . 0.436 ' CA ' HD12 ' A' ' 24' ' ' LEU . . . -138.08 130.12 28.65 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.54 1.15 . . . . 0.0 109.273 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . 0.427 ' N ' HD12 ' A' ' 24' ' ' LEU . . . -150.38 172.35 30.18 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.526 1.141 . . . . 0.0 110.989 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 35.3 m-85 -103.13 132.55 49.31 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.489 0.758 . . . . 0.0 111.002 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . 0.459 ' CG2' HD23 ' A' ' 44' ' ' LEU . 0.0 OUTLIER -133.54 162.69 56.12 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.509 1.131 . . . . 0.0 109.329 179.967 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 144.07 29.92 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.558 1.82 . . . . 0.0 110.983 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' CYS . . . . . 0.429 ' HA ' ' CG ' ' A' ' 59' ' ' LEU . 44.6 t -82.59 -0.1 45.36 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.536 1.148 . . . . 0.0 108.329 179.946 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 9.0 m-20 -72.24 -17.51 61.9 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 0.0 109.284 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 18.5 pt -111.94 -12.83 11.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.508 1.13 . . . . 0.0 109.331 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . 0.433 ' CD1' ' HB2' ' A' ' 42' ' ' TRP . 88.2 mt -73.85 151.47 40.49 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.478 1.111 . . . . 0.0 109.299 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -137.62 -148.55 5.42 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.508 1.13 . . . . 0.0 110.981 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . 0.436 ' OE1' ' N ' ' A' ' 62' ' ' ALA . 3.2 tp10 -119.77 141.55 49.37 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.468 0.746 . . . . 0.0 110.272 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . 0.436 ' N ' ' OE1' ' A' ' 61' ' ' GLU . . . -123.0 127.28 48.59 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.448 1.092 . . . . 0.0 109.268 -179.945 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 65.9 p -102.64 137.99 40.13 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.472 1.107 . . . . 0.0 110.008 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -113.34 -167.96 16.8 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.56 1.162 . . . . 0.0 110.982 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.06 145.88 31.77 Favored 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.479 1.779 . . . . 0.0 110.984 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 27.1 p -159.13 161.75 36.36 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.522 1.139 . . . . 0.0 110.025 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 3.1 m -62.68 125.03 22.57 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.545 1.153 . . . . 0.0 110.028 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.977 0 O-C-N 124.554 1.159 . . . . 0.0 111.004 -179.999 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.017 0 N-CA-C 110.985 -0.846 . . . . 0.0 110.985 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 18.0 m -84.71 147.25 27.0 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.525 0.78 . . . . 0.0 109.98 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.3 t -109.24 78.11 1.11 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.455 1.097 . . . . 0.0 110.003 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -96.85 -76.81 1.32 Allowed Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.476 1.11 . . . . 0.0 110.985 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 96.1 p -103.12 146.02 29.03 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.533 0.784 . . . . 0.0 109.986 -179.947 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 7.7 t -106.76 106.26 16.7 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.445 1.091 . . . . 0.0 110.051 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -65.0 151.83 51.31 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.512 1.133 . . . . 0.0 111.045 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -122.15 155.39 35.84 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.483 0.754 . . . . 0.0 109.32 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 47.8 m-85 -145.81 176.52 9.6 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.485 1.116 . . . . 0.0 110.993 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 7.7 p -135.76 141.75 41.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.434 1.084 . . . . 0.0 109.315 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.465 ' CE ' ' HA ' ' A' ' 29' ' ' ASP . 13.4 tptm -101.29 114.92 29.35 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.488 1.118 . . . . 0.0 109.291 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 9.5 mm -64.9 139.89 20.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.536 1.148 . . . . 0.0 109.277 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 53.4 mt -108.24 -20.93 12.98 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.538 1.148 . . . . 0.0 109.267 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 72.0 m-85 -140.42 137.92 34.35 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.469 1.106 . . . . 0.0 111.022 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -71.26 114.36 9.24 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.53 1.144 . . . . 0.0 109.326 -179.953 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . 0.565 ' CE2' HG13 ' A' ' 54' ' ' VAL . 74.4 t80 -105.72 145.48 31.04 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.537 1.148 . . . . 0.0 110.963 -179.945 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 47.8 m -118.13 99.19 6.72 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.491 1.12 . . . . 0.0 110.419 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -40.54 114.79 0.49 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.531 1.144 . . . . 0.0 109.289 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -95.5 -13.93 24.11 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.487 1.117 . . . . 0.0 110.29 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 1.9 m120 -122.43 175.24 6.55 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.522 1.139 . . . . 0.0 109.294 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -80.76 -27.55 36.74 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.503 1.127 . . . . 0.0 109.325 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 43.0 m-20 -92.94 40.07 1.05 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.121 . . . . 0.0 109.316 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 56.4 mt-10 -143.03 156.33 44.81 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.49 1.119 . . . . 0.0 110.325 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.446 ' HB2' ' CA ' ' A' ' 52' ' ' GLY . 6.9 tp -117.25 143.78 45.53 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.494 1.121 . . . . 0.0 109.276 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 12.8 p -98.48 122.2 41.37 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.458 1.099 . . . . 0.0 110.006 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.46 ' CG1' HD21 ' A' ' 32' ' ' LEU . 29.4 m -133.87 148.53 30.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.444 1.09 . . . . 0.0 109.314 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 5.2 mp -93.13 179.07 5.54 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.478 1.111 . . . . 0.0 109.307 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.449 ' O ' ' CB ' ' A' ' 29' ' ' ASP . 0.0 OUTLIER -83.95 137.54 33.58 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.489 1.118 . . . . 0.0 109.29 179.989 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . 0.465 ' HA ' ' CE ' ' A' ' 11' ' ' LYS . 0.5 OUTLIER 77.86 18.13 1.25 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.488 1.117 . . . . 0.0 109.317 -179.973 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -97.19 163.44 12.91 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.531 1.144 . . . . 0.0 110.311 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 73.3 t -132.77 126.56 54.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.475 1.109 . . . . 0.0 109.314 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.46 HD21 ' CG1' ' A' ' 26' ' ' VAL . 2.4 mm? -115.67 178.49 4.29 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.494 1.121 . . . . 0.0 109.308 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -101.41 111.98 24.37 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.507 1.129 . . . . 0.0 110.302 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 7.5 p -76.01 126.53 36.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.514 1.134 . . . . 0.0 109.298 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -113.42 -39.83 4.01 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.527 1.142 . . . . 0.0 109.278 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 11.4 mm-40 -129.59 124.92 34.97 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.539 1.15 . . . . 0.0 110.334 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 4.7 p-10 -136.22 173.62 11.51 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.463 1.102 . . . . 0.0 109.271 -179.944 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 90.09 -11.29 71.29 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.5 1.125 . . . . 0.0 111.054 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . 0.412 ' O ' ' C ' ' A' ' 40' ' ' GLN . 0.1 OUTLIER -103.91 166.16 10.59 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.476 0.751 . . . . 0.0 110.255 -179.979 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . 0.412 ' C ' ' O ' ' A' ' 39' ' ' ARG . 0.0 OUTLIER -38.24 -72.55 0.06 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.507 1.13 . . . . 0.0 110.287 -179.993 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' TRP . . . . . 0.58 ' CZ3' ' HD3' ' A' ' 55' ' ' PRO . 11.7 m0 -102.92 136.83 42.01 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 107.995 -1.113 . . . . 0.0 107.995 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' TRP . . . . . 0.456 ' CE3' HD13 ' A' ' 59' ' ' LEU . 38.7 m0 -84.05 162.46 20.34 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.514 1.134 . . . . 0.0 108.065 179.943 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . 0.572 ' HB2' ' CE1' ' A' ' 53' ' ' TYR . 22.0 tttt -118.04 99.97 7.24 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.476 1.11 . . . . 0.0 109.275 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.58 ' CD2' ' CG2' ' A' ' 54' ' ' VAL . 0.2 OUTLIER -96.93 166.61 11.53 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.488 1.117 . . . . 0.0 109.299 179.994 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . 0.449 ' NH1' ' O ' ' A' ' 46' ' ' SER . 45.3 ttp85 -134.07 120.03 19.68 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.499 1.124 . . . . 0.0 110.352 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' SER . . . . . 0.449 ' O ' ' NH1' ' A' ' 45' ' ' ARG . 4.2 p -67.88 164.19 20.3 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.491 1.119 . . . . 0.0 110.008 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.3 -16.44 63.56 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.481 1.113 . . . . 0.0 110.336 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 1.1 t -73.15 -20.84 60.83 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.489 1.118 . . . . 0.0 109.994 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 106.15 14.39 20.72 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.473 1.108 . . . . 0.0 110.996 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 12.0 mm100 -99.59 138.01 37.28 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.446 0.733 . . . . 0.0 110.316 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -122.54 130.33 52.91 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.525 1.141 . . . . 0.0 109.275 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . 0.446 ' CA ' ' HB2' ' A' ' 24' ' ' LEU . . . -150.12 163.12 29.4 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.524 1.14 . . . . 0.0 111.033 179.946 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' TYR . . . . . 0.572 ' CE1' ' HB2' ' A' ' 43' ' ' LYS . 56.8 m-85 -93.51 151.26 19.83 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.555 0.797 . . . . 0.0 111.025 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . 0.58 ' CG2' ' CD2' ' A' ' 44' ' ' LEU . 0.0 OUTLIER -151.44 164.08 21.45 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.533 1.146 . . . . 0.0 109.25 -179.968 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . 0.58 ' HD3' ' CZ3' ' A' ' 41' ' ' TRP . 18.4 Cg_endo -74.99 146.95 33.32 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.463 1.77 . . . . 0.0 111.031 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 30.8 p -84.76 2.17 43.3 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.519 1.137 . . . . 0.0 108.288 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 51.6 t30 -73.79 -19.02 60.89 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.501 1.126 . . . . 0.0 109.306 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 10.3 pt -109.11 -17.22 8.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.49 1.119 . . . . 0.0 109.349 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . 0.456 HD13 ' CE3' ' A' ' 42' ' ' TRP . 92.2 mt -72.03 156.27 39.41 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.525 1.14 . . . . 0.0 109.323 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -144.5 -153.01 5.75 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.545 1.153 . . . . 0.0 110.986 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 21.1 tt0 -109.9 140.51 43.79 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.515 0.773 . . . . 0.0 110.299 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -112.21 144.49 41.51 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.47 1.106 . . . . 0.0 109.3 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 23.3 t -110.53 -53.6 2.67 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.487 1.117 . . . . 0.0 109.97 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 178.92 171.79 42.53 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.565 1.166 . . . . 0.0 111.018 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 60.87 5.54 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.479 1.778 . . . . 0.0 110.986 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 66.07 92.21 0.08 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.464 1.103 . . . . 0.0 109.983 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 82.9 p -158.7 96.26 1.36 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.487 1.117 . . . . 0.0 110.029 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.989 0 O-C-N 124.501 1.125 . . . . 0.0 110.988 -179.945 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.968 0 N-CA-C 110.989 -0.844 . . . . 0.0 110.989 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -67.38 -58.59 4.49 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.483 0.754 . . . . 0.0 109.98 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 64.83 122.03 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.444 1.09 . . . . 0.0 109.972 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 80.54 126.09 0.66 Allowed Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.527 1.142 . . . . 0.0 111.017 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 83.8 p -134.73 116.82 15.33 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.502 0.766 . . . . 0.0 109.986 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 21.7 t -88.27 110.67 20.93 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.469 1.106 . . . . 0.0 109.989 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -149.18 -169.12 15.4 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.492 1.12 . . . . 0.0 110.981 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 3.4 tttt -101.17 148.78 24.69 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.544 0.79 . . . . 0.0 109.304 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . 0.506 ' CE1' ' HG2' ' A' ' 33' ' ' GLU . 72.3 m-85 -141.74 157.81 44.58 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.559 1.162 . . . . 0.0 111.017 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 8.9 p -121.8 140.33 46.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.482 1.114 . . . . 0.0 109.256 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 4.2 tttt -105.17 104.2 13.89 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.496 1.122 . . . . 0.0 109.31 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 39.7 mm -44.36 143.99 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.52 1.137 . . . . 0.0 109.309 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 77.3 mt -108.89 -38.68 5.53 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.49 1.119 . . . . 0.0 109.306 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 82.2 m-85 -128.33 138.22 52.28 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.484 1.115 . . . . 0.0 111.013 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -62.32 108.46 1.1 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.495 1.122 . . . . 0.0 109.329 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . 0.561 ' CD2' HG13 ' A' ' 54' ' ' VAL . 63.7 t80 -108.69 136.32 48.47 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.47 1.106 . . . . 0.0 110.975 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 20.0 m -112.72 127.7 56.21 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.471 1.107 . . . . 0.0 110.413 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -58.58 113.38 1.98 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.527 1.142 . . . . 0.0 109.302 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -104.25 10.11 35.77 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.522 1.139 . . . . 0.0 110.312 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 4.9 m-80 -155.04 175.94 13.18 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.501 1.125 . . . . 0.0 109.301 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -73.2 -37.15 66.57 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.439 1.087 . . . . 0.0 109.312 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 80.2 m-20 -89.8 45.81 1.31 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.515 1.134 . . . . 0.0 109.271 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 50.7 mt-10 -146.35 147.87 31.77 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.433 1.083 . . . . 0.0 110.288 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.477 ' HB2' ' CA ' ' A' ' 52' ' ' GLY . 12.9 tp -109.87 151.01 27.57 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.479 1.112 . . . . 0.0 109.345 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 3.0 p -105.68 114.89 29.32 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.515 1.135 . . . . 0.0 109.993 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.463 ' CG1' HD21 ' A' ' 32' ' ' LEU . 34.5 m -128.8 176.6 7.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.466 1.104 . . . . 0.0 109.275 -179.95 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 9.7 mt -127.52 179.39 5.52 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.498 1.124 . . . . 0.0 109.29 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.423 ' HG2' ' N ' ' A' ' 29' ' ' ASP . 1.7 ttmt -82.02 143.12 31.78 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.524 1.14 . . . . 0.0 109.291 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . 0.423 ' N ' ' HG2' ' A' ' 28' ' ' LYS . 0.1 OUTLIER 71.0 27.39 3.37 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.535 1.147 . . . . 0.0 109.335 -179.968 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 10.8 mt-10 -107.75 161.94 14.44 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.502 1.126 . . . . 0.0 110.319 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 99.1 t -134.05 118.04 27.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.549 1.156 . . . . 0.0 109.269 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.463 HD21 ' CG1' ' A' ' 26' ' ' VAL . 2.9 mm? -108.85 171.36 7.47 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.505 1.128 . . . . 0.0 109.326 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . 0.506 ' HG2' ' CE1' ' A' ' 9' ' ' TYR . 0.3 OUTLIER -93.3 114.24 26.64 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.48 1.112 . . . . 0.0 110.284 -179.986 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 14.4 p -82.76 118.94 31.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.497 1.123 . . . . 0.0 109.322 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -104.65 -48.15 3.87 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.47 1.106 . . . . 0.0 109.334 179.954 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -110.37 135.2 51.46 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.517 1.136 . . . . 0.0 110.308 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 1.9 p-10 -146.07 176.44 9.72 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.456 1.098 . . . . 0.0 109.312 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 68.16 17.7 70.3 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.518 1.137 . . . . 0.0 110.991 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . 0.403 ' O ' ' C ' ' A' ' 40' ' ' GLN . 0.0 OUTLIER -128.02 166.04 19.16 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.478 0.752 . . . . 0.0 110.299 -179.946 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . 0.403 ' C ' ' O ' ' A' ' 39' ' ' ARG . 12.1 mt-30 -38.2 -74.99 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.509 1.131 . . . . 0.0 110.253 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' TRP . . . . . 0.523 ' CZ3' ' HD3' ' A' ' 55' ' ' PRO . 11.1 m95 -105.66 138.27 42.14 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.495 1.122 . . . . 0.0 107.998 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' TRP . . . . . 0.4 ' CE3' HD11 ' A' ' 59' ' ' LEU . 42.3 m0 -84.01 161.0 20.89 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 107.991 -1.114 . . . . 0.0 107.991 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . 0.571 ' HB2' ' CE1' ' A' ' 53' ' ' TYR . 12.3 tttp -119.73 99.69 6.8 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.513 1.133 . . . . 0.0 109.278 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.489 ' CD2' ' CG2' ' A' ' 54' ' ' VAL . 0.5 OUTLIER -93.9 166.9 11.95 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.544 1.153 . . . . 0.0 109.285 179.992 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 12.0 ttp85 -143.06 126.14 16.37 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.469 1.106 . . . . 0.0 110.263 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -84.74 166.87 16.64 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.534 1.147 . . . . 0.0 109.999 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.9 -12.75 60.43 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.516 1.135 . . . . 0.0 110.248 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -74.89 -2.19 25.78 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.521 1.138 . . . . 0.0 110.041 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 85.4 -0.32 88.48 Favored Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.482 1.114 . . . . 0.0 110.992 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 1.4 mt-30 -88.71 148.9 23.75 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.53 0.782 . . . . 0.0 110.268 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . 0.465 ' CA ' HD11 ' A' ' 24' ' ' LEU . . . -145.74 130.22 17.82 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.494 1.121 . . . . 0.0 109.331 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . 0.477 ' CA ' ' HB2' ' A' ' 24' ' ' LEU . . . -141.92 170.56 24.84 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.49 1.119 . . . . 0.0 111.001 -179.946 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' TYR . . . . . 0.571 ' CE1' ' HB2' ' A' ' 43' ' ' LYS . 39.7 m-85 -96.07 145.67 25.28 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.502 0.766 . . . . 0.0 111.023 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . 0.561 HG13 ' CD2' ' A' ' 16' ' ' PHE . 0.0 OUTLIER -149.73 164.75 19.59 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.505 1.128 . . . . 0.0 109.325 179.965 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . 0.523 ' HD3' ' CZ3' ' A' ' 41' ' ' TRP . 18.3 Cg_endo -75.03 143.71 29.26 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.479 1.779 . . . . 0.0 111.012 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 30.5 p -80.15 -2.0 42.74 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.536 1.147 . . . . 0.0 108.315 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 2.0 t-20 -68.25 -33.67 74.81 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.499 1.124 . . . . 0.0 109.329 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 8.4 pt -93.1 -21.54 6.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.535 1.147 . . . . 0.0 109.322 179.931 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . 0.4 HD11 ' CE3' ' A' ' 42' ' ' TRP . 67.4 mt -73.69 159.53 32.88 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.477 1.111 . . . . 0.0 109.335 179.952 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -155.22 148.02 17.76 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.523 1.14 . . . . 0.0 111.011 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 1.2 pt-20 -60.93 128.22 35.39 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.486 0.757 . . . . 0.0 110.331 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -100.49 159.74 14.9 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.55 1.156 . . . . 0.0 109.323 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 94.9 p -44.27 123.04 3.25 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.492 1.12 . . . . 0.0 110.027 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -172.15 -179.72 43.23 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.447 1.092 . . . . 0.0 110.994 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -33.99 4.15 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.531 1.806 . . . . 0.0 110.979 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 33.7 m 61.1 -92.06 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.512 1.133 . . . . 0.0 110.01 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -105.86 97.41 7.24 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.451 1.094 . . . . 0.0 109.962 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.972 0 O-C-N 124.527 1.142 . . . . 0.0 111.009 179.985 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.99 0 N-CA-C 111.002 -0.839 . . . . 0.0 111.002 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 99.2 p -151.42 139.11 19.73 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.511 0.771 . . . . 0.0 109.945 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.7 m 57.05 89.85 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.46 1.1 . . . . 0.0 110.014 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 125.16 140.08 5.35 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.533 1.146 . . . . 0.0 110.971 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 73.6 p -98.85 99.68 10.78 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.504 0.767 . . . . 0.0 110.019 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 73.57 -66.98 0.28 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.487 1.117 . . . . 0.0 110.018 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 106.69 -176.58 21.54 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.517 1.136 . . . . 0.0 111.012 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -119.99 157.74 28.22 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.485 0.756 . . . . 0.0 109.329 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . 0.55 ' CE2' ' HG2' ' A' ' 33' ' ' GLU . 73.4 m-85 -137.37 175.51 9.54 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.488 1.118 . . . . 0.0 111.006 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 3.5 p -140.84 131.26 27.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.481 1.113 . . . . 0.0 109.308 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.466 ' CE ' ' HA ' ' A' ' 29' ' ' ASP . 0.0 OUTLIER -96.7 106.28 18.53 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.462 1.102 . . . . 0.0 109.327 -179.995 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 50.2 mm -49.39 141.1 2.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.561 1.163 . . . . 0.0 109.273 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 34.3 mt -105.05 -35.64 7.57 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.487 1.117 . . . . 0.0 109.274 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 97.2 m-85 -126.6 142.03 51.67 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.532 1.145 . . . . 0.0 110.986 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 1.4 p30 -71.56 120.53 17.28 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.483 1.114 . . . . 0.0 109.264 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 53.9 t80 -120.66 147.37 45.34 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.515 1.134 . . . . 0.0 110.928 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 97.7 m -112.58 132.74 54.98 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.519 1.137 . . . . 0.0 110.393 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . 0.415 ' HB1' ' N ' ' A' ' 25' ' ' SER . . . -75.99 116.88 17.13 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.5 1.125 . . . . 0.0 109.294 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -80.31 -25.1 39.51 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.552 1.157 . . . . 0.0 110.248 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 7.4 m-80 -145.64 -178.32 6.03 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.536 1.148 . . . . 0.0 109.291 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -70.25 -29.93 66.86 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.44 1.088 . . . . 0.0 109.281 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 13.9 t30 -63.66 -13.32 41.6 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.472 1.108 . . . . 0.0 109.295 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 -115.19 154.67 28.58 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.536 1.148 . . . . 0.0 110.303 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.481 ' HB2' ' CA ' ' A' ' 52' ' ' GLY . 5.0 tp -114.19 131.26 56.52 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.494 1.121 . . . . 0.0 109.277 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' SER . . . . . 0.415 ' N ' ' HB1' ' A' ' 18' ' ' ALA . 4.0 p -81.36 117.03 21.49 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.465 1.103 . . . . 0.0 109.962 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 18.4 m -124.27 176.86 5.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.467 1.104 . . . . 0.0 109.294 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.431 ' HG ' ' N ' ' A' ' 28' ' ' LYS . 61.6 tp -132.12 168.76 17.42 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.517 1.135 . . . . 0.0 109.294 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.475 ' O ' ' CB ' ' A' ' 29' ' ' ASP . 0.0 OUTLIER -79.11 133.13 36.77 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.533 1.145 . . . . 0.0 109.246 -179.965 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . 0.475 ' CB ' ' O ' ' A' ' 28' ' ' LYS . 4.1 t70 80.34 28.96 0.25 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.484 1.115 . . . . 0.0 109.283 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 6.6 mt-10 -109.4 167.38 10.16 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.488 1.118 . . . . 0.0 110.305 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 45.9 t -133.28 113.41 19.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.527 1.142 . . . . 0.0 109.282 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.417 ' N ' HD22 ' A' ' 32' ' ' LEU . 3.2 mm? -105.82 170.69 7.75 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.532 1.145 . . . . 0.0 109.321 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . 0.55 ' HG2' ' CE2' ' A' ' 9' ' ' TYR . 0.9 OUTLIER -99.47 124.42 44.62 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.466 1.104 . . . . 0.0 110.275 -179.977 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.441 ' N ' ' OE1' ' A' ' 33' ' ' GLU . 8.9 p -90.7 123.07 42.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.522 1.139 . . . . 0.0 109.337 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -112.49 -40.42 4.1 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.462 1.101 . . . . 0.0 109.273 -179.953 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -126.17 127.8 46.28 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.544 1.153 . . . . 0.0 110.316 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 3.1 p-10 -142.73 -179.64 6.45 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.515 1.134 . . . . 0.0 109.283 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 97.46 -6.42 63.16 Favored Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.505 1.128 . . . . 0.0 111.012 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 3.9 ttt85 -116.51 164.53 14.44 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.555 0.797 . . . . 0.0 110.333 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 27.7 mt-30 -41.45 -68.3 0.19 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.489 1.118 . . . . 0.0 110.287 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' TRP . . . . . 0.455 ' CE3' ' C ' ' A' ' 54' ' ' VAL . 13.2 m95 -97.13 131.25 44.07 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.523 1.14 . . . . 0.0 107.986 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' TRP . . . . . 0.437 ' CE3' ' CD1' ' A' ' 59' ' ' LEU . 38.2 m0 -90.13 159.66 16.67 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.506 1.129 . . . . 0.0 107.979 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . 0.403 ' HB2' ' CE1' ' A' ' 53' ' ' TYR . 14.8 tttt -109.66 99.85 8.97 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.509 1.131 . . . . 0.0 109.269 -179.939 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.542 ' N ' ' CD2' ' A' ' 44' ' ' LEU . 0.5 OUTLIER -96.82 167.14 11.28 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.493 1.12 . . . . 0.0 109.345 179.972 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 24.3 ttp180 -136.85 129.46 30.32 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.494 1.121 . . . . 0.0 110.338 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 27.6 p -77.57 165.82 23.82 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.555 1.159 . . . . 0.0 110.031 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 4.7 mmm180 -68.95 -11.68 60.92 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.514 1.134 . . . . 0.0 110.239 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -78.23 -16.48 57.79 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.488 1.117 . . . . 0.0 109.961 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 102.69 5.97 47.34 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.483 1.114 . . . . 0.0 110.995 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 30.4 mm-40 -88.1 141.79 28.29 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.516 0.774 . . . . 0.0 110.309 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -127.79 129.14 46.52 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.453 1.096 . . . . 0.0 109.336 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . 0.481 ' CA ' ' HB2' ' A' ' 24' ' ' LEU . . . -150.25 168.09 30.2 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.435 1.084 . . . . 0.0 110.989 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' TYR . . . . . 0.403 ' CE1' ' HB2' ' A' ' 43' ' ' LYS . 59.8 m-85 -96.2 153.35 17.85 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.521 0.777 . . . . 0.0 111.011 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . 0.472 ' CG2' HD21 ' A' ' 44' ' ' LEU . 0.0 OUTLIER -152.97 167.02 14.2 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.468 1.105 . . . . 0.0 109.269 -179.995 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . 0.404 ' HB2' ' ND2' ' A' ' 57' ' ' ASN . 18.3 Cg_endo -75.01 150.98 38.89 Favored 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.48 1.779 . . . . 0.0 111.002 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 30.9 p -92.34 -15.48 27.27 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.459 1.1 . . . . 0.0 108.299 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . 0.404 ' ND2' ' HB2' ' A' ' 55' ' ' PRO . 4.0 p30 -65.14 -12.14 47.8 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.53 1.144 . . . . 0.0 109.3 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 29.1 pt -108.75 -28.79 2.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.48 1.113 . . . . 0.0 109.329 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . 0.437 ' CD1' ' CE3' ' A' ' 42' ' ' TRP . 85.3 mt -64.3 171.12 3.27 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.49 1.119 . . . . 0.0 109.293 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -155.2 -146.47 4.44 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.459 1.099 . . . . 0.0 111.014 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 25.4 tt0 -118.28 142.99 46.93 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.547 0.793 . . . . 0.0 110.34 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -122.05 125.94 47.34 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.533 1.146 . . . . 0.0 109.299 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 70.68 85.83 0.13 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.487 1.117 . . . . 0.0 109.973 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -51.47 157.2 3.01 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.501 1.126 . . . . 0.0 110.988 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 98.44 1.16 Allowed 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.502 1.79 . . . . 0.0 111.006 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 41.31 91.0 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.448 1.092 . . . . 0.0 110.005 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -165.05 157.11 15.5 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.517 1.136 . . . . 0.0 109.982 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.985 0 O-C-N 124.526 1.141 . . . . 0.0 110.994 179.98 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.006 0 N-CA-C 110.961 -0.856 . . . . 0.0 110.961 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 13.9 m -51.45 -58.27 6.74 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.484 0.755 . . . . 0.0 109.972 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -171.08 -58.08 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.521 1.138 . . . . 0.0 110.016 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 146.01 67.3 0.01 OUTLIER Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.482 1.114 . . . . 0.0 111.03 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.6 m 63.28 133.42 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.495 0.762 . . . . 0.0 110.001 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 60.7 p -54.9 126.8 25.87 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.485 1.116 . . . . 0.0 110.016 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -90.12 -160.69 36.76 Favored Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.552 1.158 . . . . 0.0 110.959 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -113.3 160.58 18.19 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.552 0.795 . . . . 0.0 109.314 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 74.6 m-85 -139.12 164.15 30.54 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.499 1.124 . . . . 0.0 110.952 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 8.5 p -128.7 137.43 57.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.46 1.1 . . . . 0.0 109.327 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.403 ' N ' ' HB3' ' A' ' 62' ' ' ALA . 4.0 tttt -98.41 111.02 23.51 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.424 1.078 . . . . 0.0 109.309 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 43.5 mm -60.46 133.39 26.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.451 1.094 . . . . 0.0 109.303 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.536 ' HB2' ' CD1' ' A' ' 14' ' ' TYR . 71.3 mt -97.11 -34.25 11.22 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.123 . . . . 0.0 109.303 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . 0.536 ' CD1' ' HB2' ' A' ' 13' ' ' LEU . 10.2 m-85 -131.26 133.23 45.23 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.495 1.122 . . . . 0.0 110.981 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 1.2 p30 -63.85 113.73 3.61 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.496 1.123 . . . . 0.0 109.329 179.936 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . 0.425 ' CD2' HG13 ' A' ' 54' ' ' VAL . 87.1 t80 -104.09 146.71 28.34 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.513 1.133 . . . . 0.0 110.995 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 5.7 m -118.35 110.22 17.22 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.52 1.138 . . . . 0.0 110.385 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -43.35 114.05 0.58 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.506 1.129 . . . . 0.0 109.312 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -103.64 12.19 35.16 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.487 1.117 . . . . 0.0 110.318 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 1.3 m-80 -158.78 169.81 23.54 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.566 1.166 . . . . 0.0 109.316 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -70.06 -32.5 70.62 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.456 1.097 . . . . 0.0 109.276 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 39.9 m-20 -92.06 42.79 1.11 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.444 1.09 . . . . 0.0 109.276 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 41.5 mt-10 -146.14 146.19 30.77 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.511 1.132 . . . . 0.0 110.323 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.475 ' HB2' ' CA ' ' A' ' 52' ' ' GLY . 4.8 tp -108.87 145.53 35.18 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.481 1.113 . . . . 0.0 109.362 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 7.2 p -98.89 119.97 38.56 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.5 1.125 . . . . 0.0 110.0 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.403 ' CG1' HD22 ' A' ' 32' ' ' LEU . 26.6 m -133.39 156.27 41.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.534 1.146 . . . . 0.0 109.318 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.48 ' CD2' ' N ' ' A' ' 27' ' ' LEU . 1.2 mm? -105.87 179.14 4.36 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.545 1.153 . . . . 0.0 109.281 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.401 ' HG2' ' N ' ' A' ' 29' ' ' ASP . 7.2 ttmt -81.4 142.84 32.61 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.529 1.143 . . . . 0.0 109.31 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . 0.401 ' N ' ' HG2' ' A' ' 28' ' ' LYS . 16.9 t0 72.01 28.47 2.54 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.494 1.121 . . . . 0.0 109.33 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 17.3 mt-10 -107.84 162.03 14.37 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.531 1.144 . . . . 0.0 110.305 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 73.5 t -133.95 119.91 33.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.496 1.122 . . . . 0.0 109.262 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.403 HD22 ' CG1' ' A' ' 26' ' ' VAL . 2.4 mm? -108.8 178.39 4.49 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.472 1.107 . . . . 0.0 109.295 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 4.7 tt0 -104.4 104.11 13.92 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.513 1.133 . . . . 0.0 110.294 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 14.6 p -68.1 117.31 9.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.451 1.094 . . . . 0.0 109.295 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 1.2 mt -98.25 -47.97 5.25 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.524 1.14 . . . . 0.0 109.322 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 7.7 mm-40 -128.04 124.28 36.72 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.542 1.151 . . . . 0.0 110.256 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -135.51 -177.91 4.88 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.527 1.142 . . . . 0.0 109.313 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 90.85 -10.02 76.08 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.497 1.123 . . . . 0.0 111.059 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 4.6 ttt85 -109.35 165.42 11.64 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.465 0.744 . . . . 0.0 110.273 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 25.7 mt-30 -38.92 -63.78 0.5 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.52 1.138 . . . . 0.0 110.279 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' TRP . . . . . 0.427 ' CE3' ' C ' ' A' ' 54' ' ' VAL . 13.1 m95 -105.47 132.67 51.36 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.52 1.137 . . . . 0.0 108.048 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' TRP . . . . . 0.473 ' CE3' HD13 ' A' ' 59' ' ' LEU . 43.9 m0 -87.51 163.57 16.6 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.575 1.172 . . . . 0.0 108.024 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . 0.538 ' HB2' ' CE1' ' A' ' 53' ' ' TYR . 56.4 tttt -115.48 99.84 7.65 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.501 1.126 . . . . 0.0 109.267 -179.946 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.517 ' CD2' ' CG2' ' A' ' 54' ' ' VAL . 0.1 OUTLIER -102.06 164.09 11.89 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.546 1.154 . . . . 0.0 109.24 -179.98 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . 0.466 ' CG ' ' O ' ' A' ' 50' ' ' GLN . 23.0 ttp180 -131.57 135.58 47.12 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.515 1.134 . . . . 0.0 110.316 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 96.3 p -85.01 165.39 17.59 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.49 1.119 . . . . 0.0 110.016 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.89 -15.78 63.59 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.491 1.12 . . . . 0.0 110.293 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -75.95 -1.59 26.33 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.51 1.131 . . . . 0.0 109.983 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 82.7 29.79 34.42 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.555 1.16 . . . . 0.0 110.958 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . 0.466 ' O ' ' CG ' ' A' ' 45' ' ' ARG . 14.1 mm100 -112.97 153.69 27.64 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.502 0.766 . . . . 0.0 110.334 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . 0.457 ' CA ' HD13 ' A' ' 24' ' ' LEU . . . -137.37 129.47 29.24 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.524 1.14 . . . . 0.0 109.294 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . 0.475 ' CA ' ' HB2' ' A' ' 24' ' ' LEU . . . -150.24 153.69 25.21 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.509 1.131 . . . . 0.0 110.996 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' TYR . . . . . 0.538 ' CE1' ' HB2' ' A' ' 43' ' ' LYS . 41.6 m-85 -85.79 144.14 27.91 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.484 0.755 . . . . 0.0 110.974 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . 0.517 ' CG2' ' CD2' ' A' ' 44' ' ' LEU . 0.0 OUTLIER -143.9 165.89 22.09 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.478 1.111 . . . . 0.0 109.311 179.971 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 144.59 30.43 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.527 1.804 . . . . 0.0 111.058 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 26.9 p -83.27 0.48 45.44 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.533 1.146 . . . . 0.0 108.327 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -71.76 -29.14 64.17 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.479 1.112 . . . . 0.0 109.309 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 9.0 pt -97.44 -21.73 5.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.446 1.092 . . . . 0.0 109.302 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . 0.473 HD13 ' CE3' ' A' ' 42' ' ' TRP . 86.1 mt -65.33 164.25 13.95 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.477 1.111 . . . . 0.0 109.317 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -171.04 150.12 13.37 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.517 1.136 . . . . 0.0 110.959 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . 0.447 ' O ' ' CG ' ' A' ' 61' ' ' GLU . 4.9 pt-20 -60.94 120.62 10.56 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.507 0.769 . . . . 0.0 110.303 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . 0.403 ' HB3' ' N ' ' A' ' 11' ' ' LYS . . . -92.99 139.54 30.41 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.522 1.139 . . . . 0.0 109.315 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -142.93 142.0 31.59 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.451 1.094 . . . . 0.0 110.007 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -124.84 160.16 19.46 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.537 1.148 . . . . 0.0 110.977 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 -58.56 0.05 OUTLIER 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.526 1.803 . . . . 0.0 111.0 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 70.11 134.21 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.474 1.109 . . . . 0.0 110.029 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 95.8 p -60.52 141.7 56.21 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.504 1.127 . . . . 0.0 109.99 -179.941 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.996 0 O-C-N 124.475 1.109 . . . . 0.0 111.009 -179.968 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.98 0 N-CA-C 111.028 -0.829 . . . . 0.0 111.028 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -160.98 105.42 1.35 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.509 0.77 . . . . 0.0 110.008 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 60.4 p -144.6 97.11 2.98 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.542 1.151 . . . . 0.0 109.998 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -83.97 -114.83 0.63 Allowed Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.44 1.088 . . . . 0.0 111.016 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 7.5 t -57.74 158.83 5.82 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.532 0.783 . . . . 0.0 110.039 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 10.0 t -173.61 85.77 0.05 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.54 1.15 . . . . 0.0 109.969 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -167.83 78.85 0.11 Allowed Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.534 1.146 . . . . 0.0 110.999 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -86.18 168.15 14.25 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.436 0.727 . . . . 0.0 109.294 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 66.1 m-85 -144.4 161.73 38.27 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.497 1.123 . . . . 0.0 110.987 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 14.5 p -133.81 147.53 30.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.515 1.134 . . . . 0.0 109.308 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.44 ' CE ' ' HA ' ' A' ' 29' ' ' ASP . 14.1 tttt -107.23 127.38 53.48 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.532 1.145 . . . . 0.0 109.309 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.459 ' CG2' ' O ' ' A' ' 14' ' ' TYR . 22.9 mm -72.67 127.34 34.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.541 1.151 . . . . 0.0 109.273 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 70.5 mt -94.61 -21.8 18.58 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.525 1.141 . . . . 0.0 109.283 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . 0.459 ' O ' ' CG2' ' A' ' 12' ' ' ILE . 97.3 m-85 -142.44 143.55 32.67 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.47 1.107 . . . . 0.0 111.006 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -72.62 110.94 7.35 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.487 1.117 . . . . 0.0 109.268 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . 0.546 ' CD2' HG12 ' A' ' 54' ' ' VAL . 68.0 t80 -109.6 141.31 42.3 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.49 1.119 . . . . 0.0 111.044 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 3.9 m -120.43 118.92 31.55 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.556 1.16 . . . . 0.0 110.406 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -40.38 115.62 0.58 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.499 1.124 . . . . 0.0 109.285 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 30.7 mtt180 -94.79 -11.22 29.35 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.484 1.115 . . . . 0.0 110.335 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -140.22 -172.21 3.37 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.447 1.092 . . . . 0.0 109.299 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -79.38 -28.49 41.88 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.482 1.114 . . . . 0.0 109.308 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 7.5 m120 -96.72 43.02 1.08 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.511 1.132 . . . . 0.0 109.285 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 41.7 mt-10 -137.67 159.72 41.18 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.512 1.133 . . . . 0.0 110.256 -180.0 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.422 HD11 ' N ' ' A' ' 52' ' ' GLY . 7.2 tp -122.58 142.94 50.09 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.494 1.121 . . . . 0.0 109.263 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 2.3 p -99.59 115.06 28.52 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.513 1.133 . . . . 0.0 110.023 179.936 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 33.7 m -134.68 158.56 41.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.524 1.14 . . . . 0.0 109.324 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.463 ' CB ' ' OE2' ' A' ' 30' ' ' GLU . 3.2 mm? -101.34 178.96 4.5 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.496 1.122 . . . . 0.0 109.295 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.535 ' O ' ' CB ' ' A' ' 29' ' ' ASP . 0.0 OUTLIER -87.29 141.47 28.62 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.523 1.139 . . . . 0.0 109.272 -179.973 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . 0.535 ' CB ' ' O ' ' A' ' 28' ' ' LYS . 17.6 t0 84.8 -9.47 0.87 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.499 1.124 . . . . 0.0 109.315 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . 0.463 ' OE2' ' CB ' ' A' ' 27' ' ' LEU . 0.2 OUTLIER -68.77 167.53 15.24 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.5 1.125 . . . . 0.0 110.286 -179.962 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 54.4 t -134.47 121.72 37.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.485 1.116 . . . . 0.0 109.294 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -113.24 176.36 5.06 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.466 1.104 . . . . 0.0 109.282 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . 0.438 ' HG2' ' CD2' ' A' ' 35' ' ' LEU . 8.3 tt0 -108.01 118.82 37.75 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.48 1.113 . . . . 0.0 110.288 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 8.8 p -80.17 132.2 32.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.531 1.144 . . . . 0.0 109.293 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.438 ' CD2' ' HG2' ' A' ' 33' ' ' GLU . 0.6 OUTLIER -117.0 -51.12 2.57 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.562 1.164 . . . . 0.0 109.266 -179.955 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 7.0 mm-40 -116.69 124.15 48.99 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.506 1.129 . . . . 0.0 110.301 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 1.1 p-10 -133.63 173.62 11.31 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.473 1.108 . . . . 0.0 109.312 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 99.42 -13.98 61.1 Favored Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.431 1.082 . . . . 0.0 110.998 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -107.4 165.15 11.6 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.462 0.743 . . . . 0.0 110.254 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -45.47 -67.79 0.25 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.465 1.103 . . . . 0.0 110.35 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' TRP . . . . . 0.441 ' CE3' ' C ' ' A' ' 54' ' ' VAL . 19.0 m95 -93.08 133.67 36.0 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.518 1.136 . . . . 0.0 108.014 179.943 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' TRP . . . . . 0.534 ' CE3' HD11 ' A' ' 59' ' ' LEU . 47.0 m0 -90.08 162.91 15.09 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.502 1.126 . . . . 0.0 107.969 -179.952 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 10.4 tttp -115.0 99.75 7.68 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.532 1.145 . . . . 0.0 109.277 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.531 ' N ' ' CD2' ' A' ' 44' ' ' LEU . 0.1 OUTLIER -102.54 160.85 14.2 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.534 1.147 . . . . 0.0 109.293 179.969 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . 0.494 ' CG ' ' O ' ' A' ' 50' ' ' GLN . 15.1 ttp180 -132.71 122.67 24.94 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.497 1.123 . . . . 0.0 110.283 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 1.5 t -67.91 163.31 22.31 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.476 1.11 . . . . 0.0 110.024 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.32 -22.89 63.74 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.465 1.103 . . . . 0.0 110.276 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -68.03 -20.14 64.97 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.486 1.116 . . . . 0.0 110.029 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 108.26 -11.75 36.82 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.467 1.104 . . . . 0.0 110.981 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . 0.494 ' O ' ' CG ' ' A' ' 45' ' ' ARG . 5.8 mm-40 -64.59 152.61 41.63 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.466 0.744 . . . . 0.0 110.32 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -138.44 130.37 28.21 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.438 1.086 . . . . 0.0 109.271 -179.945 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . 0.422 ' N ' HD11 ' A' ' 24' ' ' LEU . . . -149.96 175.05 29.25 Favored Glycine 0 CA--C 1.531 1.066 0 O-C-N 124.485 1.115 . . . . 0.0 111.005 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 38.2 m-85 -105.86 143.43 34.02 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.527 0.781 . . . . 0.0 111.009 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . 0.546 HG12 ' CD2' ' A' ' 16' ' ' PHE . 0.0 OUTLIER -145.01 165.45 22.15 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.513 1.133 . . . . 0.0 109.277 -179.957 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 146.66 33.13 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.5 1.79 . . . . 0.0 111.015 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 30.0 p -83.82 0.59 46.86 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 0.0 108.33 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 23.8 m-20 -74.31 -26.2 60.03 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.477 1.111 . . . . 0.0 109.296 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 19.4 pt -98.82 -25.15 4.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.476 1.11 . . . . 0.0 109.319 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . 0.534 HD11 ' CE3' ' A' ' 42' ' ' TRP . 74.0 mt -68.17 154.29 42.01 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.509 1.13 . . . . 0.0 109.288 -179.95 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -156.46 151.67 23.09 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.449 1.093 . . . . 0.0 111.045 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 1.3 pm0 -60.79 138.61 58.1 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.456 0.739 . . . . 0.0 110.35 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -112.44 156.28 22.82 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.549 1.155 . . . . 0.0 109.356 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 5.9 t -111.32 73.53 0.82 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.476 1.11 . . . . 0.0 110.013 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -79.02 164.96 50.46 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.504 1.128 . . . . 0.0 111.005 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 146.95 33.14 Favored 'Trans proline' 0 C--N 1.361 1.184 0 O-C-N 124.493 1.786 . . . . 0.0 110.948 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 69.6 m -114.45 -56.66 2.36 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.533 1.146 . . . . 0.0 110.056 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 23.1 t -76.72 165.06 25.25 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.476 1.11 . . . . 0.0 110.012 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.993 0 O-C-N 124.523 1.139 . . . . 0.0 110.995 -179.963 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.975 0 N-CA-C 111.043 -0.823 . . . . 0.0 111.043 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.5 t -118.66 164.93 14.62 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.505 0.768 . . . . 0.0 110.021 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.1 m -40.15 -63.48 0.61 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.493 1.12 . . . . 0.0 109.978 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 61.39 69.14 1.38 Allowed Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.518 1.136 . . . . 0.0 111.001 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.3 t 63.11 88.39 0.1 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.483 0.755 . . . . 0.0 110.025 180.0 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.3 m -76.6 150.03 36.51 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.508 1.13 . . . . 0.0 109.952 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 170.4 -135.85 3.71 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.488 1.117 . . . . 0.0 110.979 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -120.4 167.83 11.93 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.516 0.774 . . . . 0.0 109.283 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 91.5 m-85 -143.66 168.59 19.54 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.427 1.079 . . . . 0.0 111.025 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . 0.439 ' CG2' ' HB3' ' A' ' 59' ' ' LEU . 4.9 p -134.17 135.58 54.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.495 1.122 . . . . 0.0 109.269 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 12.5 tttt -93.07 121.67 34.65 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.501 1.125 . . . . 0.0 109.279 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.469 ' CG2' ' O ' ' A' ' 27' ' ' LEU . 34.4 mm -66.38 111.26 1.65 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.5 1.125 . . . . 0.0 109.311 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 87.1 mt -76.6 -28.53 56.18 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.539 1.149 . . . . 0.0 109.3 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . 0.463 ' O ' ' CG2' ' A' ' 12' ' ' ILE . 71.1 m-85 -142.2 145.07 33.73 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.549 1.156 . . . . 0.0 110.964 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . 0.41 ' N ' ' HB2' ' A' ' 28' ' ' LYS . 5.2 p-10 -72.28 125.28 26.95 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.487 1.117 . . . . 0.0 109.264 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . 0.556 ' CD2' HG13 ' A' ' 54' ' ' VAL . 81.6 t80 -125.19 145.0 50.17 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.505 1.128 . . . . 0.0 110.969 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 3.5 m -121.92 114.5 21.08 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.451 1.095 . . . . 0.0 110.424 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -40.37 116.18 0.65 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.449 1.093 . . . . 0.0 109.265 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 25.7 mmm180 -93.93 -14.67 25.73 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.504 1.128 . . . . 0.0 110.263 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -132.42 -175.25 3.69 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.528 1.142 . . . . 0.0 109.3 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -80.21 -28.23 38.68 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.52 1.137 . . . . 0.0 109.321 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 22.5 m-80 -93.04 42.61 1.1 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.544 1.153 . . . . 0.0 109.318 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 8.3 mt-10 -142.43 162.04 36.49 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.465 1.103 . . . . 0.0 110.303 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.436 ' HB2' ' CA ' ' A' ' 52' ' ' GLY . 4.0 tp -123.63 143.49 50.2 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.485 1.116 . . . . 0.0 109.311 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 2.3 p -94.99 114.39 26.19 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.515 1.134 . . . . 0.0 109.968 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 5.4 m -123.51 172.83 10.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.477 1.111 . . . . 0.0 109.303 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.469 ' O ' ' CG2' ' A' ' 12' ' ' ILE . 58.9 tp -120.98 168.08 11.89 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.493 1.121 . . . . 0.0 109.292 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.49 ' O ' ' CB ' ' A' ' 29' ' ' ASP . 0.0 OUTLIER -82.85 140.12 33.09 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.553 1.158 . . . . 0.0 109.325 -179.998 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . 0.49 ' CB ' ' O ' ' A' ' 28' ' ' LYS . 1.9 m-20 81.65 3.94 1.37 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.505 1.128 . . . . 0.0 109.284 -179.951 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -91.87 165.0 13.47 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.472 1.107 . . . . 0.0 110.31 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 85.8 t -133.84 119.52 33.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.494 1.121 . . . . 0.0 109.315 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 2.5 mm? -109.36 178.14 4.53 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.488 1.117 . . . . 0.0 109.306 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 7.2 tt0 -107.99 132.24 53.73 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.447 1.092 . . . . 0.0 110.307 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.466 ' HA ' ' CD1' ' A' ' 44' ' ' LEU . 10.4 p -83.49 130.31 36.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.564 1.165 . . . . 0.0 109.309 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.465 HD12 ' CB ' ' A' ' 45' ' ' ARG . 6.5 mp -98.26 -51.82 3.87 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.463 1.102 . . . . 0.0 109.323 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -128.65 135.95 49.98 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.464 1.103 . . . . 0.0 110.323 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -132.34 174.55 10.12 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.472 1.107 . . . . 0.0 109.279 -179.946 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 100.0 -3.92 57.27 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.486 1.116 . . . . 0.0 111.022 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 4.1 mtp180 -122.0 162.36 21.27 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.416 0.715 . . . . 0.0 110.316 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -45.34 -72.51 0.06 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.47 1.106 . . . . 0.0 110.248 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' TRP . . . . . 0.412 ' CE3' ' C ' ' A' ' 54' ' ' VAL . 13.1 m95 -84.57 128.59 34.68 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.477 1.11 . . . . 0.0 108.032 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' TRP . . . . . 0.457 ' CE3' HD11 ' A' ' 59' ' ' LEU . 46.0 m0 -86.79 163.02 17.5 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.532 1.145 . . . . 0.0 108.037 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . 0.44 ' HB2' ' CE1' ' A' ' 53' ' ' TYR . 63.0 tttt -114.45 105.2 12.83 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.451 1.095 . . . . 0.0 109.323 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.531 ' N ' ' CD2' ' A' ' 44' ' ' LEU . 0.0 OUTLIER -106.71 167.03 10.14 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.556 1.16 . . . . 0.0 109.31 179.985 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . 0.465 ' CB ' HD12 ' A' ' 35' ' ' LEU . 24.3 ttm180 -137.13 127.45 26.44 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.544 1.152 . . . . 0.0 110.308 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 25.6 p -77.12 166.65 22.99 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.518 1.136 . . . . 0.0 109.966 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.39 -11.38 59.53 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.499 1.125 . . . . 0.0 110.311 179.943 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 23.1 t -84.32 8.12 17.11 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.511 1.132 . . . . 0.0 109.968 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 76.11 12.1 84.34 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.557 1.161 . . . . 0.0 111.016 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 66.5 mm-40 -90.95 143.27 26.9 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.436 0.727 . . . . 0.0 110.289 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -133.03 127.75 34.77 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.48 1.112 . . . . 0.0 109.315 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . 0.436 ' CA ' ' HB2' ' A' ' 24' ' ' LEU . . . -150.31 157.9 27.42 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.503 1.127 . . . . 0.0 111.038 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' TYR . . . . . 0.44 ' CE1' ' HB2' ' A' ' 43' ' ' LYS . 47.7 m-85 -88.14 153.27 21.38 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.509 0.77 . . . . 0.0 111.034 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . 0.556 HG13 ' CD2' ' A' ' 16' ' ' PHE . 0.0 OUTLIER -153.47 165.11 18.45 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.51 1.131 . . . . 0.0 109.337 -179.991 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 144.26 30.16 Favored 'Trans proline' 0 C--N 1.359 1.117 0 O-C-N 124.465 1.771 . . . . 0.0 110.976 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 31.2 p -83.95 0.85 46.23 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.506 1.128 . . . . 0.0 108.273 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -74.14 -21.05 60.03 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.504 1.127 . . . . 0.0 109.329 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 31.2 pt -104.97 -19.09 6.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.128 . . . . 0.0 109.272 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . 0.457 HD11 ' CE3' ' A' ' 42' ' ' TRP . 91.6 mt -74.07 153.29 39.69 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.518 1.136 . . . . 0.0 109.274 -179.95 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -138.09 -144.91 4.76 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.539 1.15 . . . . 0.0 110.973 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 26.1 tt0 -119.93 142.75 48.44 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.558 0.799 . . . . 0.0 110.283 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -121.88 150.48 41.89 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.487 1.117 . . . . 0.0 109.3 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -157.19 132.36 8.99 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.509 1.131 . . . . 0.0 110.006 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -97.28 157.83 21.01 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.451 1.094 . . . . 0.0 111.039 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 60.51 5.49 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.522 1.801 . . . . 0.0 110.967 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 3.5 m -83.86 111.53 19.31 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.459 1.099 . . . . 0.0 109.993 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 19.1 t -77.71 109.2 11.5 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.487 1.117 . . . . 0.0 109.997 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.927 0 O-C-N 124.471 1.107 . . . . 0.0 111.018 179.985 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.008 0 N-CA-C 111.029 -0.828 . . . . 0.0 111.029 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 58.34 169.89 0.05 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.468 0.746 . . . . 0.0 109.995 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 69.75 -65.75 0.3 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.477 1.111 . . . . 0.0 110.013 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 120.94 -172.78 15.26 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.532 1.145 . . . . 0.0 110.975 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -178.44 104.53 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.515 0.774 . . . . 0.0 109.981 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -128.45 92.91 3.52 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.508 1.13 . . . . 0.0 109.963 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -133.75 -152.7 6.84 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.498 1.124 . . . . 0.0 110.97 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 14.8 tttt -112.13 158.7 19.31 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.539 0.787 . . . . 0.0 109.318 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 94.5 m-85 -136.42 172.08 13.54 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.504 1.127 . . . . 0.0 110.982 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 7.1 p -128.54 154.09 38.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.509 1.13 . . . . 0.0 109.263 -179.929 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 12.1 tttt -113.49 123.99 51.33 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.519 1.137 . . . . 0.0 109.34 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.451 ' CD1' HG23 ' A' ' 26' ' ' VAL . 51.3 mm -71.09 119.46 17.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.442 1.089 . . . . 0.0 109.3 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 43.3 mt -87.18 -20.51 26.88 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.462 1.101 . . . . 0.0 109.33 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 68.3 m-85 -149.31 136.96 20.29 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.499 1.124 . . . . 0.0 110.96 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 10.3 p-10 -63.58 135.79 57.06 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.44 1.087 . . . . 0.0 109.323 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . 0.451 ' CD2' HG13 ' A' ' 54' ' ' VAL . 85.6 t80 -128.13 136.15 50.76 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.466 1.104 . . . . 0.0 111.021 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 76.8 m -104.92 97.26 7.15 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.521 1.138 . . . . 0.0 110.387 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -40.71 115.15 0.54 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.496 1.123 . . . . 0.0 109.289 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 15.8 mmt85 -67.72 -34.89 77.76 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.466 1.104 . . . . 0.0 110.287 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 48.6 m-80 -142.56 -175.57 4.52 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.433 1.083 . . . . 0.0 109.33 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . 0.412 ' C ' ' N ' ' A' ' 23' ' ' GLU . . . -62.87 -51.64 66.2 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.485 1.116 . . . . 0.0 109.305 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . 0.421 ' ND2' ' HG3' ' A' ' 23' ' ' GLU . 2.1 p-10 -45.37 -26.5 0.55 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.487 1.117 . . . . 0.0 109.301 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . 0.421 ' HG3' ' ND2' ' A' ' 22' ' ' ASN . 60.1 mt-10 -97.08 155.79 16.65 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.505 1.128 . . . . 0.0 110.29 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.414 ' HB2' ' CA ' ' A' ' 52' ' ' GLY . 5.1 tp -113.64 146.7 39.36 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.517 1.136 . . . . 0.0 109.317 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 12.9 p -101.86 121.8 42.79 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.486 1.116 . . . . 0.0 110.011 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.451 HG23 ' CD1' ' A' ' 12' ' ' ILE . 34.7 m -134.03 168.63 23.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.473 1.108 . . . . 0.0 109.283 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.443 ' O ' ' CG2' ' A' ' 12' ' ' ILE . 4.8 mt -118.48 178.76 4.34 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.485 1.116 . . . . 0.0 109.291 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -85.49 147.0 26.67 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.483 1.114 . . . . 0.0 109.329 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 13.1 t70 74.68 5.84 4.45 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.567 1.167 . . . . 0.0 109.305 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -89.31 161.4 16.38 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.457 1.098 . . . . 0.0 110.31 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 55.0 t -129.95 109.54 17.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.47 1.106 . . . . 0.0 109.3 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.421 ' N ' HD21 ' A' ' 32' ' ' LEU . 3.1 mm? -100.32 163.76 12.24 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.51 1.131 . . . . 0.0 109.303 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 4.6 tt0 -97.09 130.53 44.36 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.526 1.141 . . . . 0.0 110.295 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.462 ' HA ' ' CD1' ' A' ' 44' ' ' LEU . 11.7 p -82.14 132.21 31.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.444 1.09 . . . . 0.0 109.322 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.442 ' N ' HD12 ' A' ' 35' ' ' LEU . 7.3 mp -105.7 -52.47 2.81 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.454 1.096 . . . . 0.0 109.326 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 13.8 mm-40 -129.27 131.81 47.07 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.473 1.108 . . . . 0.0 110.298 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -132.25 172.86 11.89 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.482 1.114 . . . . 0.0 109.288 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 99.68 -10.11 60.69 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.505 1.128 . . . . 0.0 111.001 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -112.14 161.02 16.99 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.482 0.754 . . . . 0.0 110.289 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -40.62 -72.52 0.06 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.486 1.116 . . . . 0.0 110.277 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' TRP . . . . . 0.476 ' CE3' ' C ' ' A' ' 54' ' ' VAL . 16.6 m95 -88.72 133.79 34.12 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 0.0 107.976 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' TRP . . . . . 0.457 ' HB2' ' CD1' ' A' ' 59' ' ' LEU . 45.1 m0 -87.17 162.82 17.28 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.544 1.152 . . . . 0.0 108.01 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . 0.442 ' HB2' ' CE1' ' A' ' 53' ' ' TYR . 8.0 tttp -118.77 109.19 15.77 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.488 1.117 . . . . 0.0 109.26 -179.954 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.519 ' N ' ' CD2' ' A' ' 44' ' ' LEU . 0.0 OUTLIER -112.98 167.32 10.61 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.478 1.111 . . . . 0.0 109.307 179.96 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . 0.501 ' CG ' ' O ' ' A' ' 50' ' ' GLN . 16.8 ttp180 -130.74 126.89 37.58 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.464 1.102 . . . . 0.0 110.271 -179.914 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 63.9 p -68.16 159.63 30.67 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.488 1.118 . . . . 0.0 110.001 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 2.6 mmm-85 -61.05 -16.08 39.59 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.462 1.101 . . . . 0.0 110.317 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -77.55 -16.88 58.39 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.438 1.087 . . . . 0.0 109.951 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 108.98 -12.16 34.46 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.514 1.133 . . . . 0.0 110.968 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . 0.501 ' O ' ' CG ' ' A' ' 45' ' ' ARG . 0.2 OUTLIER -67.28 154.74 40.58 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.505 0.768 . . . . 0.0 110.309 -179.996 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -138.56 129.49 26.74 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.51 1.131 . . . . 0.0 109.303 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . 0.414 ' CA ' ' HB2' ' A' ' 24' ' ' LEU . . . -150.15 164.57 29.7 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.515 1.135 . . . . 0.0 110.978 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' TYR . . . . . 0.442 ' CE1' ' HB2' ' A' ' 43' ' ' LYS . 46.9 m-85 -94.1 152.6 18.65 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.472 0.748 . . . . 0.0 110.983 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . 0.506 ' CG2' ' CD2' ' A' ' 44' ' ' LEU . 0.0 OUTLIER -152.36 166.03 16.22 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.516 1.135 . . . . 0.0 109.274 -179.982 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 142.59 28.03 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.511 1.795 . . . . 0.0 110.979 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 31.9 p -81.54 0.14 39.45 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.471 1.107 . . . . 0.0 108.346 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 50.4 m-80 -71.7 -33.28 68.64 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.48 1.113 . . . . 0.0 109.293 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 11.1 pt -92.82 -22.14 5.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.552 1.158 . . . . 0.0 109.289 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . 0.457 ' CD1' ' HB2' ' A' ' 42' ' ' TRP . 82.2 mt -70.97 150.48 45.63 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.488 1.118 . . . . 0.0 109.292 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -140.9 -148.19 5.06 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.508 1.13 . . . . 0.0 110.998 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -119.62 131.52 55.49 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.484 0.756 . . . . 0.0 110.328 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -96.35 134.18 39.81 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.565 1.166 . . . . 0.0 109.304 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 3.3 t -121.62 99.64 6.57 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.481 1.113 . . . . 0.0 109.948 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 81.14 174.23 48.67 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.478 1.111 . . . . 0.0 111.034 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 136.83 20.81 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.532 1.806 . . . . 0.0 110.983 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 93.1 p -90.97 99.27 12.34 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.547 1.154 . . . . 0.0 109.998 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 57.1 p -71.98 -54.32 10.3 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.455 1.097 . . . . 0.0 110.034 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.984 0 O-C-N 124.503 1.127 . . . . 0.0 111.005 -179.995 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.018 0 N-CA-C 110.988 -0.845 . . . . 0.0 110.988 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -55.94 135.9 52.07 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.467 0.745 . . . . 0.0 110.033 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 19.0 m -76.38 134.91 39.52 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.461 1.1 . . . . 0.0 110.023 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -129.16 135.73 8.61 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.5 1.125 . . . . 0.0 110.982 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 32.0 t -168.89 -59.01 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.493 0.761 . . . . 0.0 110.0 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 87.2 p -45.63 155.55 0.16 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.44 1.088 . . . . 0.0 109.976 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -113.78 161.36 12.74 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.437 1.085 . . . . 0.0 111.015 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . 0.436 ' HG2' ' CG1' ' A' ' 34' ' ' VAL . 0.0 OUTLIER -89.16 161.15 16.63 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.49 0.759 . . . . 0.0 109.31 179.978 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 65.6 m-85 -130.72 167.94 18.0 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.445 1.091 . . . . 0.0 111.005 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . 0.41 ' CG2' ' HB3' ' A' ' 59' ' ' LEU . 4.1 p -131.09 133.21 62.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.514 1.134 . . . . 0.0 109.34 179.935 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -99.8 127.2 45.96 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.467 1.104 . . . . 0.0 109.279 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.491 ' CG2' ' O ' ' A' ' 14' ' ' TYR . 30.3 mm -71.23 115.58 11.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.465 1.103 . . . . 0.0 109.291 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 91.2 mt -81.25 -23.14 38.21 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.467 1.105 . . . . 0.0 109.294 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . 0.491 ' O ' ' CG2' ' A' ' 12' ' ' ILE . 95.5 m-85 -145.03 141.27 28.75 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.519 1.137 . . . . 0.0 111.003 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . 0.409 ' N ' ' HB2' ' A' ' 28' ' ' LYS . 2.1 p30 -67.11 119.2 11.64 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.506 1.129 . . . . 0.0 109.284 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . 0.467 ' CD2' HG12 ' A' ' 54' ' ' VAL . 61.1 t80 -116.06 146.4 42.23 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.482 1.114 . . . . 0.0 110.966 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 22.3 m -121.77 128.9 52.25 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.491 1.12 . . . . 0.0 110.352 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -67.1 112.87 4.65 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.549 1.156 . . . . 0.0 109.321 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 25.6 mmm180 -101.96 1.05 36.26 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.529 1.143 . . . . 0.0 110.315 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 7.8 m-80 -146.43 173.7 12.04 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.505 1.128 . . . . 0.0 109.3 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -70.56 -33.15 70.8 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.461 1.1 . . . . 0.0 109.364 179.935 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 70.6 m-20 -90.2 42.58 1.1 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.503 1.127 . . . . 0.0 109.269 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 34.0 mt-10 -143.67 156.58 44.59 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.468 1.105 . . . . 0.0 110.267 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.456 HD12 ' CA ' ' A' ' 51' ' ' ALA . 8.4 tp -122.3 140.85 52.16 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.521 1.138 . . . . 0.0 109.322 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 3.8 p -96.0 120.47 36.34 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.502 1.126 . . . . 0.0 110.024 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 26.9 m -141.84 164.4 18.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.549 1.156 . . . . 0.0 109.32 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.486 ' O ' ' CG2' ' A' ' 12' ' ' ILE . 12.5 mt -108.87 178.98 4.31 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.523 1.139 . . . . 0.0 109.263 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.523 ' O ' ' CB ' ' A' ' 29' ' ' ASP . 25.4 tttt -88.0 141.74 28.34 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.517 1.136 . . . . 0.0 109.295 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . 0.523 ' CB ' ' O ' ' A' ' 28' ' ' LYS . 2.9 m-20 84.77 -10.08 0.85 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.51 1.131 . . . . 0.0 109.309 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -70.71 167.47 18.65 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.446 1.092 . . . . 0.0 110.336 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 73.6 t -134.32 112.09 15.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.54 1.15 . . . . 0.0 109.292 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.481 ' CD1' ' HA ' ' A' ' 46' ' ' SER . 3.3 mm? -104.59 168.75 8.88 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.513 1.133 . . . . 0.0 109.274 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 8.5 tt0 -99.83 132.13 45.37 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.452 1.095 . . . . 0.0 110.279 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.439 ' HA ' ' CD1' ' A' ' 44' ' ' LEU . 14.4 p -89.51 132.49 34.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.464 1.102 . . . . 0.0 109.283 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -115.14 -48.42 2.82 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.499 1.124 . . . . 0.0 109.29 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -120.44 128.48 53.21 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.521 1.138 . . . . 0.0 110.295 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 2.3 p-10 -138.7 173.74 11.26 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.504 1.127 . . . . 0.0 109.303 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 99.37 -12.06 61.65 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.528 1.142 . . . . 0.0 110.999 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -110.23 164.4 12.69 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.537 0.786 . . . . 0.0 110.337 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 14.2 mm-40 -44.53 -62.47 1.18 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.469 1.106 . . . . 0.0 110.322 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' TRP . . . . . 0.416 ' CE3' ' C ' ' A' ' 54' ' ' VAL . 15.8 m95 -99.23 131.75 45.03 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.498 1.124 . . . . 0.0 107.974 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' TRP . . . . . 0.474 ' CE3' ' CD1' ' A' ' 59' ' ' LEU . 32.6 m0 -89.02 161.02 16.81 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.519 1.137 . . . . 0.0 107.992 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . 0.516 ' HD2' ' CZ ' ' A' ' 53' ' ' TYR . 17.4 tttt -112.69 99.64 8.09 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.504 1.127 . . . . 0.0 109.304 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.494 ' N ' ' CD2' ' A' ' 44' ' ' LEU . 0.1 OUTLIER -102.42 167.49 9.92 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.538 1.149 . . . . 0.0 109.284 -179.971 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 18.8 ttp180 -131.17 120.09 22.8 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.496 1.122 . . . . 0.0 110.3 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' SER . . . . . 0.481 ' HA ' ' CD1' ' A' ' 32' ' ' LEU . 1.2 t -67.92 136.37 53.88 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.486 1.116 . . . . 0.0 109.991 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -48.79 -21.38 0.62 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.497 1.123 . . . . 0.0 110.313 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' SER . . . . . 0.402 ' N ' ' C ' ' A' ' 46' ' ' SER . 0.6 OUTLIER -66.83 -25.15 66.29 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.494 1.121 . . . . 0.0 110.008 179.961 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 110.1 28.91 3.95 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.487 1.117 . . . . 0.0 110.987 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 6.3 mm100 -119.1 130.26 55.49 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.511 0.771 . . . . 0.0 110.346 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . 0.456 ' CA ' HD12 ' A' ' 24' ' ' LEU . . . -113.48 128.18 56.36 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.494 1.121 . . . . 0.0 109.269 -179.939 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -150.66 176.12 29.37 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.503 1.127 . . . . 0.0 111.017 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' TYR . . . . . 0.516 ' CZ ' ' HD2' ' A' ' 43' ' ' LYS . 49.9 m-85 -104.77 148.19 26.88 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.561 0.8 . . . . 0.0 111.005 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . 0.467 HG12 ' CD2' ' A' ' 16' ' ' PHE . 0.0 OUTLIER -151.46 165.91 16.34 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.489 1.118 . . . . 0.0 109.281 -179.978 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 143.32 28.94 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.462 1.77 . . . . 0.0 111.013 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 30.7 p -81.7 1.39 34.49 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.478 1.111 . . . . 0.0 108.305 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -74.29 -25.15 59.41 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.514 1.134 . . . . 0.0 109.296 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 25.9 pt -101.42 -19.52 5.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.469 1.106 . . . . 0.0 109.284 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . 0.474 ' CD1' ' CE3' ' A' ' 42' ' ' TRP . 96.4 mt -67.17 155.73 38.03 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.49 1.118 . . . . 0.0 109.322 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -157.0 144.48 10.75 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.483 1.114 . . . . 0.0 111.024 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 2.5 pt-20 -60.96 117.7 5.8 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.504 0.767 . . . . 0.0 110.276 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -90.15 123.53 34.06 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.532 1.145 . . . . 0.0 109.269 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 20.9 m -102.71 -51.98 3.18 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.532 1.145 . . . . 0.0 109.958 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 98.08 157.29 30.01 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.471 1.107 . . . . 0.0 110.984 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 94.77 0.96 Allowed 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.497 1.788 . . . . 0.0 110.992 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 24.7 t 50.28 81.93 0.06 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.493 1.121 . . . . 0.0 110.02 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 78.8 p -87.31 163.9 16.57 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.505 1.128 . . . . 0.0 110.016 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.012 0 O-C-N 124.5 1.125 . . . . 0.0 110.986 -179.97 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.009 0 N-CA-C 111.003 -0.839 . . . . 0.0 111.003 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 11.1 m 47.87 89.51 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.472 0.748 . . . . 0.0 109.987 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.7 t 59.82 166.07 0.06 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.528 1.143 . . . . 0.0 110.007 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -124.88 179.55 16.1 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.483 1.114 . . . . 0.0 110.993 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.4 m -69.61 -63.84 0.99 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.496 0.763 . . . . 0.0 109.995 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.5 t -173.82 168.21 4.31 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.534 1.146 . . . . 0.0 109.978 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 150.96 169.15 16.38 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.466 1.104 . . . . 0.0 110.953 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 11.2 mttt -114.35 166.11 12.01 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.477 0.751 . . . . 0.0 109.293 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 62.3 m-85 -142.42 175.45 9.77 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.516 1.135 . . . . 0.0 110.956 -179.945 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 9.6 p -134.68 144.03 36.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.505 1.128 . . . . 0.0 109.302 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.472 ' CE ' ' HA ' ' A' ' 29' ' ' ASP . 0.0 OUTLIER -109.28 104.85 14.06 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.497 1.123 . . . . 0.0 109.311 179.994 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 44.9 mm -48.43 124.1 1.91 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.486 1.116 . . . . 0.0 109.261 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.421 ' HB2' ' CD1' ' A' ' 14' ' ' TYR . 67.8 mt -89.55 -33.32 16.77 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.494 1.121 . . . . 0.0 109.287 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . 0.421 ' CD1' ' HB2' ' A' ' 13' ' ' LEU . 37.0 m-85 -133.3 136.43 45.47 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.469 1.106 . . . . 0.0 110.983 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -62.52 113.89 3.22 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.497 1.123 . . . . 0.0 109.332 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . 0.566 ' CE2' HG12 ' A' ' 54' ' ' VAL . 60.5 t80 -108.98 139.39 43.91 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.504 1.127 . . . . 0.0 111.017 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 4.0 m -116.9 121.34 41.18 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.558 1.162 . . . . 0.0 110.375 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -51.64 114.4 1.25 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.493 1.12 . . . . 0.0 109.304 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 22.5 mmt180 -98.79 -0.13 43.22 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.486 1.116 . . . . 0.0 110.315 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 2.4 m-80 -148.74 -176.0 5.16 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.552 1.158 . . . . 0.0 109.269 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -78.25 -35.75 47.8 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.505 1.128 . . . . 0.0 109.36 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 6.5 m120 -89.44 43.75 1.17 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.519 1.137 . . . . 0.0 109.265 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 28.8 mt-10 -143.58 147.37 34.3 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.484 1.115 . . . . 0.0 110.291 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.41 HD12 ' N ' ' A' ' 52' ' ' GLY . 3.5 tp -107.57 147.48 30.53 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.493 1.121 . . . . 0.0 109.342 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 3.0 p -104.06 115.95 31.35 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.501 1.125 . . . . 0.0 110.021 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 24.1 m -135.61 161.17 39.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.482 1.114 . . . . 0.0 109.307 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 1.6 mm? -106.91 179.03 4.38 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.521 1.138 . . . . 0.0 109.356 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.417 ' O ' ' CB ' ' A' ' 29' ' ' ASP . 9.1 tttp -85.34 146.71 26.88 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.5 1.125 . . . . 0.0 109.288 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . 0.472 ' HA ' ' CE ' ' A' ' 11' ' ' LYS . 11.0 t0 76.0 10.78 3.12 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.506 1.129 . . . . 0.0 109.307 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -92.51 158.11 16.19 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.521 1.138 . . . . 0.0 110.299 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 55.8 t -125.95 111.12 25.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.523 1.14 . . . . 0.0 109.34 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.41 HD22 ' N ' ' A' ' 32' ' ' LEU . 2.9 mm? -104.11 176.9 5.0 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.49 1.119 . . . . 0.0 109.318 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 17.9 tt0 -108.88 130.42 55.43 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.497 1.123 . . . . 0.0 110.27 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.457 ' HA ' ' CD1' ' A' ' 44' ' ' LEU . 14.7 p -83.49 129.28 37.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.508 1.13 . . . . 0.0 109.302 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.44 HD13 ' N ' ' A' ' 35' ' ' LEU . 7.1 mp -103.84 -55.85 2.31 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.549 1.156 . . . . 0.0 109.319 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 9.5 mm-40 -122.56 132.19 54.19 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.474 1.109 . . . . 0.0 110.289 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -131.5 172.56 12.07 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.474 1.109 . . . . 0.0 109.309 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 86.65 14.69 64.98 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.489 1.118 . . . . 0.0 111.032 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -127.06 158.26 37.46 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.484 0.755 . . . . 0.0 110.273 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 17.2 mt-30 -39.03 -60.7 0.84 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.55 1.156 . . . . 0.0 110.296 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' TRP . . . . . 0.567 ' CZ3' ' HD3' ' A' ' 55' ' ' PRO . 11.6 m95 -107.9 137.78 45.29 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.549 1.156 . . . . 0.0 107.995 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' TRP . . . . . 0.465 ' HB2' ' CD1' ' A' ' 59' ' ' LEU . 33.3 m0 -83.1 160.73 21.83 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 107.955 -1.128 . . . . 0.0 107.955 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . 0.571 ' HB2' ' CE1' ' A' ' 53' ' ' TYR . 4.8 tttt -122.96 107.79 12.22 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.513 1.133 . . . . 0.0 109.28 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.481 ' CD2' ' CG2' ' A' ' 54' ' ' VAL . 0.0 OUTLIER -108.28 167.17 10.21 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.487 1.117 . . . . 0.0 109.255 -179.979 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . 0.494 ' CG ' ' O ' ' A' ' 50' ' ' GLN . 19.4 ttm180 -138.66 116.95 11.9 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.528 1.143 . . . . 0.0 110.305 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 15.6 t -67.9 168.57 11.45 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.504 1.127 . . . . 0.0 109.998 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.64 -8.17 52.44 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.463 1.102 . . . . 0.0 110.281 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 2.5 p -85.0 7.68 20.47 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.442 1.089 . . . . 0.0 110.013 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 78.35 6.27 87.83 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.514 1.134 . . . . 0.0 111.004 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . 0.494 ' O ' ' CG ' ' A' ' 45' ' ' ARG . 0.2 OUTLIER -83.41 152.51 24.99 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.535 0.785 . . . . 0.0 110.283 -179.988 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -146.28 129.79 16.89 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.537 1.148 . . . . 0.0 109.251 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . 0.41 ' N ' HD12 ' A' ' 24' ' ' LEU . . . -150.23 174.74 29.56 Favored Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.5 1.125 . . . . 0.0 110.996 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' TYR . . . . . 0.571 ' CE1' ' HB2' ' A' ' 43' ' ' LYS . 38.4 m-85 -108.12 143.84 36.33 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.539 0.788 . . . . 0.0 110.991 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . 0.566 HG12 ' CE2' ' A' ' 16' ' ' PHE . 0.0 OUTLIER -146.35 163.97 27.12 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.49 1.119 . . . . 0.0 109.339 179.983 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . 0.567 ' HD3' ' CZ3' ' A' ' 41' ' ' TRP . 18.4 Cg_endo -74.99 143.25 28.89 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.502 1.791 . . . . 0.0 111.016 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 30.3 p -79.67 -2.31 42.21 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.463 1.102 . . . . 0.0 108.266 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 1.6 m-20 -68.18 -37.48 81.01 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.47 1.106 . . . . 0.0 109.298 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 7.7 pt -88.27 -24.08 6.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.452 1.095 . . . . 0.0 109.324 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . 0.465 ' CD1' ' HB2' ' A' ' 42' ' ' TRP . 70.1 mt -71.22 155.96 40.1 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.554 1.159 . . . . 0.0 109.281 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -153.45 143.24 9.96 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.494 1.122 . . . . 0.0 111.026 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -61.02 118.96 7.41 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.49 0.759 . . . . 0.0 110.323 -180.0 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -90.14 165.55 13.91 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.518 1.137 . . . . 0.0 109.333 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -100.19 168.42 9.82 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.483 1.115 . . . . 0.0 110.019 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -148.51 157.58 27.35 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.482 1.114 . . . . 0.0 111.021 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 56.09 4.12 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.503 1.791 . . . . 0.0 111.011 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -166.39 -62.78 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.529 1.143 . . . . 0.0 110.025 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 9.3 p 43.58 77.37 0.07 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.471 1.107 . . . . 0.0 109.991 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.963 0 O-C-N 124.482 1.114 . . . . 0.0 111.036 179.954 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.314 0 N-CA-C 109.305 -0.628 . . . . 0.0 109.305 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 82.7 m-85 -145.98 169.82 17.87 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.532 1.145 . . . . 0.0 110.968 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 10' ' ' VAL . . . . . 0.494 HG23 ' O ' ' A' ' 60' ' ' GLY . 7.0 p -131.14 137.6 55.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.512 1.132 . . . . 0.0 109.296 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -104.22 109.59 21.47 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.498 1.124 . . . . 0.0 109.304 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 50.8 mm -52.42 138.25 11.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.457 1.098 . . . . 0.0 109.249 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 87.3 mt -103.09 -36.96 7.95 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.469 1.106 . . . . 0.0 109.326 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 57.7 m-85 -127.12 135.61 50.97 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.465 1.103 . . . . 0.0 110.997 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 1.5 p-10 -63.74 121.23 13.47 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.494 1.121 . . . . 0.0 109.263 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' PHE . . . . . 0.409 ' CE2' HG12 ' A' ' 54' ' ' VAL . 69.0 t80 -114.29 140.46 48.58 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.52 1.138 . . . . 0.0 111.0 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 30.8 m -112.12 96.36 5.99 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.51 1.131 . . . . 0.0 110.426 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 0.687 ' HB2' ' C ' ' A' ' 24' ' ' LEU . . . . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.497 1.123 . . . . 0.0 109.295 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 29.3 mt-10 . . . . . 0 N--CA 1.452 -0.327 0 N-CA-C 110.306 -0.257 . . . . 0.0 110.306 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.687 ' C ' ' HB2' ' A' ' 18' ' ' ALA . 8.4 tp -109.43 138.26 46.05 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.54 1.15 . . . . 0.0 109.308 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 4.0 p -94.31 118.38 31.51 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.504 1.127 . . . . 0.0 109.99 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 34.5 m -128.86 175.16 10.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.497 1.123 . . . . 0.0 109.286 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 17.9 mt -125.93 178.89 5.47 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.441 1.088 . . . . 0.0 109.282 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.407 ' HG2' ' N ' ' A' ' 29' ' ' ASP . 1.4 tttt -82.69 141.49 32.4 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.529 1.143 . . . . 0.0 109.266 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 29' ' ' ASP . . . . . 0.407 ' N ' ' HG2' ' A' ' 28' ' ' LYS . 0.2 OUTLIER 73.21 26.3 2.13 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.548 1.155 . . . . 0.0 109.34 -179.993 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 8.7 mt-10 -105.23 158.48 16.57 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.471 1.107 . . . . 0.0 110.266 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 69.3 t -131.79 115.71 28.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.472 1.108 . . . . 0.0 109.306 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.591 HD22 ' N ' ' A' ' 32' ' ' LEU . 2.1 mm? -105.78 179.11 4.37 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.494 1.121 . . . . 0.0 109.32 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 4.8 tt0 -107.08 112.81 25.91 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.519 1.137 . . . . 0.0 110.312 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.464 ' HA ' HD13 ' A' ' 44' ' ' LEU . 9.9 p -71.98 131.84 34.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.528 1.142 . . . . 0.0 109.339 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.648 HD11 ' HB2' ' A' ' 45' ' ' ARG . 4.2 mt -115.62 -44.84 2.93 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.525 1.14 . . . . 0.0 109.318 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -121.5 123.91 43.17 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.448 1.093 . . . . 0.0 110.313 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -129.03 176.64 7.73 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.459 1.1 . . . . 0.0 109.292 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 68.99 19.17 73.45 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.537 1.148 . . . . 0.0 110.953 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -127.9 163.43 24.46 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.531 0.783 . . . . 0.0 110.287 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 3.8 mt-30 -38.82 -68.41 0.16 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.456 1.097 . . . . 0.0 110.299 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 41' ' ' TRP . . . . . 0.569 ' CZ3' ' HD3' ' A' ' 55' ' ' PRO . 11.3 m0 -111.73 137.83 49.11 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.537 1.148 . . . . 0.0 107.999 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 42' ' ' TRP . . . . . 0.84 ' CE3' HD13 ' A' ' 59' ' ' LEU . 46.6 m0 -83.38 157.72 22.41 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.478 1.111 . . . . 0.0 108.01 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 43' ' ' LYS . . . . . 0.569 ' HB2' ' CE1' ' A' ' 53' ' ' TYR . 9.5 tttp -116.07 99.88 7.56 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.504 1.128 . . . . 0.0 109.322 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.762 HD23 ' CG2' ' A' ' 54' ' ' VAL . 0.3 OUTLIER -95.74 167.04 11.52 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.485 1.116 . . . . 0.0 109.354 -179.988 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 45' ' ' ARG . . . . . 0.648 ' HB2' HD11 ' A' ' 35' ' ' LEU . 8.1 ttp180 -137.5 122.82 19.41 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.467 1.105 . . . . 0.0 110.321 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 46' ' ' SER . . . . . 0.457 ' HA ' HD12 ' A' ' 32' ' ' LEU . 9.7 t -73.32 168.91 18.22 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.546 1.154 . . . . 0.0 110.045 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 5.8 mmt85 -71.71 -16.87 62.24 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.494 1.121 . . . . 0.0 110.326 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 44.1 m -69.42 -23.53 63.71 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.488 1.118 . . . . 0.0 110.054 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 106.96 17.34 11.87 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.494 1.121 . . . . 0.0 110.943 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 50' ' ' GLN . . . . . 0.409 ' O ' ' HA ' ' A' ' 45' ' ' ARG . 1.7 mp0 -99.68 152.52 19.98 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.488 0.758 . . . . 0.0 110.249 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 51' ' ' ALA . . . . . 0.531 ' C ' HD13 ' A' ' 24' ' ' LEU . . . -140.2 131.26 26.28 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.484 1.115 . . . . 0.0 109.262 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 52' ' ' GLY . . . . . 0.681 ' N ' HD13 ' A' ' 24' ' ' LEU . . . -150.15 175.95 29.0 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.507 1.129 . . . . 0.0 111.011 179.937 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 53' ' ' TYR . . . . . 0.569 ' CE1' ' HB2' ' A' ' 43' ' ' LYS . 43.2 m-85 -105.22 143.08 33.89 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.496 0.762 . . . . 0.0 111.005 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.762 ' CG2' HD23 ' A' ' 44' ' ' LEU . 0.0 OUTLIER -144.57 164.06 30.42 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.503 1.127 . . . . 0.0 109.275 -179.976 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 55' ' ' PRO . . . . . 0.569 ' HD3' ' CZ3' ' A' ' 41' ' ' TRP . 18.3 Cg_endo -74.97 142.46 27.98 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.537 1.809 . . . . 0.0 110.993 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 56' ' ' CYS . . . . . 0.476 ' HA ' HD12 ' A' ' 59' ' ' LEU . 24.4 p -79.37 -4.45 51.05 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.505 1.128 . . . . 0.0 108.251 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 2.1 t30 -66.36 -38.28 87.23 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.539 1.15 . . . . 0.0 109.292 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 13.5 pt -87.5 -23.68 6.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.55 1.156 . . . . 0.0 109.363 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.84 HD13 ' CE3' ' A' ' 42' ' ' TRP . 84.4 mt -64.48 163.03 14.12 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.522 1.139 . . . . 0.0 109.282 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 60' ' ' GLY . . . . . 0.494 ' O ' HG23 ' A' ' 10' ' ' VAL . . . . . . . . 0 CA--C 1.53 1.006 0 O-C-N 124.439 1.087 . . . . 0.0 111.04 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.303 0 N-CA-C 109.322 -0.622 . . . . 0.0 109.322 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 48.4 m-85 -138.08 158.56 44.07 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.516 1.135 . . . . 0.0 111.005 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 10' ' ' VAL . . . . . 0.493 HG21 HD22 ' A' ' 59' ' ' LEU . 7.1 p -124.99 141.79 43.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.485 1.116 . . . . 0.0 109.314 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 9.3 tttt -107.43 121.76 45.26 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.527 1.142 . . . . 0.0 109.287 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.698 HD11 HD23 ' A' ' 32' ' ' LEU . 25.3 mm -66.83 120.67 14.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.502 1.126 . . . . 0.0 109.291 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 95.9 mt -84.19 -25.45 29.53 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.523 1.14 . . . . 0.0 109.298 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' TYR . . . . . 0.482 ' O ' ' CG2' ' A' ' 12' ' ' ILE . 74.1 m-85 -143.53 144.27 31.89 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.519 1.137 . . . . 0.0 111.034 179.943 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 15' ' ' ASP . . . . . 0.422 ' HB2' HD23 ' A' ' 27' ' ' LEU . 5.5 p30 -67.37 130.81 44.25 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.495 1.122 . . . . 0.0 109.281 -179.934 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 16' ' ' PHE . . . . . 0.522 ' CE2' HG12 ' A' ' 54' ' ' VAL . 76.4 t80 -127.2 143.34 51.27 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.51 1.131 . . . . 0.0 111.0 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.402 ' O ' ' C ' ' A' ' 18' ' ' ALA . 24.2 m -119.12 111.26 18.04 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.487 1.117 . . . . 0.0 110.39 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 0.402 ' C ' ' O ' ' A' ' 17' ' ' THR . . . . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.525 1.141 . . . . 0.0 109.325 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 23.3 mt-10 . . . . . 0 N--CA 1.453 -0.275 0 N-CA-C 110.336 -0.246 . . . . 0.0 110.336 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.484 HD23 HG13 ' A' ' 26' ' ' VAL . 2.0 tp -115.26 151.72 34.01 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.497 1.123 . . . . 0.0 109.298 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 4.9 p -108.63 118.04 35.74 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.554 1.159 . . . . 0.0 110.0 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.484 HG13 HD23 ' A' ' 24' ' ' LEU . 15.8 m -133.41 167.05 27.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.442 1.089 . . . . 0.0 109.3 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.422 HD23 ' HB2' ' A' ' 15' ' ' ASP . 27.4 mt -117.52 179.12 4.15 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.463 1.102 . . . . 0.0 109.267 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.438 ' O ' ' CB ' ' A' ' 29' ' ' ASP . 2.8 tttt -80.13 141.03 36.14 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.495 1.122 . . . . 0.0 109.293 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 29' ' ' ASP . . . . . 0.438 ' CB ' ' O ' ' A' ' 28' ' ' LYS . 12.0 t0 77.07 28.61 0.63 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.531 1.144 . . . . 0.0 109.339 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 14.2 mt-10 -109.65 162.19 14.66 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.523 1.139 . . . . 0.0 110.297 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.414 ' C ' HD22 ' A' ' 32' ' ' LEU . 69.8 t -134.02 125.81 49.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.531 1.144 . . . . 0.0 109.315 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.698 HD23 HD11 ' A' ' 12' ' ' ILE . 2.3 mm? -115.43 178.45 4.29 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.122 . . . . 0.0 109.339 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 33' ' ' GLU . . . . . 0.466 ' HG2' ' CD2' ' A' ' 35' ' ' LEU . 3.5 tt0 -109.47 102.62 11.47 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.482 1.114 . . . . 0.0 110.306 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 12.5 p -71.24 125.36 29.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.484 1.115 . . . . 0.0 109.278 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.466 ' CD2' ' HG2' ' A' ' 33' ' ' GLU . 0.3 OUTLIER -108.03 -42.95 4.53 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.488 1.117 . . . . 0.0 109.268 -179.977 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -118.41 127.2 53.45 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.517 1.136 . . . . 0.0 110.284 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 6.0 p-10 -137.85 174.8 10.19 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.486 1.116 . . . . 0.0 109.326 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 95.5 -12.17 67.97 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.482 1.114 . . . . 0.0 111.003 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -108.77 161.76 14.81 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.539 0.788 . . . . 0.0 110.293 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 7.6 tt0 -43.34 -65.88 0.44 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.487 1.117 . . . . 0.0 110.261 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 41' ' ' TRP . . . . . 0.555 ' CE3' ' C ' ' A' ' 54' ' ' VAL . 22.4 m95 -96.34 133.85 40.21 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.511 1.132 . . . . 0.0 108.034 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 42' ' ' TRP . . . . . 0.758 ' CE3' HD13 ' A' ' 59' ' ' LEU . 31.6 m0 -94.49 164.48 12.97 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.49 1.119 . . . . 0.0 107.999 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 43' ' ' LYS . . . . . 0.409 ' HB2' ' CE1' ' A' ' 53' ' ' TYR . 14.9 tttt -116.42 99.72 7.38 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.504 1.128 . . . . 0.0 109.345 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.758 HD23 ' CG2' ' A' ' 54' ' ' VAL . 0.4 OUTLIER -94.78 167.16 11.61 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.53 1.144 . . . . 0.0 109.307 -179.993 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 60.2 ttp85 -144.29 114.55 7.48 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.497 1.123 . . . . 0.0 110.275 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -72.38 160.48 32.27 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.535 1.147 . . . . 0.0 110.017 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.26 -18.3 25.62 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.497 1.123 . . . . 0.0 110.315 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 1.3 m -70.19 -6.94 37.96 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.535 1.147 . . . . 0.0 109.999 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 91.9 -16.74 58.71 Favored Glycine 0 CA--C 1.529 0.935 0 O-C-N 124.501 1.126 . . . . 0.0 110.974 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 1.6 mp0 -65.02 153.08 41.77 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.44 0.729 . . . . 0.0 110.318 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -145.65 129.31 17.12 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.546 1.154 . . . . 0.0 109.266 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 52' ' ' GLY . . . . . 0.413 ' CA ' ' HB2' ' A' ' 24' ' ' LEU . . . -150.24 165.95 29.96 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.47 1.106 . . . . 0.0 110.99 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 53' ' ' TYR . . . . . 0.409 ' CE1' ' HB2' ' A' ' 43' ' ' LYS . 47.9 m-85 -93.96 147.71 22.84 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.49 0.759 . . . . 0.0 111.009 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.758 ' CG2' HD23 ' A' ' 44' ' ' LEU . 0.0 OUTLIER -148.39 166.33 15.87 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.469 1.105 . . . . 0.0 109.298 179.978 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 143.21 28.87 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.501 1.79 . . . . 0.0 110.988 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 56' ' ' CYS . . . . . 0.478 ' HA ' HD12 ' A' ' 59' ' ' LEU . 14.4 p -79.36 -2.0 39.59 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.518 1.136 . . . . 0.0 108.34 179.953 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 4.2 m120 -70.02 -34.19 72.96 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.476 1.11 . . . . 0.0 109.335 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 16.8 pt -92.45 -19.3 6.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.505 1.128 . . . . 0.0 109.28 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.758 HD13 ' CE3' ' A' ' 42' ' ' TRP . 98.1 mt -71.4 154.29 41.66 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.528 1.143 . . . . 0.0 109.276 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.981 0 O-C-N 124.465 1.103 . . . . 0.0 111.033 -179.978 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.285 0 N-CA-C 109.292 -0.632 . . . . 0.0 109.292 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 9' ' ' TYR . . . . . 0.471 ' CE1' ' HG3' ' A' ' 33' ' ' GLU . 89.5 m-85 -146.41 167.4 23.7 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.473 1.108 . . . . 0.0 111.009 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 10' ' ' VAL . . . . . 0.678 HG21 ' HB3' ' A' ' 59' ' ' LEU . 9.4 p -134.76 139.02 48.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.53 1.144 . . . . 0.0 109.299 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 11' ' ' LYS . . . . . 0.457 ' CE ' ' HA ' ' A' ' 29' ' ' ASP . 5.5 tttt -99.38 122.68 42.85 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.477 1.111 . . . . 0.0 109.327 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 48.1 mm -67.86 123.14 20.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.531 1.145 . . . . 0.0 109.286 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 88.3 mt -88.21 -28.29 21.25 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.464 1.103 . . . . 0.0 109.311 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 74.3 m-85 -138.85 138.07 37.15 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.461 1.101 . . . . 0.0 110.986 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -63.42 121.18 13.17 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.54 1.15 . . . . 0.0 109.352 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 16' ' ' PHE . . . . . 0.627 ' CE2' HG12 ' A' ' 54' ' ' VAL . 56.8 t80 -121.08 141.42 50.8 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.499 1.125 . . . . 0.0 111.017 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.4 ' O ' ' C ' ' A' ' 18' ' ' ALA . 20.6 m -122.31 114.98 21.53 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.539 1.149 . . . . 0.0 110.366 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 0.4 ' C ' ' O ' ' A' ' 17' ' ' THR . . . . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.527 1.142 . . . . 0.0 109.288 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 15.9 mt-10 . . . . . 0 N--CA 1.452 -0.325 0 N-CA-C 110.334 -0.247 . . . . 0.0 110.334 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.541 HD13 ' N ' ' A' ' 52' ' ' GLY . 5.5 tp -111.29 138.93 47.14 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.439 1.087 . . . . 0.0 109.299 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 11.1 m -97.56 123.32 41.39 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.481 1.113 . . . . 0.0 110.015 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.513 HG11 ' HG ' ' A' ' 32' ' ' LEU . 27.5 m -132.85 172.24 16.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.507 1.129 . . . . 0.0 109.294 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 4.6 mt -119.87 179.09 4.36 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.493 1.121 . . . . 0.0 109.285 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.43 ' O ' ' CB ' ' A' ' 29' ' ' ASP . 13.3 tttm -82.67 141.81 32.18 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.464 1.102 . . . . 0.0 109.302 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 29' ' ' ASP . . . . . 0.457 ' HA ' ' CE ' ' A' ' 11' ' ' LYS . 2.2 m-20 77.0 9.21 2.8 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.505 1.128 . . . . 0.0 109.355 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 4.2 mt-10 -96.84 149.36 21.94 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.487 1.117 . . . . 0.0 110.31 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.489 ' C ' HD22 ' A' ' 32' ' ' LEU . 75.8 t -122.49 127.86 75.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.544 1.153 . . . . 0.0 109.27 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.518 HD22 ' N ' ' A' ' 32' ' ' LEU . 2.7 mm? -110.71 177.53 4.65 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.422 1.076 . . . . 0.0 109.321 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 33' ' ' GLU . . . . . 0.471 ' HG3' ' CE1' ' A' ' 9' ' ' TYR . 2.7 tt0 -102.9 114.8 29.38 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.465 1.103 . . . . 0.0 110.288 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 10.1 p -80.33 129.66 37.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.472 1.107 . . . . 0.0 109.289 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.483 HD11 ' HB2' ' A' ' 45' ' ' ARG . 0.2 OUTLIER -116.56 -44.91 2.83 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.538 1.149 . . . . 0.0 109.288 -179.999 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -119.58 124.93 47.58 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.478 1.111 . . . . 0.0 110.34 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 1.7 p-10 -136.62 177.08 8.13 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.53 1.144 . . . . 0.0 109.281 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 77.62 16.01 80.68 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.549 1.156 . . . . 0.0 111.001 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -128.0 166.06 19.09 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.488 0.758 . . . . 0.0 110.271 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -38.82 -67.77 0.19 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.518 1.136 . . . . 0.0 110.299 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 41' ' ' TRP . . . . . 0.533 ' CZ3' ' HD3' ' A' ' 55' ' ' PRO . 11.2 m0 -111.02 138.64 47.18 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.491 1.119 . . . . 0.0 107.999 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 42' ' ' TRP . . . . . 0.587 ' CE3' HD13 ' A' ' 59' ' ' LEU . 46.6 m0 -83.41 158.95 21.91 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.522 1.139 . . . . 0.0 107.97 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 43' ' ' LYS . . . . . 0.567 ' HB2' ' CE1' ' A' ' 53' ' ' TYR . 2.9 tttt -116.71 99.96 7.49 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.457 1.098 . . . . 0.0 109.321 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.776 HD23 ' CG2' ' A' ' 54' ' ' VAL . 0.2 OUTLIER -98.28 166.2 11.5 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.519 1.137 . . . . 0.0 109.257 -179.956 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 45' ' ' ARG . . . . . 0.483 ' HB2' HD11 ' A' ' 35' ' ' LEU . 24.5 ttp180 -134.32 126.63 30.11 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.552 1.158 . . . . 0.0 110.269 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 46' ' ' SER . . . . . 0.43 ' HA ' HD12 ' A' ' 32' ' ' LEU . 9.6 p -75.0 169.82 17.24 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.522 1.139 . . . . 0.0 110.001 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.89 -4.82 37.29 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.529 1.143 . . . . 0.0 110.306 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -92.91 15.64 14.41 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.528 1.142 . . . . 0.0 110.042 179.946 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 71.23 13.94 73.71 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.475 1.109 . . . . 0.0 110.997 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 50' ' ' GLN . . . . . 0.443 ' O ' ' CG ' ' A' ' 45' ' ' ARG . 84.8 mm-40 -91.02 151.6 20.98 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.488 0.757 . . . . 0.0 110.322 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 51' ' ' ALA . . . . . 0.447 ' C ' HD13 ' A' ' 24' ' ' LEU . . . -141.92 130.58 22.74 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.533 1.146 . . . . 0.0 109.308 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 52' ' ' GLY . . . . . 0.541 ' N ' HD13 ' A' ' 24' ' ' LEU . . . -150.04 168.1 30.07 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.506 1.129 . . . . 0.0 111.039 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 53' ' ' TYR . . . . . 0.567 ' CE1' ' HB2' ' A' ' 43' ' ' LYS . 46.5 m-85 -100.05 144.94 28.5 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.519 0.776 . . . . 0.0 111.045 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.776 ' CG2' HD23 ' A' ' 44' ' ' LEU . 0.0 OUTLIER -147.78 165.1 19.52 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.51 1.131 . . . . 0.0 109.303 -179.952 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 55' ' ' PRO . . . . . 0.533 ' HD3' ' CZ3' ' A' ' 41' ' ' TRP . 18.2 Cg_endo -74.96 139.65 24.65 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.512 1.796 . . . . 0.0 111.047 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 56' ' ' CYS . . . . . 0.675 ' HA ' HD12 ' A' ' 59' ' ' LEU . 31.2 p -77.02 -5.48 48.91 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.473 1.108 . . . . 0.0 108.318 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 2.6 m120 -64.19 -45.52 87.95 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.468 1.105 . . . . 0.0 109.289 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 10.3 pt -79.31 -26.17 12.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.54 1.15 . . . . 0.0 109.329 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.678 ' HB3' HG21 ' A' ' 10' ' ' VAL . 73.8 mt -67.94 156.02 38.17 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.473 1.108 . . . . 0.0 109.297 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 60' ' ' GLY . . . . . 0.583 ' O ' HG23 ' A' ' 10' ' ' VAL . . . . . . . . 0 CA--C 1.53 0.997 0 O-C-N 124.466 1.104 . . . . 0.0 111.007 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 1.2 tttt . . . . . 0 N--CA 1.452 -0.326 0 N-CA-C 109.33 -0.619 . . . . 0.0 109.33 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 9' ' ' TYR . . . . . 0.555 ' CE1' ' HG3' ' A' ' 33' ' ' GLU . 85.1 m-85 -137.49 161.64 35.84 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.526 1.142 . . . . 0.0 110.98 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 10' ' ' VAL . . . . . 0.469 HG21 HD22 ' A' ' 59' ' ' LEU . 9.8 p -129.52 138.91 53.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.526 1.141 . . . . 0.0 109.265 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 11' ' ' LYS . . . . . 0.46 ' HG3' ' CG2' ' A' ' 31' ' ' VAL . 0.5 OUTLIER -103.35 113.11 26.34 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.466 1.104 . . . . 0.0 109.3 179.96 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.408 ' CG2' ' O ' ' A' ' 14' ' ' TYR . 45.7 mm -58.42 121.14 5.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.508 1.13 . . . . 0.0 109.295 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 88.8 mt -84.83 -23.19 29.17 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.496 1.123 . . . . 0.0 109.297 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' TYR . . . . . 0.408 ' O ' ' CG2' ' A' ' 12' ' ' ILE . 81.2 m-85 -149.84 141.66 23.72 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.509 1.131 . . . . 0.0 110.998 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 15' ' ' ASP . . . . . 0.475 ' CB ' HD23 ' A' ' 27' ' ' LEU . 2.3 p30 -62.27 138.67 58.47 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.486 1.116 . . . . 0.0 109.288 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 16' ' ' PHE . . . . . 0.642 ' CE2' HG12 ' A' ' 54' ' ' VAL . 90.6 t80 -132.51 143.77 49.98 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.446 1.091 . . . . 0.0 111.038 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 18.8 m -113.63 111.16 21.39 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.466 1.104 . . . . 0.0 110.406 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 0.473 ' HB2' ' C ' ' A' ' 24' ' ' LEU . . . . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.464 1.102 . . . . 0.0 109.326 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 . . . . . 0 N--CA 1.453 -0.321 0 N-CA-C 110.305 -0.257 . . . . 0.0 110.305 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.497 HD13 ' N ' ' A' ' 52' ' ' GLY . 4.9 tp -115.87 140.63 49.04 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.499 1.124 . . . . 0.0 109.282 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -98.8 124.02 43.42 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.545 1.153 . . . . 0.0 110.041 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.615 HG11 ' HG ' ' A' ' 32' ' ' LEU . 15.8 m -137.53 171.88 15.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.523 1.139 . . . . 0.0 109.309 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.475 HD23 ' CB ' ' A' ' 15' ' ' ASP . 6.3 mt -120.88 179.18 4.44 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.516 1.135 . . . . 0.0 109.319 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.466 ' O ' ' CB ' ' A' ' 29' ' ' ASP . 7.4 tttt -82.49 144.13 30.64 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.561 1.163 . . . . 0.0 109.261 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 29' ' ' ASP . . . . . 0.466 ' CB ' ' O ' ' A' ' 28' ' ' LYS . 2.5 m-20 79.0 3.79 2.39 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.538 1.149 . . . . 0.0 109.298 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -93.9 153.13 18.4 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.466 1.104 . . . . 0.0 110.309 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.46 ' CG2' ' HG3' ' A' ' 11' ' ' LYS . 56.5 t -126.01 128.43 71.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.548 1.155 . . . . 0.0 109.285 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.615 ' HG ' HG11 ' A' ' 26' ' ' VAL . 2.9 mm? -112.53 175.93 5.23 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.504 1.127 . . . . 0.0 109.289 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 33' ' ' GLU . . . . . 0.555 ' HG3' ' CE1' ' A' ' 9' ' ' TYR . 2.8 tt0 -103.17 110.76 22.83 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.516 1.135 . . . . 0.0 110.317 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.703 ' HA ' HD13 ' A' ' 44' ' ' LEU . 6.5 p -75.96 131.2 35.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.534 1.146 . . . . 0.0 109.299 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.64 HD11 ' HB2' ' A' ' 45' ' ' ARG . 1.6 mt -113.86 -43.32 3.28 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.498 1.124 . . . . 0.0 109.302 -179.949 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -123.93 128.5 49.52 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.464 1.103 . . . . 0.0 110.293 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 1.6 p-10 -137.61 172.09 13.48 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.519 1.137 . . . . 0.0 109.309 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 91.39 11.67 60.68 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.504 1.128 . . . . 0.0 111.04 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 39' ' ' ARG . . . . . 0.401 ' O ' ' C ' ' A' ' 40' ' ' GLN . 22.4 ttp85 -127.93 163.78 23.73 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.486 0.756 . . . . 0.0 110.289 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 40' ' ' GLN . . . . . 0.401 ' C ' ' O ' ' A' ' 39' ' ' ARG . 4.2 mt-30 -38.85 -62.11 0.66 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.535 1.147 . . . . 0.0 110.282 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 41' ' ' TRP . . . . . 0.557 ' CZ3' ' HD3' ' A' ' 55' ' ' PRO . 11.2 m0 -112.71 135.54 53.33 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.525 1.141 . . . . 0.0 107.973 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 42' ' ' TRP . . . . . 0.657 ' CE3' HD13 ' A' ' 59' ' ' LEU . 36.1 m0 -84.99 162.85 19.21 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 108.002 -1.11 . . . . 0.0 108.002 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 43' ' ' LYS . . . . . 0.402 ' HB2' ' CE1' ' A' ' 53' ' ' TYR . 24.0 tttt -113.93 100.04 8.12 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.539 1.149 . . . . 0.0 109.304 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.752 ' N ' HD22 ' A' ' 44' ' ' LEU . 0.5 OUTLIER -96.68 166.82 11.48 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.537 1.148 . . . . 0.0 109.305 -179.983 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 45' ' ' ARG . . . . . 0.64 ' HB2' HD11 ' A' ' 35' ' ' LEU . 14.9 ttp180 -135.02 130.88 36.39 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.505 1.128 . . . . 0.0 110.291 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 55.4 p -75.02 169.73 17.42 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.498 1.124 . . . . 0.0 110.021 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.44 -5.84 39.45 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.501 1.126 . . . . 0.0 110.318 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 3.9 m -91.04 -2.59 57.63 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.507 1.129 . . . . 0.0 109.993 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 95.16 -7.76 69.55 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.486 1.116 . . . . 0.0 111.0 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 50' ' ' GLN . . . . . 0.499 ' O ' ' CG ' ' A' ' 45' ' ' ARG . 0.6 OUTLIER -69.38 154.15 42.47 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.539 0.788 . . . . 0.0 110.338 179.989 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -143.83 129.96 19.67 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.455 1.097 . . . . 0.0 109.36 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 52' ' ' GLY . . . . . 0.497 ' N ' HD13 ' A' ' 24' ' ' LEU . . . -150.0 161.3 28.84 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.483 1.115 . . . . 0.0 110.982 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 53' ' ' TYR . . . . . 0.402 ' CE1' ' HB2' ' A' ' 43' ' ' LYS . 54.4 m-85 -89.23 152.11 21.77 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.511 0.771 . . . . 0.0 111.026 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.732 ' CG2' HD23 ' A' ' 44' ' ' LEU . 0.0 OUTLIER -151.38 162.39 26.9 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.523 1.139 . . . . 0.0 109.295 -179.983 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 55' ' ' PRO . . . . . 0.557 ' HD3' ' CZ3' ' A' ' 41' ' ' TRP . 18.2 Cg_endo -75.05 143.88 29.41 Favored 'Trans proline' 0 C--N 1.361 1.202 0 O-C-N 124.49 1.784 . . . . 0.0 110.992 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 56' ' ' CYS . . . . . 0.419 ' HA ' HD12 ' A' ' 59' ' ' LEU . 26.3 p -81.95 1.2 36.47 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.5 1.125 . . . . 0.0 108.301 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 27.3 t-20 -71.77 -21.65 61.7 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.467 1.104 . . . . 0.0 109.278 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 8.0 pt -108.09 -15.54 9.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.441 1.088 . . . . 0.0 109.321 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.657 HD13 ' CE3' ' A' ' 42' ' ' TRP . 94.6 mt -71.22 154.44 41.67 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.516 1.135 . . . . 0.0 109.314 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.026 0 O-C-N 124.514 1.134 . . . . 0.0 111.009 -179.997 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.287 0 N-CA-C 109.282 -0.636 . . . . 0.0 109.282 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 81.2 m-85 -144.31 171.69 13.97 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.494 1.121 . . . . 0.0 111.003 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 10' ' ' VAL . . . . . 0.5 HG21 ' HB3' ' A' ' 59' ' ' LEU . 4.7 p -131.45 134.98 60.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.521 1.138 . . . . 0.0 109.29 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -98.82 125.98 44.35 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.504 1.128 . . . . 0.0 109.296 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.478 HG21 ' O ' ' A' ' 27' ' ' LEU . 47.2 mm -71.72 118.54 16.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.503 1.127 . . . . 0.0 109.349 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 72.0 mt -83.2 -21.6 33.41 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.424 1.078 . . . . 0.0 109.316 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' TYR . . . . . 0.444 ' O ' ' CG2' ' A' ' 12' ' ' ILE . 84.0 m-85 -149.44 140.13 22.64 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.442 1.089 . . . . 0.0 110.977 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 2.5 p-10 -66.0 135.49 54.76 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.508 1.13 . . . . 0.0 109.299 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' PHE . . . . . 0.616 ' CD2' HG12 ' A' ' 54' ' ' VAL . 62.3 t80 -126.71 145.42 50.6 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.509 1.13 . . . . 0.0 111.02 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 18.7 m -113.87 99.92 8.04 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.491 1.119 . . . . 0.0 110.376 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 0.561 ' HB2' ' C ' ' A' ' 24' ' ' LEU . . . . . . . . 0 C--N 1.326 -0.448 0 O-C-N 124.448 1.092 . . . . 0.0 109.307 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 63.7 mt-10 . . . . . 0 N--CA 1.453 -0.288 0 N-CA-C 110.312 -0.255 . . . . 0.0 110.312 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.561 ' C ' ' HB2' ' A' ' 18' ' ' ALA . 4.6 tp -116.47 139.84 50.01 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.497 1.123 . . . . 0.0 109.275 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -96.33 122.2 38.95 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.538 1.149 . . . . 0.0 110.033 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.518 HG11 ' HG ' ' A' ' 32' ' ' LEU . 16.9 m -133.04 171.76 17.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 O-C-N 124.526 1.141 . . . . 0.0 109.304 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.478 ' O ' HG21 ' A' ' 12' ' ' ILE . 12.5 mt -118.11 179.07 4.2 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.539 1.149 . . . . 0.0 109.295 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.497 ' O ' ' CB ' ' A' ' 29' ' ' ASP . 0.4 OUTLIER -82.79 140.41 33.0 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.493 1.12 . . . . 0.0 109.309 179.971 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 29' ' ' ASP . . . . . 0.497 ' CB ' ' O ' ' A' ' 28' ' ' LYS . 2.1 t70 81.87 -3.67 1.54 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.504 1.127 . . . . 0.0 109.272 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 7.2 mt-10 -82.59 149.79 27.25 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.5 1.125 . . . . 0.0 110.3 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 89.1 t -123.17 125.56 72.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.5 1.125 . . . . 0.0 109.32 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.518 ' HG ' HG11 ' A' ' 26' ' ' VAL . 3.0 mm? -109.93 177.73 4.63 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.46 1.1 . . . . 0.0 109.289 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 33' ' ' GLU . . . . . 0.421 ' HG2' ' CD2' ' A' ' 35' ' ' LEU . 5.3 tt0 -104.89 121.68 44.21 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.462 1.101 . . . . 0.0 110.339 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.676 ' HA ' HD13 ' A' ' 44' ' ' LEU . 10.0 p -78.85 132.45 32.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.511 1.132 . . . . 0.0 109.266 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.795 HD11 ' HB2' ' A' ' 45' ' ' ARG . 0.3 OUTLIER -119.86 -42.41 2.61 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.533 1.146 . . . . 0.0 109.305 179.994 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -129.1 124.04 33.76 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.52 1.137 . . . . 0.0 110.285 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -134.7 174.99 9.96 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.51 1.131 . . . . 0.0 109.28 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 89.12 9.98 66.81 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.51 1.131 . . . . 0.0 110.992 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 39' ' ' ARG . . . . . 0.401 ' O ' ' C ' ' A' ' 40' ' ' GLN . 0.0 OUTLIER -126.65 165.03 19.98 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.504 0.767 . . . . 0.0 110.264 -179.962 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 40' ' ' GLN . . . . . 0.401 ' C ' ' O ' ' A' ' 39' ' ' ARG . 0.1 OUTLIER -38.93 -68.85 0.14 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.443 1.089 . . . . 0.0 110.229 179.99 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 41' ' ' TRP . . . . . 0.452 ' CZ3' ' HD3' ' A' ' 55' ' ' PRO . 10.8 m0 -105.61 134.89 47.98 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 108.0 -1.111 . . . . 0.0 108.0 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 42' ' ' TRP . . . . . 0.702 ' CE3' HD13 ' A' ' 59' ' ' LEU . 34.0 m0 -84.06 157.21 21.87 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 107.994 -1.113 . . . . 0.0 107.994 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 43' ' ' LYS . . . . . 0.503 ' HB2' ' CE1' ' A' ' 53' ' ' TYR . 9.8 tttp -110.53 99.81 8.73 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.531 1.144 . . . . 0.0 109.315 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.745 ' N ' HD22 ' A' ' 44' ' ' LEU . 0.6 OUTLIER -97.19 167.02 11.29 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.495 1.122 . . . . 0.0 109.302 -179.998 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 45' ' ' ARG . . . . . 0.795 ' HB2' HD11 ' A' ' 35' ' ' LEU . 10.2 ttp180 -132.23 132.01 42.67 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.531 1.145 . . . . 0.0 110.336 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 46' ' ' SER . . . . . 0.509 ' HA ' HD12 ' A' ' 32' ' ' LEU . 84.5 p -83.73 167.05 17.52 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.477 1.11 . . . . 0.0 109.986 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 7.5 mmm180 -69.15 -8.52 46.26 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.47 1.106 . . . . 0.0 110.289 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 1.7 t -85.76 8.36 20.17 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.534 1.146 . . . . 0.0 109.997 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 74.77 13.54 82.19 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.503 1.127 . . . . 0.0 110.922 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 45.5 mm-40 -95.75 148.27 22.74 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.456 0.739 . . . . 0.0 110.334 179.938 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -134.77 129.67 34.97 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.485 1.116 . . . . 0.0 109.339 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 52' ' ' GLY . . . . . 0.47 ' CA ' ' HB2' ' A' ' 24' ' ' LEU . . . -150.12 161.03 28.78 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.456 1.097 . . . . 0.0 111.008 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 53' ' ' TYR . . . . . 0.503 ' CE1' ' HB2' ' A' ' 43' ' ' LYS . 49.4 m-85 -86.57 150.28 24.35 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.469 0.747 . . . . 0.0 110.986 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.648 ' CG2' HD23 ' A' ' 44' ' ' LEU . 0.0 OUTLIER -152.1 163.5 23.37 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.527 1.142 . . . . 0.0 109.298 -179.968 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 55' ' ' PRO . . . . . 0.452 ' HD3' ' CZ3' ' A' ' 41' ' ' TRP . 18.3 Cg_endo -74.97 138.41 23.08 Favored 'Trans proline' 0 C--N 1.359 1.106 0 O-C-N 124.493 1.786 . . . . 0.0 110.99 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 56' ' ' CYS . . . . . 0.579 ' HA ' HD12 ' A' ' 59' ' ' LEU . 31.9 p -78.39 -2.63 39.25 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.469 1.105 . . . . 0.0 108.307 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -68.35 -39.79 81.73 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.538 1.148 . . . . 0.0 109.329 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 17.5 pt -85.04 -20.52 8.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.531 1.145 . . . . 0.0 109.331 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.702 HD13 ' CE3' ' A' ' 42' ' ' TRP . 84.1 mt -64.46 164.91 10.69 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.464 1.103 . . . . 0.0 109.329 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 60' ' ' GLY . . . . . 0.451 ' H ' HG22 ' A' ' 10' ' ' VAL . . . . . . . . 0 CA--C 1.53 0.991 0 O-C-N 124.485 1.116 . . . . 0.0 111.019 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 8' ' ' LYS . . . . . 0.412 ' O ' HG12 ' A' ' 34' ' ' VAL . 0.7 OUTLIER . . . . . 0 N--CA 1.453 -0.295 0 N-CA-C 109.32 -0.622 . . . . 0.0 109.32 . . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 9' ' ' TYR . . . . . 0.506 ' CE2' ' HG3' ' A' ' 33' ' ' GLU . 56.8 m-85 -138.98 176.45 8.68 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.471 1.107 . . . . 0.0 110.973 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 10' ' ' VAL . . . . . 0.677 HG21 ' HB3' ' A' ' 59' ' ' LEU . 8.8 p -136.15 142.54 38.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.501 1.126 . . . . 0.0 109.286 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 13.3 tttt -100.61 125.17 46.98 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.472 1.107 . . . . 0.0 109.25 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.516 HD12 HG21 ' A' ' 26' ' ' VAL . 14.5 mm -72.89 128.48 35.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.468 1.105 . . . . 0.0 109.276 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 54.7 mt -91.78 -28.95 17.04 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.496 1.123 . . . . 0.0 109.301 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' TYR . . . . . 0.457 ' O ' ' CG2' ' A' ' 12' ' ' ILE . 97.0 m-85 -133.28 142.59 48.58 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.545 1.153 . . . . 0.0 110.993 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -72.83 115.0 11.6 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.476 1.11 . . . . 0.0 109.281 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 16' ' ' PHE . . . . . 0.558 ' CE2' HG12 ' A' ' 54' ' ' VAL . 62.0 t80 -112.2 148.33 34.31 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.475 1.109 . . . . 0.0 111.014 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.4 ' O ' ' C ' ' A' ' 18' ' ' ALA . 16.4 m -123.95 115.25 20.94 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.478 1.111 . . . . 0.0 110.415 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 0.4 ' C ' ' O ' ' A' ' 17' ' ' THR . . . . . . . . 0 C--N 1.325 -0.467 0 O-C-N 124.527 1.142 . . . . 0.0 109.301 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 19.9 mt-10 . . . . . 0 N--CA 1.453 -0.289 0 N-CA-C 110.289 -0.263 . . . . 0.0 110.289 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.615 HD13 ' N ' ' A' ' 52' ' ' GLY . 5.0 tp -117.59 142.59 47.03 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.54 1.15 . . . . 0.0 109.326 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 1.1 m -96.97 118.96 34.54 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.473 1.108 . . . . 0.0 110.031 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.516 HG21 HD12 ' A' ' 12' ' ' ILE . 23.2 m -133.93 147.95 30.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.522 1.139 . . . . 0.0 109.328 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 5.0 mp -94.83 178.87 5.43 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.467 1.104 . . . . 0.0 109.225 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.438 ' O ' ' CB ' ' A' ' 29' ' ' ASP . 0.3 OUTLIER -82.22 137.88 34.79 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.518 1.136 . . . . 0.0 109.275 -179.989 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 29' ' ' ASP . . . . . 0.438 ' CB ' ' O ' ' A' ' 28' ' ' LYS . 5.7 t0 77.13 24.54 0.84 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.509 1.131 . . . . 0.0 109.33 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 11.0 mt-10 -106.6 152.15 24.11 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.515 1.134 . . . . 0.0 110.345 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.433 ' C ' HD22 ' A' ' 32' ' ' LEU . 91.0 t -123.15 125.37 71.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.511 1.132 . . . . 0.0 109.269 -179.942 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.51 HD22 ' N ' ' A' ' 32' ' ' LEU . 2.8 mm? -112.26 175.82 5.28 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.481 1.113 . . . . 0.0 109.292 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 33' ' ' GLU . . . . . 0.506 ' HG3' ' CE2' ' A' ' 9' ' ' TYR . 3.0 tt0 -100.52 111.93 24.23 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.508 1.13 . . . . 0.0 110.272 -179.938 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.412 HG12 ' O ' ' A' ' 8' ' ' LYS . 13.1 p -73.36 130.44 35.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.491 1.119 . . . . 0.0 109.296 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.722 HD11 ' HB2' ' A' ' 45' ' ' ARG . 5.7 mt -112.78 -50.93 2.86 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.49 1.118 . . . . 0.0 109.288 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -115.34 124.7 51.94 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.508 1.13 . . . . 0.0 110.294 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 1.9 p-10 -129.99 176.23 8.23 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.478 1.111 . . . . 0.0 109.287 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 72.46 17.29 77.69 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.528 1.143 . . . . 0.0 111.023 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -127.27 164.5 21.6 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.509 0.77 . . . . 0.0 110.277 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 27.3 mt-30 -39.76 -68.72 0.16 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.482 1.114 . . . . 0.0 110.309 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 41' ' ' TRP . . . . . 0.572 ' CZ3' ' HD3' ' A' ' 55' ' ' PRO . 11.6 m0 -109.81 137.87 46.99 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 0.0 108.046 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 42' ' ' TRP . . . . . 0.62 ' CE3' HD13 ' A' ' 59' ' ' LEU . 45.9 m0 -82.84 156.0 23.86 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.523 1.14 . . . . 0.0 107.976 -179.934 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 43' ' ' LYS . . . . . 0.563 ' HB2' ' CE1' ' A' ' 53' ' ' TYR . 70.4 tttt -113.24 99.91 8.17 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.481 1.113 . . . . 0.0 109.286 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.795 HD23 ' CG2' ' A' ' 54' ' ' VAL . 0.4 OUTLIER -95.16 167.01 11.63 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.475 1.11 . . . . 0.0 109.261 -179.987 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 45' ' ' ARG . . . . . 0.722 ' HB2' HD11 ' A' ' 35' ' ' LEU . 10.7 ttp180 -136.06 120.25 17.8 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.521 1.138 . . . . 0.0 110.265 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 6.8 p -69.32 153.22 43.95 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.516 1.135 . . . . 0.0 109.959 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -54.4 -22.52 12.67 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.541 1.151 . . . . 0.0 110.308 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -69.84 -12.05 61.33 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.478 1.111 . . . . 0.0 109.997 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 102.58 -15.21 56.09 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.563 1.164 . . . . 0.0 111.04 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 2.0 mm-40 -63.64 155.35 30.08 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.52 0.776 . . . . 0.0 110.312 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 51' ' ' ALA . . . . . 0.407 ' C ' HD13 ' A' ' 24' ' ' LEU . . . -142.68 130.78 21.92 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.456 1.098 . . . . 0.0 109.292 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 52' ' ' GLY . . . . . 0.615 ' N ' HD13 ' A' ' 24' ' ' LEU . . . -150.06 164.53 29.65 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.458 1.099 . . . . 0.0 111.035 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 53' ' ' TYR . . . . . 0.563 ' CE1' ' HB2' ' A' ' 43' ' ' LYS . 54.0 m-85 -96.59 148.7 22.57 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.513 0.772 . . . . 0.0 110.998 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.795 ' CG2' HD23 ' A' ' 44' ' ' LEU . 0.0 OUTLIER -149.91 164.49 20.54 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.491 1.119 . . . . 0.0 109.255 -179.967 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 55' ' ' PRO . . . . . 0.572 ' HD3' ' CZ3' ' A' ' 41' ' ' TRP . 18.5 Cg_endo -74.97 142.32 27.82 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.513 1.796 . . . . 0.0 111.006 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 56' ' ' CYS . . . . . 0.62 ' HA ' HD12 ' A' ' 59' ' ' LEU . 31.9 p -78.06 -3.42 42.15 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.491 1.119 . . . . 0.0 108.284 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -66.52 -43.43 85.23 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.558 1.161 . . . . 0.0 109.266 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 8.7 pt -81.24 -26.36 10.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.47 1.106 . . . . 0.0 109.309 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.677 ' HB3' HG21 ' A' ' 10' ' ' VAL . 88.9 mt -65.92 159.43 25.63 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.464 1.103 . . . . 0.0 109.318 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 60' ' ' GLY . . . . . 0.538 ' O ' HG23 ' A' ' 10' ' ' VAL . . . . . . . . 0 CA--C 1.53 1.015 0 O-C-N 124.474 1.109 . . . . 0.0 111.017 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 8' ' ' LYS . . . . . 0.481 ' O ' HG12 ' A' ' 34' ' ' VAL . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.314 0 N-CA-C 109.352 -0.61 . . . . 0.0 109.352 . . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 9' ' ' TYR . . . . . 0.561 ' CE2' ' HG3' ' A' ' 33' ' ' GLU . 91.4 m-85 -135.95 162.47 32.75 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.495 1.122 . . . . 0.0 110.998 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 10' ' ' VAL . . . . . 0.491 HG21 ' HB3' ' A' ' 59' ' ' LEU . 8.8 p -121.18 137.37 55.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.473 1.108 . . . . 0.0 109.305 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -103.58 103.88 13.87 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.527 1.142 . . . . 0.0 109.287 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.422 HG21 ' O ' ' A' ' 27' ' ' LEU . 33.2 mm -46.61 149.37 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.551 1.157 . . . . 0.0 109.304 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 69.3 mt -113.38 -35.9 5.15 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.55 1.156 . . . . 0.0 109.267 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 85.0 m-85 -129.68 142.19 50.77 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.423 1.077 . . . . 0.0 111.034 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -72.08 109.42 5.86 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.558 1.161 . . . . 0.0 109.294 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 16' ' ' PHE . . . . . 0.488 ' CD2' HG12 ' A' ' 54' ' ' VAL . 46.4 t80 -103.27 147.93 26.46 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.474 1.109 . . . . 0.0 111.004 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.403 ' O ' ' C ' ' A' ' 18' ' ' ALA . 4.1 m -114.89 99.14 7.26 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.472 1.108 . . . . 0.0 110.393 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 0.696 ' HB2' ' C ' ' A' ' 24' ' ' LEU . . . . . . . . 0 C--N 1.325 -0.457 0 O-C-N 124.47 1.106 . . . . 0.0 109.306 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 65.9 mt-10 . . . . . 0 N--CA 1.453 -0.311 0 N-CA-C 110.3 -0.259 . . . . 0.0 110.3 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.696 ' C ' ' HB2' ' A' ' 18' ' ' ALA . 5.5 tp -125.34 142.58 51.42 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.547 1.155 . . . . 0.0 109.3 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 25' ' ' SER . . . . . 0.434 ' N ' ' HB2' ' A' ' 18' ' ' ALA . 0.4 OUTLIER -95.84 120.58 36.36 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.488 1.118 . . . . 0.0 110.031 179.989 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 11.2 m -133.66 146.65 31.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.523 1.139 . . . . 0.0 109.288 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.422 ' O ' HG21 ' A' ' 12' ' ' ILE . 5.8 mp -95.42 179.2 5.25 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.505 1.128 . . . . 0.0 109.308 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.484 ' O ' ' CB ' ' A' ' 29' ' ' ASP . 0.0 OUTLIER -83.05 136.23 34.56 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.52 1.138 . . . . 0.0 109.277 -179.991 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 29' ' ' ASP . . . . . 0.484 ' CB ' ' O ' ' A' ' 28' ' ' LYS . 1.4 t70 80.83 21.69 0.4 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.461 1.1 . . . . 0.0 109.277 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 4.6 mt-10 -97.92 159.66 14.79 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.486 1.116 . . . . 0.0 110.303 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 69.2 t -131.31 117.94 38.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.544 1.152 . . . . 0.0 109.267 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.433 HD12 ' HA ' ' A' ' 46' ' ' SER . 3.2 mm? -108.46 172.47 6.82 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.504 1.127 . . . . 0.0 109.307 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 33' ' ' GLU . . . . . 0.561 ' HG3' ' CE2' ' A' ' 9' ' ' TYR . 3.1 tt0 -101.16 109.07 20.9 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.491 1.119 . . . . 0.0 110.331 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.481 HG12 ' O ' ' A' ' 8' ' ' LYS . 9.8 p -70.69 133.09 32.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.499 1.124 . . . . 0.0 109.317 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.731 HD11 ' HB2' ' A' ' 45' ' ' ARG . 1.7 mt -119.18 -46.61 2.51 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.511 1.132 . . . . 0.0 109.334 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -123.27 123.98 41.96 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.505 1.128 . . . . 0.0 110.254 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 2.2 p-10 -133.39 176.45 8.51 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.497 1.123 . . . . 0.0 109.275 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 82.21 14.81 75.95 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.489 1.118 . . . . 0.0 111.0 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 6.2 mtt85 -127.73 165.52 19.91 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.489 0.758 . . . . 0.0 110.309 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 62.2 mt-30 -39.35 -63.8 0.52 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.522 1.139 . . . . 0.0 110.327 179.936 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 41' ' ' TRP . . . . . 0.578 ' CZ3' ' HD3' ' A' ' 55' ' ' PRO . 11.6 m0 -113.05 138.14 50.35 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.465 1.103 . . . . 0.0 108.026 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 42' ' ' TRP . . . . . 0.443 ' CE3' HD13 ' A' ' 59' ' ' LEU . 42.1 m0 -84.49 156.19 21.82 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.495 1.122 . . . . 0.0 107.993 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 43' ' ' LYS . . . . . 0.568 ' HB2' ' CE1' ' A' ' 53' ' ' TYR . 5.8 tttt -112.46 99.91 8.35 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.51 1.131 . . . . 0.0 109.287 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.803 HD23 ' CG2' ' A' ' 54' ' ' VAL . 0.2 OUTLIER -98.87 164.95 12.0 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.509 1.131 . . . . 0.0 109.27 179.992 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 45' ' ' ARG . . . . . 0.731 ' HB2' HD11 ' A' ' 35' ' ' LEU . 38.2 ttm180 -132.68 123.9 27.2 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.481 1.113 . . . . 0.0 110.294 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 46' ' ' SER . . . . . 0.433 ' HA ' HD12 ' A' ' 32' ' ' LEU . 0.9 OUTLIER -74.46 166.33 23.7 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.52 1.138 . . . . 0.0 110.022 179.975 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.19 -8.83 53.08 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.513 1.133 . . . . 0.0 110.33 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 3.8 t -85.93 11.41 11.48 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.508 1.13 . . . . 0.0 110.036 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 73.06 13.19 79.44 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.479 1.112 . . . . 0.0 111.02 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 10.5 mm100 -94.32 146.41 24.05 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.49 0.759 . . . . 0.0 110.29 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -134.82 129.06 33.92 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.488 1.118 . . . . 0.0 109.295 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 52' ' ' GLY . . . . . 0.447 ' N ' HD13 ' A' ' 24' ' ' LEU . . . -150.16 164.21 29.63 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.492 1.12 . . . . 0.0 111.0 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 53' ' ' TYR . . . . . 0.568 ' CE1' ' HB2' ' A' ' 43' ' ' LYS . 50.7 m-85 -93.78 152.48 18.9 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.511 0.771 . . . . 0.0 111.024 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.803 ' CG2' HD23 ' A' ' 44' ' ' LEU . 0.0 OUTLIER -151.89 163.01 25.0 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.516 1.135 . . . . 0.0 109.321 179.996 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 55' ' ' PRO . . . . . 0.578 ' HD3' ' CZ3' ' A' ' 41' ' ' TRP . 18.2 Cg_endo -75.04 145.64 31.54 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.425 1.75 . . . . 0.0 110.935 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 17.3 p -82.57 -1.13 49.82 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.504 1.128 . . . . 0.0 108.335 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -70.39 -24.1 62.89 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.495 1.122 . . . . 0.0 109.266 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 8.0 pt -104.4 -20.88 5.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.484 1.115 . . . . 0.0 109.314 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.491 ' HB3' HG21 ' A' ' 10' ' ' VAL . 73.2 mt -74.43 159.91 31.68 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.461 1.1 . . . . 0.0 109.28 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.022 0 O-C-N 124.467 1.104 . . . . 0.0 110.988 179.957 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 8' ' ' LYS . . . . . 0.439 ' O ' HG12 ' A' ' 34' ' ' VAL . 2.2 mmtp . . . . . 0 N--CA 1.453 -0.31 0 N-CA-C 109.282 -0.636 . . . . 0.0 109.282 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 67.6 m-85 -133.02 175.97 8.9 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.46 1.1 . . . . 0.0 110.96 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 10' ' ' VAL . . . . . 0.551 HG21 ' HB3' ' A' ' 59' ' ' LEU . 4.1 p -139.28 132.98 38.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.555 1.159 . . . . 0.0 109.277 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 10.4 tttt -97.1 116.39 29.23 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.47 1.107 . . . . 0.0 109.291 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.448 ' CG2' ' O ' ' A' ' 14' ' ' TYR . 39.1 mm -63.34 128.1 24.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.495 1.122 . . . . 0.0 109.31 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 86.5 mt -91.33 -29.24 17.24 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.544 1.152 . . . . 0.0 109.306 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' TYR . . . . . 0.448 ' O ' ' CG2' ' A' ' 12' ' ' ILE . 82.1 m-85 -137.43 144.76 42.52 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.438 1.086 . . . . 0.0 110.969 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -71.54 123.1 21.71 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.431 1.082 . . . . 0.0 109.317 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 16' ' ' PHE . . . . . 0.683 ' CD2' HG12 ' A' ' 54' ' ' VAL . 67.3 t80 -118.47 137.57 53.09 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.416 1.073 . . . . 0.0 111.032 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 57.9 m -104.69 103.85 13.56 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.527 1.142 . . . . 0.0 110.397 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 0.641 ' HB2' ' C ' ' A' ' 24' ' ' LEU . . . . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.569 1.168 . . . . 0.0 109.318 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 53.5 mt-10 . . . . . 0 N--CA 1.452 -0.328 0 N-CA-C 110.295 -0.261 . . . . 0.0 110.295 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.641 ' C ' ' HB2' ' A' ' 18' ' ' ALA . 5.4 tp -108.87 137.66 46.45 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.5 1.125 . . . . 0.0 109.35 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 8.4 p -92.12 120.58 32.87 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.495 1.122 . . . . 0.0 110.015 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.451 HG11 ' HG ' ' A' ' 32' ' ' LEU . 35.7 m -132.99 167.74 25.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.517 1.136 . . . . 0.0 109.327 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 17.8 mt -121.61 179.06 4.58 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.537 1.148 . . . . 0.0 109.303 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.46 ' O ' ' CB ' ' A' ' 29' ' ' ASP . 12.5 tttt -81.91 138.24 35.04 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.477 1.111 . . . . 0.0 109.306 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 29' ' ' ASP . . . . . 0.46 ' CB ' ' O ' ' A' ' 28' ' ' LYS . 3.7 m-20 78.86 23.76 0.57 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.527 1.142 . . . . 0.0 109.261 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 8.3 mt-10 -106.31 161.38 14.61 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.467 1.105 . . . . 0.0 110.309 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.428 ' C ' HD22 ' A' ' 32' ' ' LEU . 80.1 t -133.45 118.17 30.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.507 1.129 . . . . 0.0 109.308 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.552 HD22 ' N ' ' A' ' 32' ' ' LEU . 2.4 mm? -105.71 178.82 4.45 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.467 1.105 . . . . 0.0 109.301 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 33' ' ' GLU . . . . . 0.462 ' HG2' ' CD2' ' A' ' 35' ' ' LEU . 8.1 tt0 -107.49 120.25 41.66 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.539 1.149 . . . . 0.0 110.267 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.617 ' HA ' HD13 ' A' ' 44' ' ' LEU . 9.8 p -77.17 132.87 31.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.444 1.09 . . . . 0.0 109.277 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.917 HD11 ' HB2' ' A' ' 45' ' ' ARG . 3.5 mt -118.18 -46.85 2.59 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.499 1.124 . . . . 0.0 109.273 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -125.48 124.88 42.35 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.536 1.147 . . . . 0.0 110.315 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 1.7 p-10 -134.31 173.18 11.9 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.533 1.146 . . . . 0.0 109.274 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 96.93 -13.25 65.25 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.463 1.102 . . . . 0.0 111.038 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -107.8 165.87 11.12 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.575 0.809 . . . . 0.0 110.286 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -39.02 -80.74 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.498 1.124 . . . . 0.0 110.297 -179.935 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 41' ' ' TRP . . . . . 0.571 ' CZ3' ' HD3' ' A' ' 55' ' ' PRO . 11.4 m0 -89.99 138.54 31.42 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.491 1.119 . . . . 0.0 108.021 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 42' ' ' TRP . . . . . 0.682 ' CE3' HD13 ' A' ' 59' ' ' LEU . 25.5 m0 -91.51 156.7 17.5 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.493 1.121 . . . . 0.0 107.993 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 43' ' ' LYS . . . . . 0.509 ' HB2' ' CE1' ' A' ' 53' ' ' TYR . 25.9 tttt -110.3 99.87 8.84 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.492 1.12 . . . . 0.0 109.337 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.736 ' N ' HD22 ' A' ' 44' ' ' LEU . 0.6 OUTLIER -95.0 166.84 11.74 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.493 1.12 . . . . 0.0 109.283 -179.954 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 45' ' ' ARG . . . . . 0.917 ' HB2' HD11 ' A' ' 35' ' ' LEU . 21.9 ttp180 -133.23 132.64 41.73 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.489 1.118 . . . . 0.0 110.28 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 20.7 p -84.4 168.16 15.81 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.486 1.116 . . . . 0.0 110.009 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.55 -7.24 36.68 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.436 1.085 . . . . 0.0 110.291 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -86.8 8.48 22.6 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.444 1.09 . . . . 0.0 110.03 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 74.61 14.55 81.11 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.496 1.123 . . . . 0.0 111.006 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 50' ' ' GLN . . . . . 0.486 ' O ' ' CG ' ' A' ' 45' ' ' ARG . 0.7 OUTLIER -94.75 154.91 17.07 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.483 0.755 . . . . 0.0 110.298 179.989 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -141.05 131.1 24.63 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.445 1.09 . . . . 0.0 109.297 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 52' ' ' GLY . . . . . 0.497 ' N ' HD13 ' A' ' 24' ' ' LEU . . . -149.91 165.11 29.69 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.458 1.099 . . . . 0.0 111.026 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 53' ' ' TYR . . . . . 0.509 ' CE1' ' HB2' ' A' ' 43' ' ' LYS . 62.3 m-85 -94.52 149.37 21.31 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.469 0.746 . . . . 0.0 111.011 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.698 ' CG2' HD23 ' A' ' 44' ' ' LEU . 0.0 OUTLIER -150.44 163.31 24.65 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.462 1.101 . . . . 0.0 109.324 179.981 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 55' ' ' PRO . . . . . 0.571 ' HD3' ' CZ3' ' A' ' 41' ' ' TRP . 18.2 Cg_endo -75.02 143.53 29.1 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.522 1.801 . . . . 0.0 110.993 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 56' ' ' CYS . . . . . 0.424 ' HA ' HD12 ' A' ' 59' ' ' LEU . 25.9 p -83.37 3.34 32.16 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.531 1.144 . . . . 0.0 108.338 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -78.67 -24.5 45.07 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.518 1.136 . . . . 0.0 109.28 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 58' ' ' ILE . . . . . 0.413 ' CD1' ' HB2' ' A' ' 16' ' ' PHE . 32.0 pt -100.38 -19.92 5.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.434 1.084 . . . . 0.0 109.255 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.682 HD13 ' CE3' ' A' ' 42' ' ' TRP . 96.8 mt -66.85 172.14 4.67 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.531 1.145 . . . . 0.0 109.333 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 60' ' ' GLY . . . . . 0.443 ' H ' HG22 ' A' ' 10' ' ' VAL . . . . . . . . 0 CA--C 1.53 1.0 0 O-C-N 124.529 1.143 . . . . 0.0 111.016 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.294 0 N-CA-C 109.344 -0.613 . . . . 0.0 109.344 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 55.0 m-85 -139.83 171.14 14.65 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.52 1.137 . . . . 0.0 111.001 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 9.7 p -136.24 139.42 45.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.44 1.088 . . . . 0.0 109.346 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 11' ' ' LYS . . . . . 0.404 ' HA ' ' O ' ' A' ' 30' ' ' GLU . 3.0 tttt -110.1 111.22 22.44 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.51 1.131 . . . . 0.0 109.341 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.403 ' CG1' HD23 ' A' ' 32' ' ' LEU . 28.3 mm -52.54 145.14 2.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.462 1.101 . . . . 0.0 109.303 -179.951 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 71.1 mt -109.16 -31.64 7.51 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.511 1.132 . . . . 0.0 109.282 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 89.8 m-85 -132.23 143.79 50.18 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.502 1.126 . . . . 0.0 110.963 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 3.3 p30 -71.89 117.64 13.74 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.468 1.105 . . . . 0.0 109.286 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 76.6 t80 -116.99 155.71 28.71 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.509 1.131 . . . . 0.0 111.014 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 23.2 m -123.04 110.34 15.22 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.533 1.146 . . . . 0.0 110.453 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 0.645 ' HB2' ' C ' ' A' ' 24' ' ' LEU . . . . . . . . 0 C--N 1.324 -0.504 0 O-C-N 124.469 1.106 . . . . 0.0 109.266 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 29.8 mt-10 . . . . . 0 N--CA 1.453 -0.302 0 N-CA-C 110.303 -0.258 . . . . 0.0 110.303 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.645 ' C ' ' HB2' ' A' ' 18' ' ' ALA . 5.1 tp -105.52 138.51 41.59 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.53 1.144 . . . . 0.0 109.289 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 25' ' ' SER . . . . . 0.489 ' N ' ' HB2' ' A' ' 18' ' ' ALA . 3.1 p -92.57 116.71 29.24 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.532 1.145 . . . . 0.0 109.988 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 35.9 m -125.0 173.82 10.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.509 1.13 . . . . 0.0 109.306 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 12.7 mt -127.93 179.14 5.72 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.493 1.121 . . . . 0.0 109.343 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.44 ' HG2' ' N ' ' A' ' 29' ' ' ASP . 7.2 tttt -78.69 149.49 32.78 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.482 1.113 . . . . 0.0 109.296 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 29' ' ' ASP . . . . . 0.44 ' N ' ' HG2' ' A' ' 28' ' ' LYS . 1.1 m-20 60.23 39.52 19.06 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.506 1.129 . . . . 0.0 109.323 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 30' ' ' GLU . . . . . 0.404 ' O ' ' HA ' ' A' ' 11' ' ' LYS . 23.8 mt-10 -116.46 160.23 20.89 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.473 1.108 . . . . 0.0 110.291 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 89.7 t -130.13 120.49 49.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.497 1.123 . . . . 0.0 109.322 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.481 HD22 ' N ' ' A' ' 32' ' ' LEU . 3.0 mm? -110.75 174.64 5.77 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.457 1.098 . . . . 0.0 109.288 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 33' ' ' GLU . . . . . 0.451 ' HG2' ' CD2' ' A' ' 35' ' ' LEU . 8.1 tt0 -105.03 108.47 20.01 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.544 1.153 . . . . 0.0 110.317 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 13.3 p -72.86 128.26 35.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.52 1.137 . . . . 0.0 109.279 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.617 HD11 ' HB2' ' A' ' 45' ' ' ARG . 0.3 OUTLIER -110.83 -43.61 3.77 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.485 1.115 . . . . 0.0 109.29 179.97 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 4.4 mt-10 -129.47 128.66 43.35 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.508 1.13 . . . . 0.0 110.274 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 2.1 p-10 -137.72 171.99 13.62 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.5 1.125 . . . . 0.0 109.243 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 97.81 -4.58 61.39 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.491 1.12 . . . . 0.0 111.005 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -110.73 163.44 13.76 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.532 0.784 . . . . 0.0 110.312 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 4.0 pt20 -42.09 -53.17 4.05 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.521 1.138 . . . . 0.0 110.335 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 41' ' ' TRP . . . . . 0.509 ' CE3' ' C ' ' A' ' 54' ' ' VAL . 14.1 m95 -115.55 135.44 54.08 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.559 1.162 . . . . 0.0 107.973 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 42' ' ' TRP . . . . . 0.831 ' CE3' HD13 ' A' ' 59' ' ' LEU . 41.8 m0 -88.05 162.14 16.96 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.514 1.134 . . . . 0.0 108.008 179.949 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 43' ' ' LYS . . . . . 0.484 ' HB2' ' CE1' ' A' ' 53' ' ' TYR . 32.2 tttt -116.9 99.93 7.42 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.528 1.143 . . . . 0.0 109.278 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.785 HD23 ' CG2' ' A' ' 54' ' ' VAL . 0.1 OUTLIER -99.33 166.7 11.07 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.499 1.124 . . . . 0.0 109.274 179.992 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 45' ' ' ARG . . . . . 0.617 ' HB2' HD11 ' A' ' 35' ' ' LEU . 17.8 ttp180 -135.38 125.73 26.54 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.558 1.161 . . . . 0.0 110.285 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 36.6 p -76.22 167.48 21.78 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.503 1.127 . . . . 0.0 110.023 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.37 -9.09 51.87 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.539 1.15 . . . . 0.0 110.288 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -84.49 7.98 18.03 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.538 1.149 . . . . 0.0 110.044 179.929 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 75.06 12.46 83.39 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.462 1.102 . . . . 0.0 110.977 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 6.0 mt-30 -93.05 149.18 21.4 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.54 0.788 . . . . 0.0 110.29 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -135.35 130.28 34.73 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.49 1.119 . . . . 0.0 109.315 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 52' ' ' GLY . . . . . 0.455 ' CA ' ' HB2' ' A' ' 24' ' ' LEU . . . -150.31 163.87 29.61 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.493 1.121 . . . . 0.0 111.014 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 53' ' ' TYR . . . . . 0.484 ' CE1' ' HB2' ' A' ' 43' ' ' LYS . 49.2 m-85 -94.82 149.16 21.54 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.488 0.758 . . . . 0.0 110.964 -179.943 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.785 ' CG2' HD23 ' A' ' 44' ' ' LEU . 0.0 OUTLIER -150.49 164.62 19.81 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.519 1.137 . . . . 0.0 109.251 -179.988 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 55' ' ' PRO . . . . . 0.477 ' HD3' ' CZ3' ' A' ' 41' ' ' TRP . 18.0 Cg_endo -75.08 146.96 33.0 Favored 'Trans proline' 0 C--N 1.361 1.202 0 O-C-N 124.468 1.773 . . . . 0.0 110.982 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 20.8 p -85.25 -1.89 57.44 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.502 1.127 . . . . 0.0 108.282 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 1.6 m-20 -71.67 -22.0 61.73 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.486 1.116 . . . . 0.0 109.28 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 17.2 pt -104.22 -22.02 5.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.504 1.128 . . . . 0.0 109.285 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.831 HD13 ' CE3' ' A' ' 42' ' ' TRP . 87.9 mt -66.03 168.36 8.42 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.493 1.121 . . . . 0.0 109.318 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.985 0 O-C-N 124.501 1.126 . . . . 0.0 110.982 -179.968 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.452 -0.337 0 N-CA-C 109.277 -0.638 . . . . 0.0 109.277 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 99.1 m-85 -143.58 172.92 12.13 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.483 1.115 . . . . 0.0 110.961 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 8.1 p -132.17 142.96 41.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.452 1.095 . . . . 0.0 109.277 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -104.9 123.16 47.25 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.551 1.157 . . . . 0.0 109.242 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.688 HG21 HG23 ' A' ' 26' ' ' VAL . 13.5 mm -74.66 114.24 14.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.491 1.119 . . . . 0.0 109.268 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 40.4 mt -81.19 -28.64 34.85 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.481 1.113 . . . . 0.0 109.345 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' TYR . . . . . 0.606 ' O ' HG22 ' A' ' 12' ' ' ILE . 92.8 m-85 -131.82 143.24 50.05 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.514 1.134 . . . . 0.0 111.016 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -73.96 110.9 8.62 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.514 1.134 . . . . 0.0 109.287 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 16' ' ' PHE . . . . . 0.62 ' CE2' HG12 ' A' ' 54' ' ' VAL . 80.6 t80 -101.79 146.45 27.77 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.536 1.148 . . . . 0.0 110.974 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 54.2 m -121.04 117.38 27.09 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.471 1.107 . . . . 0.0 110.381 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.492 1.12 . . . . 0.0 109.286 -179.969 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 38.0 mt-10 . . . . . 0 N--CA 1.453 -0.294 0 N-CA-C 110.291 -0.263 . . . . 0.0 110.291 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.53 HD13 ' N ' ' A' ' 52' ' ' GLY . 6.3 tp -105.79 148.42 27.53 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.512 1.132 . . . . 0.0 109.315 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 14.1 p -102.1 123.04 45.27 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.505 1.128 . . . . 0.0 110.021 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.688 HG23 HG21 ' A' ' 12' ' ' ILE . 29.0 m -135.8 161.23 38.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.494 1.121 . . . . 0.0 109.307 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 2.1 mm? -109.04 178.67 4.39 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.478 1.112 . . . . 0.0 109.287 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.415 ' O ' ' CB ' ' A' ' 29' ' ' ASP . 1.2 tttt -83.45 138.87 33.27 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.49 1.119 . . . . 0.0 109.343 179.937 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 29' ' ' ASP . . . . . 0.415 ' CB ' ' O ' ' A' ' 28' ' ' LYS . 0.8 OUTLIER 77.02 21.82 1.09 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.521 1.138 . . . . 0.0 109.29 179.994 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 14.4 mt-10 -103.65 155.41 18.58 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.51 1.131 . . . . 0.0 110.25 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 68.9 t -126.03 111.46 26.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.461 1.101 . . . . 0.0 109.304 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.419 HD13 ' HA ' ' A' ' 32' ' ' LEU . 3.0 mm? -100.72 171.38 7.73 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.509 1.13 . . . . 0.0 109.286 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 3.0 tt0 -96.42 114.04 25.68 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.124 . . . . 0.0 110.295 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.41 ' HA ' ' CD1' ' A' ' 44' ' ' LEU . 12.5 p -74.5 133.35 31.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.48 1.112 . . . . 0.0 109.286 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.799 HD11 ' HB2' ' A' ' 45' ' ' ARG . 13.5 mt -115.69 -50.21 2.71 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.556 1.16 . . . . 0.0 109.313 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -117.62 125.45 50.78 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.525 1.141 . . . . 0.0 110.315 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 1.9 p-10 -132.87 174.73 10.02 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.501 1.126 . . . . 0.0 109.28 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 75.27 14.99 81.42 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.504 1.127 . . . . 0.0 110.971 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 39' ' ' ARG . . . . . 0.402 ' O ' ' C ' ' A' ' 40' ' ' GLN . 3.6 mtt180 -128.02 166.14 18.95 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.519 0.776 . . . . 0.0 110.301 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 40' ' ' GLN . . . . . 0.402 ' C ' ' O ' ' A' ' 39' ' ' ARG . 16.2 mt-30 -38.59 -69.66 0.12 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.501 1.126 . . . . 0.0 110.284 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 41' ' ' TRP . . . . . 0.586 ' CZ3' ' HD3' ' A' ' 55' ' ' PRO . 12.2 m0 -110.78 136.54 49.68 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 107.954 -1.128 . . . . 0.0 107.954 -179.95 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 42' ' ' TRP . . . . . 0.503 ' CE3' HD13 ' A' ' 59' ' ' LEU . 40.9 m0 -83.42 157.13 22.59 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.486 1.116 . . . . 0.0 107.99 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 43' ' ' LYS . . . . . 0.568 ' HB2' ' CE1' ' A' ' 53' ' ' TYR . 60.2 tttt -111.55 99.78 8.46 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.547 1.154 . . . . 0.0 109.283 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.831 HD23 ' CG2' ' A' ' 54' ' ' VAL . 0.4 OUTLIER -94.2 167.03 11.82 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.47 1.106 . . . . 0.0 109.27 179.984 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 45' ' ' ARG . . . . . 0.799 ' HB2' HD11 ' A' ' 35' ' ' LEU . 29.6 ttm-85 -145.71 133.16 20.75 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.484 1.115 . . . . 0.0 110.35 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 13.8 t -91.29 170.44 9.99 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.465 1.103 . . . . 0.0 110.016 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.54 -10.28 57.47 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.462 1.101 . . . . 0.0 110.329 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -79.97 1.91 25.61 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.502 1.126 . . . . 0.0 110.029 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 77.7 17.46 78.8 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.493 1.121 . . . . 0.0 111.011 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 50' ' ' GLN . . . . . 0.44 ' O ' ' CG ' ' A' ' 45' ' ' ARG . 35.8 mm-40 -94.95 145.97 24.56 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.501 0.766 . . . . 0.0 110.317 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 51' ' ' ALA . . . . . 0.429 ' CA ' HD13 ' A' ' 24' ' ' LEU . . . -140.52 129.01 22.71 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.505 1.128 . . . . 0.0 109.287 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 52' ' ' GLY . . . . . 0.53 ' N ' HD13 ' A' ' 24' ' ' LEU . . . -150.29 168.2 30.22 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.498 1.124 . . . . 0.0 111.019 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 53' ' ' TYR . . . . . 0.568 ' CE1' ' HB2' ' A' ' 43' ' ' LYS . 53.9 m-85 -102.13 139.05 38.27 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.463 0.743 . . . . 0.0 111.034 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.831 ' CG2' HD23 ' A' ' 44' ' ' LEU . 0.0 OUTLIER -137.58 164.86 38.4 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.464 1.103 . . . . 0.0 109.305 179.984 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 55' ' ' PRO . . . . . 0.586 ' HD3' ' CZ3' ' A' ' 41' ' ' TRP . 18.3 Cg_endo -75.0 147.58 34.1 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.479 1.779 . . . . 0.0 111.002 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 26.5 p -85.86 6.02 30.15 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.532 1.145 . . . . 0.0 108.278 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -77.87 -26.18 49.11 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.514 1.134 . . . . 0.0 109.312 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 58' ' ' ILE . . . . . 0.469 HD12 ' HB2' ' A' ' 16' ' ' PHE . 15.3 pt -102.54 -22.26 4.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.465 1.103 . . . . 0.0 109.325 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.503 HD13 ' CE3' ' A' ' 42' ' ' TRP . 78.3 mt -65.27 163.29 15.64 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.526 1.141 . . . . 0.0 109.327 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.976 0 O-C-N 124.504 1.127 . . . . 0.0 111.005 -179.972 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 3.9 ttpt . . . . . 0 N--CA 1.452 -0.328 0 N-CA-C 109.325 -0.62 . . . . 0.0 109.325 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 95.5 m-85 -145.9 168.25 21.28 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.453 1.096 . . . . 0.0 110.976 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 10' ' ' VAL . . . . . 0.535 HG23 ' O ' ' A' ' 60' ' ' GLY . 6.0 p -137.63 140.68 40.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.527 1.142 . . . . 0.0 109.35 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -99.47 123.82 44.07 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.469 1.106 . . . . 0.0 109.285 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.502 ' CG2' ' O ' ' A' ' 14' ' ' TYR . 46.6 mm -69.98 109.1 2.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.545 1.153 . . . . 0.0 109.309 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 67.5 mt -75.34 -24.27 57.33 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.521 1.138 . . . . 0.0 109.244 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 14' ' ' TYR . . . . . 0.502 ' O ' ' CG2' ' A' ' 12' ' ' ILE . 88.5 m-85 -143.45 138.75 29.51 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.524 1.14 . . . . 0.0 110.969 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 7.3 p30 -65.96 138.19 57.66 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.491 1.119 . . . . 0.0 109.264 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 16' ' ' PHE . . . . . 0.438 ' CD2' HG12 ' A' ' 54' ' ' VAL . 74.7 t80 -131.84 130.02 41.18 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.468 1.105 . . . . 0.0 110.996 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 54.7 m -100.63 104.11 15.42 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.51 1.131 . . . . 0.0 110.379 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 0.649 ' HB2' ' C ' ' A' ' 24' ' ' LEU . . . . . . . . 0 C--N 1.324 -0.512 0 O-C-N 124.539 1.149 . . . . 0.0 109.245 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 55.3 mt-10 . . . . . 0 N--CA 1.454 -0.266 0 N-CA-C 110.293 -0.262 . . . . 0.0 110.293 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.649 ' C ' ' HB2' ' A' ' 18' ' ' ALA . 4.5 tp -102.16 142.36 33.54 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.505 1.128 . . . . 0.0 109.286 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 2.4 p -97.75 114.61 26.65 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.513 1.133 . . . . 0.0 109.988 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.424 HG11 ' HG ' ' A' ' 32' ' ' LEU . 31.2 m -131.4 161.93 40.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.551 1.157 . . . . 0.0 109.264 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.481 ' O ' HG21 ' A' ' 12' ' ' ILE . 9.6 mt -108.18 179.05 4.32 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.454 1.096 . . . . 0.0 109.3 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.515 ' O ' ' CB ' ' A' ' 29' ' ' ASP . 27.5 ttmt -85.68 141.12 29.98 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.507 1.129 . . . . 0.0 109.333 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 29' ' ' ASP . . . . . 0.515 ' CB ' ' O ' ' A' ' 28' ' ' LYS . 3.8 m-20 83.48 -6.95 1.15 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.519 1.137 . . . . 0.0 109.307 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 30' ' ' GLU . . . . . 0.451 ' OE2' ' CB ' ' A' ' 27' ' ' LEU . 0.2 OUTLIER -69.06 167.31 16.25 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.504 1.127 . . . . 0.0 110.281 -179.97 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 55.4 t -134.88 113.14 15.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.519 1.137 . . . . 0.0 109.285 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.495 HD23 ' CG1' ' A' ' 12' ' ' ILE . 3.0 mm? -108.14 171.24 7.52 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.487 1.117 . . . . 0.0 109.285 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 4.7 tt0 -107.08 132.66 52.74 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.517 1.136 . . . . 0.0 110.302 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 8.6 p -91.31 130.9 39.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.497 1.123 . . . . 0.0 109.317 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.644 HD11 ' HB2' ' A' ' 45' ' ' ARG . 0.1 OUTLIER -116.17 -45.19 2.85 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.511 1.132 . . . . 0.0 109.278 -179.995 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 5.7 mt-10 -122.47 123.85 42.25 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.49 1.119 . . . . 0.0 110.299 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 1.1 p-10 -129.36 177.88 6.86 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.481 1.113 . . . . 0.0 109.303 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 83.21 15.66 71.37 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.44 1.088 . . . . 0.0 110.992 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -127.12 159.59 33.77 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.464 0.744 . . . . 0.0 110.28 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 31.0 mt-30 -40.93 -63.15 0.7 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.501 1.125 . . . . 0.0 110.312 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 9.8 m95 -106.51 133.18 51.59 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 107.982 -1.118 . . . . 0.0 107.982 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 42' ' ' TRP . . . . . 0.759 ' CE3' HD13 ' A' ' 59' ' ' LEU . 46.3 m0 -80.9 148.79 29.72 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.475 1.109 . . . . 0.0 108.013 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 23.7 tttt -104.61 99.74 9.41 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.534 1.146 . . . . 0.0 109.33 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.771 ' N ' HD22 ' A' ' 44' ' ' LEU . 0.4 OUTLIER -96.27 167.09 11.4 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.469 1.106 . . . . 0.0 109.33 179.989 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 45' ' ' ARG . . . . . 0.644 ' HB2' HD11 ' A' ' 35' ' ' LEU . 28.9 ttm180 -146.81 121.35 9.73 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.464 1.102 . . . . 0.0 110.258 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 5.8 t -75.23 169.64 17.63 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.531 1.145 . . . . 0.0 110.0 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.75 -12.49 61.52 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.482 1.114 . . . . 0.0 110.3 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 3.8 m -73.62 -23.55 59.91 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.51 1.132 . . . . 0.0 110.007 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 107.0 1.38 36.12 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.5 1.125 . . . . 0.0 111.034 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 50' ' ' GLN . . . . . 0.402 ' O ' ' HA ' ' A' ' 45' ' ' ARG . 12.8 mt-30 -81.15 145.09 31.2 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.517 0.775 . . . . 0.0 110.313 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 51' ' ' ALA . . . . . 0.425 ' CA ' HD13 ' A' ' 24' ' ' LEU . . . -138.08 130.12 28.65 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.54 1.15 . . . . 0.0 109.273 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 52' ' ' GLY . . . . . 0.526 ' N ' HD13 ' A' ' 24' ' ' LEU . . . -150.38 172.35 30.18 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.526 1.141 . . . . 0.0 110.989 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 35.3 m-85 -103.13 132.55 49.31 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.489 0.758 . . . . 0.0 111.002 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.755 ' CG2' HD23 ' A' ' 44' ' ' LEU . 0.0 OUTLIER -133.54 162.69 56.12 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.509 1.131 . . . . 0.0 109.329 179.967 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 144.07 29.92 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.558 1.82 . . . . 0.0 110.983 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 56' ' ' CYS . . . . . 0.543 ' HA ' HD12 ' A' ' 59' ' ' LEU . 44.6 t -82.59 -0.1 45.36 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.536 1.148 . . . . 0.0 108.329 179.946 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 9.0 m-20 -72.24 -17.51 61.9 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 0.0 109.284 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 18.5 pt -111.94 -12.83 11.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.508 1.13 . . . . 0.0 109.331 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.759 HD13 ' CE3' ' A' ' 42' ' ' TRP . 88.2 mt -73.85 151.47 40.49 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.478 1.111 . . . . 0.0 109.299 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 60' ' ' GLY . . . . . 0.535 ' O ' HG23 ' A' ' 10' ' ' VAL . . . . . . . . 0 CA--C 1.529 0.966 0 O-C-N 124.508 1.13 . . . . 0.0 110.981 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.452 -0.331 0 N-CA-C 109.32 -0.622 . . . . 0.0 109.32 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 47.8 m-85 -145.81 176.52 9.6 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.485 1.116 . . . . 0.0 110.993 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 10' ' ' VAL . . . . . 0.63 HG21 ' HB3' ' A' ' 59' ' ' LEU . 7.7 p -135.76 141.75 41.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.434 1.084 . . . . 0.0 109.315 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 11' ' ' LYS . . . . . 0.504 ' CE ' ' HA ' ' A' ' 29' ' ' ASP . 13.4 tptm -101.29 114.92 29.35 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.488 1.118 . . . . 0.0 109.291 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 9.5 mm -64.9 139.89 20.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.536 1.148 . . . . 0.0 109.277 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 53.4 mt -108.24 -20.93 12.98 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.538 1.148 . . . . 0.0 109.267 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 72.0 m-85 -140.42 137.92 34.35 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.469 1.106 . . . . 0.0 111.022 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -71.26 114.36 9.24 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.53 1.144 . . . . 0.0 109.326 -179.953 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 16' ' ' PHE . . . . . 0.6 ' CE2' HG12 ' A' ' 54' ' ' VAL . 74.4 t80 -105.72 145.48 31.04 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.537 1.148 . . . . 0.0 110.963 -179.945 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 47.8 m -118.13 99.19 6.72 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.491 1.12 . . . . 0.0 110.419 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.461 0 O-C-N 124.531 1.144 . . . . 0.0 109.289 -179.987 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 56.4 mt-10 . . . . . 0 N--CA 1.453 -0.296 0 N-CA-C 110.325 -0.25 . . . . 0.0 110.325 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.446 ' HB2' ' CA ' ' A' ' 52' ' ' GLY . 6.9 tp -117.25 143.78 45.53 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.494 1.121 . . . . 0.0 109.276 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 12.8 p -98.48 122.2 41.37 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.458 1.099 . . . . 0.0 110.006 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.548 HG11 ' HG ' ' A' ' 32' ' ' LEU . 29.4 m -133.87 148.53 30.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.444 1.09 . . . . 0.0 109.314 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 5.2 mp -93.13 179.07 5.54 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.478 1.111 . . . . 0.0 109.307 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.449 ' O ' ' CB ' ' A' ' 29' ' ' ASP . 0.0 OUTLIER -83.95 137.54 33.58 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.489 1.118 . . . . 0.0 109.29 179.989 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 29' ' ' ASP . . . . . 0.504 ' HA ' ' CE ' ' A' ' 11' ' ' LYS . 0.5 OUTLIER 77.86 18.13 1.25 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.488 1.117 . . . . 0.0 109.317 -179.973 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -97.19 163.44 12.91 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.531 1.144 . . . . 0.0 110.311 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.603 ' C ' HD22 ' A' ' 32' ' ' LEU . 73.3 t -132.77 126.56 54.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.475 1.109 . . . . 0.0 109.314 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.603 HD22 ' C ' ' A' ' 31' ' ' VAL . 2.4 mm? -115.67 178.49 4.29 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.494 1.121 . . . . 0.0 109.308 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -101.41 111.98 24.37 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.507 1.129 . . . . 0.0 110.302 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 7.5 p -76.01 126.53 36.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.514 1.134 . . . . 0.0 109.298 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.646 HD11 ' HB2' ' A' ' 45' ' ' ARG . 0.5 OUTLIER -113.42 -39.83 4.01 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.527 1.142 . . . . 0.0 109.278 -179.978 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 11.4 mm-40 -129.59 124.92 34.97 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.539 1.15 . . . . 0.0 110.334 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 4.7 p-10 -136.22 173.62 11.51 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.463 1.102 . . . . 0.0 109.271 -179.944 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 90.09 -11.29 71.29 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.5 1.125 . . . . 0.0 111.054 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 39' ' ' ARG . . . . . 0.412 ' O ' ' C ' ' A' ' 40' ' ' GLN . 0.1 OUTLIER -103.91 166.16 10.59 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.476 0.751 . . . . 0.0 110.255 -179.979 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 40' ' ' GLN . . . . . 0.412 ' C ' ' O ' ' A' ' 39' ' ' ARG . 0.0 OUTLIER -38.24 -72.55 0.06 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.507 1.13 . . . . 0.0 110.287 -179.993 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 41' ' ' TRP . . . . . 0.579 ' CZ3' ' HD3' ' A' ' 55' ' ' PRO . 11.7 m0 -102.92 136.83 42.01 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 107.995 -1.113 . . . . 0.0 107.995 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 42' ' ' TRP . . . . . 0.753 ' CE3' HD13 ' A' ' 59' ' ' LEU . 38.7 m0 -84.05 162.46 20.34 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.514 1.134 . . . . 0.0 108.065 179.943 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 43' ' ' LYS . . . . . 0.573 ' HB2' ' CE1' ' A' ' 53' ' ' TYR . 22.0 tttt -118.04 99.97 7.24 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.476 1.11 . . . . 0.0 109.275 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.765 HD23 ' CG2' ' A' ' 54' ' ' VAL . 0.2 OUTLIER -96.93 166.61 11.53 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.488 1.117 . . . . 0.0 109.299 179.994 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 45' ' ' ARG . . . . . 0.646 ' HB2' HD11 ' A' ' 35' ' ' LEU . 45.3 ttp85 -134.07 120.03 19.68 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.499 1.124 . . . . 0.0 110.352 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 46' ' ' SER . . . . . 0.55 ' HA ' HD12 ' A' ' 32' ' ' LEU . 4.2 p -67.88 164.19 20.3 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.491 1.119 . . . . 0.0 110.008 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.3 -16.44 63.56 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.481 1.113 . . . . 0.0 110.336 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 1.1 t -73.15 -20.84 60.83 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.489 1.118 . . . . 0.0 109.994 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 106.15 14.39 20.72 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.473 1.108 . . . . 0.0 110.996 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 12.0 mm100 -99.59 138.01 37.28 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.446 0.733 . . . . 0.0 110.316 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -122.54 130.33 52.91 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.525 1.141 . . . . 0.0 109.275 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 52' ' ' GLY . . . . . 0.446 ' CA ' ' HB2' ' A' ' 24' ' ' LEU . . . -150.12 163.12 29.4 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.524 1.14 . . . . 0.0 111.033 179.946 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 53' ' ' TYR . . . . . 0.573 ' CE1' ' HB2' ' A' ' 43' ' ' LYS . 56.8 m-85 -93.51 151.26 19.83 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.555 0.797 . . . . 0.0 111.025 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.765 ' CG2' HD23 ' A' ' 44' ' ' LEU . 0.0 OUTLIER -151.44 164.08 21.45 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.533 1.146 . . . . 0.0 109.25 -179.968 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 55' ' ' PRO . . . . . 0.579 ' HD3' ' CZ3' ' A' ' 41' ' ' TRP . 18.4 Cg_endo -74.99 146.95 33.32 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.463 1.77 . . . . 0.0 111.031 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 30.8 p -84.76 2.17 43.3 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.519 1.137 . . . . 0.0 108.288 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 51.6 t30 -73.79 -19.02 60.89 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.501 1.126 . . . . 0.0 109.306 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 10.3 pt -109.11 -17.22 8.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.49 1.119 . . . . 0.0 109.349 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.753 HD13 ' CE3' ' A' ' 42' ' ' TRP . 92.2 mt -72.03 156.27 39.41 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.525 1.14 . . . . 0.0 109.323 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 60' ' ' GLY . . . . . 0.493 ' O ' HG23 ' A' ' 10' ' ' VAL . . . . . . . . 0 CA--C 1.53 1.022 0 O-C-N 124.545 1.153 . . . . 0.0 110.986 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 8' ' ' LYS . . . . . 0.515 ' HD3' HG11 ' A' ' 34' ' ' VAL . 3.4 tttt . . . . . 0 N--CA 1.454 -0.266 0 N-CA-C 109.304 -0.628 . . . . 0.0 109.304 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 9' ' ' TYR . . . . . 0.506 ' CE1' ' HG2' ' A' ' 33' ' ' GLU . 72.3 m-85 -141.74 157.81 44.58 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.559 1.162 . . . . 0.0 111.017 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 10' ' ' VAL . . . . . 0.614 HG21 ' HB3' ' A' ' 59' ' ' LEU . 8.9 p -121.8 140.33 46.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.482 1.114 . . . . 0.0 109.256 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 11' ' ' LYS . . . . . 0.41 ' CE ' ' HA ' ' A' ' 29' ' ' ASP . 4.2 tttt -105.17 104.2 13.89 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.496 1.122 . . . . 0.0 109.31 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.447 HG21 ' O ' ' A' ' 27' ' ' LEU . 39.7 mm -44.36 143.99 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.52 1.137 . . . . 0.0 109.309 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 77.3 mt -108.89 -38.68 5.53 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.49 1.119 . . . . 0.0 109.306 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 82.2 m-85 -128.33 138.22 52.28 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.484 1.115 . . . . 0.0 111.013 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -62.32 108.46 1.1 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.495 1.122 . . . . 0.0 109.329 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 16' ' ' PHE . . . . . 0.648 ' CE2' HG12 ' A' ' 54' ' ' VAL . 63.7 t80 -108.69 136.32 48.47 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.47 1.106 . . . . 0.0 110.975 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 20.0 m -112.72 127.7 56.21 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.471 1.107 . . . . 0.0 110.413 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.515 0 O-C-N 124.527 1.142 . . . . 0.0 109.302 -179.996 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 50.7 mt-10 . . . . . 0 N--CA 1.453 -0.311 0 N-CA-C 110.288 -0.264 . . . . 0.0 110.288 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.548 HD13 ' N ' ' A' ' 52' ' ' GLY . 12.9 tp -109.87 151.01 27.57 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.479 1.112 . . . . 0.0 109.345 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 3.0 p -105.68 114.89 29.32 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.515 1.135 . . . . 0.0 109.993 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 34.5 m -128.8 176.6 7.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.466 1.104 . . . . 0.0 109.275 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.447 ' O ' HG21 ' A' ' 12' ' ' ILE . 9.7 mt -127.52 179.39 5.52 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.498 1.124 . . . . 0.0 109.29 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.422 ' HG2' ' N ' ' A' ' 29' ' ' ASP . 1.7 ttmt -82.02 143.12 31.78 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.524 1.14 . . . . 0.0 109.291 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 29' ' ' ASP . . . . . 0.422 ' N ' ' HG2' ' A' ' 28' ' ' LYS . 0.1 OUTLIER 71.0 27.39 3.37 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.535 1.147 . . . . 0.0 109.335 -179.968 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 10.8 mt-10 -107.75 161.94 14.44 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.502 1.126 . . . . 0.0 110.319 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 99.1 t -134.05 118.04 27.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.549 1.156 . . . . 0.0 109.269 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.481 HD12 ' HA ' ' A' ' 46' ' ' SER . 2.9 mm? -108.85 171.36 7.47 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.505 1.128 . . . . 0.0 109.326 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 33' ' ' GLU . . . . . 0.578 ' OE1' HD23 ' A' ' 35' ' ' LEU . 0.3 OUTLIER -93.3 114.24 26.64 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.48 1.112 . . . . 0.0 110.284 -179.986 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.515 HG11 ' HD3' ' A' ' 8' ' ' LYS . 14.4 p -82.76 118.94 31.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.497 1.123 . . . . 0.0 109.322 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.578 HD23 ' OE1' ' A' ' 33' ' ' GLU . 0.7 OUTLIER -104.65 -48.15 3.87 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.47 1.106 . . . . 0.0 109.334 179.954 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -110.37 135.2 51.46 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.517 1.136 . . . . 0.0 110.308 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 1.9 p-10 -146.07 176.44 9.72 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.456 1.098 . . . . 0.0 109.312 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 68.16 17.7 70.3 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.518 1.137 . . . . 0.0 110.991 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 39' ' ' ARG . . . . . 0.403 ' O ' ' C ' ' A' ' 40' ' ' GLN . 0.0 OUTLIER -128.02 166.04 19.16 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.478 0.752 . . . . 0.0 110.299 -179.946 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 40' ' ' GLN . . . . . 0.403 ' C ' ' O ' ' A' ' 39' ' ' ARG . 12.1 mt-30 -38.2 -74.99 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.509 1.131 . . . . 0.0 110.253 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 41' ' ' TRP . . . . . 0.524 ' CZ3' ' HD3' ' A' ' 55' ' ' PRO . 11.1 m95 -105.66 138.27 42.14 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.495 1.122 . . . . 0.0 107.998 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 42' ' ' TRP . . . . . 0.676 ' CE3' HD13 ' A' ' 59' ' ' LEU . 42.3 m0 -84.01 161.0 20.89 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 107.991 -1.114 . . . . 0.0 107.991 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 43' ' ' LYS . . . . . 0.571 ' HB2' ' CE1' ' A' ' 53' ' ' TYR . 12.3 tttp -119.73 99.69 6.8 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.513 1.133 . . . . 0.0 109.278 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.793 HD23 ' CG2' ' A' ' 54' ' ' VAL . 0.5 OUTLIER -93.9 166.9 11.95 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.544 1.153 . . . . 0.0 109.285 179.992 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 12.0 ttp85 -143.06 126.14 16.37 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.469 1.106 . . . . 0.0 110.263 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 46' ' ' SER . . . . . 0.481 ' HA ' HD12 ' A' ' 32' ' ' LEU . 0.2 OUTLIER -84.74 166.87 16.64 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.534 1.147 . . . . 0.0 109.999 179.993 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.9 -12.75 60.43 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.516 1.135 . . . . 0.0 110.248 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -74.89 -2.19 25.78 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.521 1.138 . . . . 0.0 110.041 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 85.4 -0.32 88.48 Favored Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.482 1.114 . . . . 0.0 110.992 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 1.4 mt-30 -88.71 148.9 23.75 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.53 0.782 . . . . 0.0 110.268 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 51' ' ' ALA . . . . . 0.438 ' C ' HD13 ' A' ' 24' ' ' LEU . . . -145.74 130.22 17.82 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.494 1.121 . . . . 0.0 109.331 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 52' ' ' GLY . . . . . 0.548 ' N ' HD13 ' A' ' 24' ' ' LEU . . . -141.92 170.56 24.84 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.49 1.119 . . . . 0.0 111.001 -179.946 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 53' ' ' TYR . . . . . 0.571 ' CE1' ' HB2' ' A' ' 43' ' ' LYS . 39.7 m-85 -96.07 145.67 25.28 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.502 0.766 . . . . 0.0 111.023 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.793 ' CG2' HD23 ' A' ' 44' ' ' LEU . 0.0 OUTLIER -149.73 164.75 19.59 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.505 1.128 . . . . 0.0 109.325 179.965 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 55' ' ' PRO . . . . . 0.524 ' HD3' ' CZ3' ' A' ' 41' ' ' TRP . 18.3 Cg_endo -75.03 143.71 29.26 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.479 1.779 . . . . 0.0 111.012 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 56' ' ' CYS . . . . . 0.518 ' HA ' HD12 ' A' ' 59' ' ' LEU . 30.5 p -80.15 -2.0 42.74 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.536 1.147 . . . . 0.0 108.315 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 2.0 t-20 -68.25 -33.67 74.81 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.499 1.124 . . . . 0.0 109.329 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 58' ' ' ILE . . . . . 0.456 HD12 ' HB2' ' A' ' 16' ' ' PHE . 8.4 pt -93.1 -21.54 6.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.535 1.147 . . . . 0.0 109.322 179.931 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.676 HD13 ' CE3' ' A' ' 42' ' ' TRP . 67.4 mt -73.69 159.53 32.88 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.477 1.111 . . . . 0.0 109.335 179.952 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.023 0 O-C-N 124.523 1.14 . . . . 0.0 111.011 179.994 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 8' ' ' LYS . . . . . 0.549 ' O ' HG12 ' A' ' 34' ' ' VAL . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.293 0 N-CA-C 109.329 -0.619 . . . . 0.0 109.329 . . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 9' ' ' TYR . . . . . 0.549 ' CE2' ' HG2' ' A' ' 33' ' ' GLU . 73.4 m-85 -137.37 175.51 9.54 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.488 1.118 . . . . 0.0 111.006 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 10' ' ' VAL . . . . . 0.61 HG21 ' HB3' ' A' ' 59' ' ' LEU . 3.5 p -140.84 131.26 27.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.481 1.113 . . . . 0.0 109.308 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 11' ' ' LYS . . . . . 0.471 ' CE ' ' HA ' ' A' ' 29' ' ' ASP . 0.0 OUTLIER -96.7 106.28 18.53 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.462 1.102 . . . . 0.0 109.327 -179.995 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.488 HD13 HD23 ' A' ' 59' ' ' LEU . 50.2 mm -49.39 141.1 2.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.561 1.163 . . . . 0.0 109.273 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 34.3 mt -105.05 -35.64 7.57 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.487 1.117 . . . . 0.0 109.274 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 97.2 m-85 -126.6 142.03 51.67 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.532 1.145 . . . . 0.0 110.986 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 15' ' ' ASP . . . . . 0.476 ' HB3' HD12 ' A' ' 27' ' ' LEU . 1.4 p30 -71.56 120.53 17.28 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.483 1.114 . . . . 0.0 109.264 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 53.9 t80 -120.66 147.37 45.34 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.515 1.134 . . . . 0.0 110.928 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 97.7 m -112.58 132.74 54.98 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.519 1.137 . . . . 0.0 110.393 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 0.416 ' HB2' ' N ' ' A' ' 25' ' ' SER . . . . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.5 1.125 . . . . 0.0 109.294 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 . . . . . 0 N--CA 1.453 -0.285 0 N-CA-C 110.303 -0.258 . . . . 0.0 110.303 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.481 ' HB2' ' CA ' ' A' ' 52' ' ' GLY . 5.0 tp -114.19 131.26 56.52 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.494 1.121 . . . . 0.0 109.277 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 25' ' ' SER . . . . . 0.416 ' N ' ' HB2' ' A' ' 18' ' ' ALA . 4.0 p -81.36 117.03 21.49 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.465 1.103 . . . . 0.0 109.962 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 18.4 m -124.27 176.86 5.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.467 1.104 . . . . 0.0 109.294 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.476 HD12 ' HB3' ' A' ' 15' ' ' ASP . 61.6 tp -132.12 168.76 17.42 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.517 1.135 . . . . 0.0 109.294 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.475 ' O ' ' CB ' ' A' ' 29' ' ' ASP . 0.0 OUTLIER -79.11 133.13 36.77 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.533 1.145 . . . . 0.0 109.246 -179.965 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 29' ' ' ASP . . . . . 0.475 ' CB ' ' O ' ' A' ' 28' ' ' LYS . 4.1 t70 80.34 28.96 0.25 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.484 1.115 . . . . 0.0 109.283 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 6.6 mt-10 -109.4 167.38 10.16 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.488 1.118 . . . . 0.0 110.305 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 45.9 t -133.28 113.41 19.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.527 1.142 . . . . 0.0 109.282 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.453 HD23 ' CG1' ' A' ' 12' ' ' ILE . 3.2 mm? -105.82 170.69 7.75 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.532 1.145 . . . . 0.0 109.321 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 33' ' ' GLU . . . . . 0.549 ' HG2' ' CE2' ' A' ' 9' ' ' TYR . 0.9 OUTLIER -99.47 124.42 44.62 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.466 1.104 . . . . 0.0 110.275 -179.977 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.549 HG12 ' O ' ' A' ' 8' ' ' LYS . 8.9 p -90.7 123.07 42.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.522 1.139 . . . . 0.0 109.337 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.423 HD11 ' HB2' ' A' ' 45' ' ' ARG . 0.5 OUTLIER -112.49 -40.42 4.1 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.462 1.101 . . . . 0.0 109.273 -179.953 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -126.17 127.8 46.28 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.544 1.153 . . . . 0.0 110.316 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 3.1 p-10 -142.73 -179.64 6.45 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.515 1.134 . . . . 0.0 109.283 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 97.46 -6.42 63.16 Favored Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.505 1.128 . . . . 0.0 111.012 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 3.9 ttt85 -116.51 164.53 14.44 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.555 0.797 . . . . 0.0 110.333 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 27.7 mt-30 -41.45 -68.3 0.19 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.489 1.118 . . . . 0.0 110.287 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 41' ' ' TRP . . . . . 0.455 ' CE3' ' C ' ' A' ' 54' ' ' VAL . 13.2 m95 -97.13 131.25 44.07 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.523 1.14 . . . . 0.0 107.986 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 42' ' ' TRP . . . . . 0.608 ' CE3' HD13 ' A' ' 59' ' ' LEU . 38.2 m0 -90.13 159.66 16.67 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.506 1.129 . . . . 0.0 107.979 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 43' ' ' LYS . . . . . 0.402 ' HB2' ' CE1' ' A' ' 53' ' ' TYR . 14.8 tttt -109.66 99.85 8.97 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.509 1.131 . . . . 0.0 109.269 -179.939 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.753 ' N ' HD22 ' A' ' 44' ' ' LEU . 0.5 OUTLIER -96.82 167.14 11.28 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.493 1.12 . . . . 0.0 109.345 179.972 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 45' ' ' ARG . . . . . 0.423 ' HB2' HD11 ' A' ' 35' ' ' LEU . 24.3 ttp180 -136.85 129.46 30.32 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.494 1.121 . . . . 0.0 110.338 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 27.6 p -77.57 165.82 23.82 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.555 1.159 . . . . 0.0 110.031 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 4.7 mmm180 -68.95 -11.68 60.92 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.514 1.134 . . . . 0.0 110.239 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -78.23 -16.48 57.79 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.488 1.117 . . . . 0.0 109.961 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 102.69 5.97 47.34 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.483 1.114 . . . . 0.0 110.995 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 30.4 mm-40 -88.1 141.79 28.29 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.516 0.774 . . . . 0.0 110.309 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -127.79 129.14 46.52 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.453 1.096 . . . . 0.0 109.336 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 52' ' ' GLY . . . . . 0.481 ' CA ' ' HB2' ' A' ' 24' ' ' LEU . . . -150.25 168.09 30.2 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.435 1.084 . . . . 0.0 110.989 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 53' ' ' TYR . . . . . 0.402 ' CE1' ' HB2' ' A' ' 43' ' ' LYS . 59.8 m-85 -96.2 153.35 17.85 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.521 0.777 . . . . 0.0 111.011 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.7 ' CG2' HD23 ' A' ' 44' ' ' LEU . 0.0 OUTLIER -152.97 167.02 14.2 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.468 1.105 . . . . 0.0 109.269 -179.995 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 55' ' ' PRO . . . . . 0.405 ' HB2' ' ND2' ' A' ' 57' ' ' ASN . 18.3 Cg_endo -75.01 150.98 38.89 Favored 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.48 1.779 . . . . 0.0 111.002 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 30.9 p -92.34 -15.48 27.27 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.459 1.1 . . . . 0.0 108.299 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 57' ' ' ASN . . . . . 0.771 ' OD1' HG23 ' A' ' 58' ' ' ILE . 4.0 p30 -65.14 -12.14 47.8 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.53 1.144 . . . . 0.0 109.3 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 58' ' ' ILE . . . . . 0.771 HG23 ' OD1' ' A' ' 57' ' ' ASN . 29.1 pt -108.75 -28.79 2.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.48 1.113 . . . . 0.0 109.329 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.61 ' HB3' HG21 ' A' ' 10' ' ' VAL . 85.3 mt -64.3 171.12 3.27 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.49 1.119 . . . . 0.0 109.293 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 60' ' ' GLY . . . . . 0.417 ' H ' HG22 ' A' ' 10' ' ' VAL . . . . . . . . 0 CA--C 1.53 0.972 0 O-C-N 124.459 1.099 . . . . 0.0 111.014 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.281 0 N-CA-C 109.314 -0.624 . . . . 0.0 109.314 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 74.6 m-85 -139.12 164.15 30.54 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.499 1.124 . . . . 0.0 110.952 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 8.5 p -128.7 137.43 57.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.46 1.1 . . . . 0.0 109.327 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 4.0 tttt -98.41 111.02 23.51 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.424 1.078 . . . . 0.0 109.309 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 43.5 mm -60.46 133.39 26.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.451 1.094 . . . . 0.0 109.303 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.535 ' HB2' ' CD1' ' A' ' 14' ' ' TYR . 71.3 mt -97.11 -34.25 11.22 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.123 . . . . 0.0 109.303 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 14' ' ' TYR . . . . . 0.535 ' CD1' ' HB2' ' A' ' 13' ' ' LEU . 10.2 m-85 -131.26 133.23 45.23 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.495 1.122 . . . . 0.0 110.981 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 1.2 p30 -63.85 113.73 3.61 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.496 1.123 . . . . 0.0 109.329 179.936 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 16' ' ' PHE . . . . . 0.5 ' CE2' HG12 ' A' ' 54' ' ' VAL . 87.1 t80 -104.09 146.71 28.34 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.513 1.133 . . . . 0.0 110.995 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 5.7 m -118.35 110.22 17.22 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.52 1.138 . . . . 0.0 110.385 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.51 0 O-C-N 124.506 1.129 . . . . 0.0 109.312 -179.999 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 41.5 mt-10 . . . . . 0 N--CA 1.453 -0.301 0 N-CA-C 110.323 -0.251 . . . . 0.0 110.323 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.475 ' HB2' ' CA ' ' A' ' 52' ' ' GLY . 4.8 tp -108.87 145.53 35.18 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.481 1.113 . . . . 0.0 109.362 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 7.2 p -98.89 119.97 38.56 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.5 1.125 . . . . 0.0 110.0 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.562 ' C ' HD22 ' A' ' 27' ' ' LEU . 26.6 m -133.39 156.27 41.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.534 1.146 . . . . 0.0 109.318 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.562 HD22 ' C ' ' A' ' 26' ' ' VAL . 1.2 mm? -105.87 179.14 4.36 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.545 1.153 . . . . 0.0 109.281 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.402 ' HG2' ' N ' ' A' ' 29' ' ' ASP . 7.2 ttmt -81.4 142.84 32.61 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.529 1.143 . . . . 0.0 109.31 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 29' ' ' ASP . . . . . 0.402 ' N ' ' HG2' ' A' ' 28' ' ' LYS . 16.9 t0 72.01 28.47 2.54 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.494 1.121 . . . . 0.0 109.33 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 17.3 mt-10 -107.84 162.03 14.37 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.531 1.144 . . . . 0.0 110.305 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.429 ' C ' HD22 ' A' ' 32' ' ' LEU . 73.5 t -133.95 119.91 33.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.496 1.122 . . . . 0.0 109.262 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.572 HD12 ' HA ' ' A' ' 46' ' ' SER . 2.4 mm? -108.8 178.39 4.49 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.472 1.107 . . . . 0.0 109.295 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 33' ' ' GLU . . . . . 0.41 ' HG2' HD23 ' A' ' 35' ' ' LEU . 4.7 tt0 -104.4 104.11 13.92 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.513 1.133 . . . . 0.0 110.294 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.426 HG13 ' O ' ' A' ' 34' ' ' VAL . 14.6 p -68.1 117.31 9.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.451 1.094 . . . . 0.0 109.295 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.676 HD11 ' HB2' ' A' ' 45' ' ' ARG . 1.2 mt -98.25 -47.97 5.25 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.524 1.14 . . . . 0.0 109.322 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 7.7 mm-40 -128.04 124.28 36.72 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.542 1.151 . . . . 0.0 110.256 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -135.51 -177.91 4.88 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.527 1.142 . . . . 0.0 109.313 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 90.85 -10.02 76.08 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.497 1.123 . . . . 0.0 111.059 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 4.6 ttt85 -109.35 165.42 11.64 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.465 0.744 . . . . 0.0 110.273 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 25.7 mt-30 -38.92 -63.78 0.5 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.52 1.138 . . . . 0.0 110.279 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 41' ' ' TRP . . . . . 0.427 ' CE3' ' C ' ' A' ' 54' ' ' VAL . 13.1 m95 -105.47 132.67 51.36 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.52 1.137 . . . . 0.0 108.048 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 42' ' ' TRP . . . . . 0.813 ' CE3' HD13 ' A' ' 59' ' ' LEU . 43.9 m0 -87.51 163.57 16.6 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.575 1.172 . . . . 0.0 108.024 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 43' ' ' LYS . . . . . 0.538 ' HB2' ' CE1' ' A' ' 53' ' ' TYR . 56.4 tttt -115.48 99.84 7.65 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.501 1.126 . . . . 0.0 109.267 -179.946 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.809 HD23 ' CG2' ' A' ' 54' ' ' VAL . 0.1 OUTLIER -102.06 164.09 11.89 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.546 1.154 . . . . 0.0 109.24 -179.98 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 45' ' ' ARG . . . . . 0.676 ' HB2' HD11 ' A' ' 35' ' ' LEU . 23.0 ttp180 -131.57 135.58 47.12 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.515 1.134 . . . . 0.0 110.316 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 46' ' ' SER . . . . . 0.572 ' HA ' HD12 ' A' ' 32' ' ' LEU . 96.3 p -85.01 165.39 17.59 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.49 1.119 . . . . 0.0 110.016 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.89 -15.78 63.59 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.491 1.12 . . . . 0.0 110.293 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -75.95 -1.59 26.33 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.51 1.131 . . . . 0.0 109.983 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 82.7 29.79 34.42 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.555 1.16 . . . . 0.0 110.958 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 50' ' ' GLN . . . . . 0.466 ' O ' ' CG ' ' A' ' 45' ' ' ARG . 14.1 mm100 -112.97 153.69 27.64 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.502 0.766 . . . . 0.0 110.334 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 51' ' ' ALA . . . . . 0.437 ' CA ' HD13 ' A' ' 24' ' ' LEU . . . -137.37 129.47 29.24 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.524 1.14 . . . . 0.0 109.294 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 52' ' ' GLY . . . . . 0.475 ' CA ' ' HB2' ' A' ' 24' ' ' LEU . . . -150.24 153.69 25.21 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.509 1.131 . . . . 0.0 110.996 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 53' ' ' TYR . . . . . 0.538 ' CE1' ' HB2' ' A' ' 43' ' ' LYS . 41.6 m-85 -85.79 144.14 27.91 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.484 0.755 . . . . 0.0 110.974 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.809 ' CG2' HD23 ' A' ' 44' ' ' LEU . 0.0 OUTLIER -143.9 165.89 22.09 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.478 1.111 . . . . 0.0 109.311 179.971 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 144.59 30.43 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.527 1.804 . . . . 0.0 111.058 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 26.9 p -83.27 0.48 45.44 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.533 1.146 . . . . 0.0 108.327 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -71.76 -29.14 64.17 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.479 1.112 . . . . 0.0 109.309 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 58' ' ' ILE . . . . . 0.44 HD12 ' HB2' ' A' ' 16' ' ' PHE . 9.0 pt -97.44 -21.73 5.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.446 1.092 . . . . 0.0 109.302 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.813 HD13 ' CE3' ' A' ' 42' ' ' TRP . 86.1 mt -65.33 164.25 13.95 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.477 1.111 . . . . 0.0 109.317 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.038 0 O-C-N 124.517 1.136 . . . . 0.0 110.959 179.989 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.3 0 N-CA-C 109.294 -0.632 . . . . 0.0 109.294 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 66.1 m-85 -144.4 161.73 38.27 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.497 1.123 . . . . 0.0 110.987 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 10' ' ' VAL . . . . . 0.519 HG21 ' HB3' ' A' ' 59' ' ' LEU . 14.5 p -133.81 147.53 30.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.515 1.134 . . . . 0.0 109.308 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 11' ' ' LYS . . . . . 0.455 ' CE ' ' HA ' ' A' ' 29' ' ' ASP . 14.1 tttt -107.23 127.38 53.48 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.532 1.145 . . . . 0.0 109.309 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.605 HD11 HD23 ' A' ' 32' ' ' LEU . 22.9 mm -72.67 127.34 34.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.541 1.151 . . . . 0.0 109.273 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 70.5 mt -94.61 -21.8 18.58 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.525 1.141 . . . . 0.0 109.283 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 14' ' ' TYR . . . . . 0.459 ' O ' ' CG2' ' A' ' 12' ' ' ILE . 97.3 m-85 -142.44 143.55 32.67 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.47 1.107 . . . . 0.0 111.006 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -72.62 110.94 7.35 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.487 1.117 . . . . 0.0 109.268 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 16' ' ' PHE . . . . . 0.649 ' CD2' HG12 ' A' ' 54' ' ' VAL . 68.0 t80 -109.6 141.31 42.3 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.49 1.119 . . . . 0.0 111.044 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 3.9 m -120.43 118.92 31.55 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.556 1.16 . . . . 0.0 110.406 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.51 0 O-C-N 124.499 1.124 . . . . 0.0 109.285 179.986 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 41.7 mt-10 . . . . . 0 N--CA 1.454 -0.252 0 N-CA-C 110.256 -0.275 . . . . 0.0 110.256 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.431 HD13 ' N ' ' A' ' 52' ' ' GLY . 7.2 tp -122.58 142.94 50.09 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.494 1.121 . . . . 0.0 109.263 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 2.3 p -99.59 115.06 28.52 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.513 1.133 . . . . 0.0 110.023 179.936 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 33.7 m -134.68 158.56 41.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.524 1.14 . . . . 0.0 109.324 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.51 ' O ' HG21 ' A' ' 12' ' ' ILE . 3.2 mm? -101.34 178.96 4.5 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.496 1.122 . . . . 0.0 109.295 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.535 ' O ' ' CB ' ' A' ' 29' ' ' ASP . 0.0 OUTLIER -87.29 141.47 28.62 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.523 1.139 . . . . 0.0 109.272 -179.973 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 29' ' ' ASP . . . . . 0.535 ' CB ' ' O ' ' A' ' 28' ' ' LYS . 17.6 t0 84.8 -9.47 0.87 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.499 1.124 . . . . 0.0 109.315 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 30' ' ' GLU . . . . . 0.463 ' OE2' ' CB ' ' A' ' 27' ' ' LEU . 0.2 OUTLIER -68.77 167.53 15.24 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.5 1.125 . . . . 0.0 110.286 -179.962 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.523 ' C ' HD22 ' A' ' 32' ' ' LEU . 54.4 t -134.47 121.72 37.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.485 1.116 . . . . 0.0 109.294 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.605 HD23 HD11 ' A' ' 12' ' ' ILE . 2.8 mm? -113.24 176.36 5.06 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.466 1.104 . . . . 0.0 109.282 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 33' ' ' GLU . . . . . 0.438 ' HG2' ' CD2' ' A' ' 35' ' ' LEU . 8.3 tt0 -108.01 118.82 37.75 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.48 1.113 . . . . 0.0 110.288 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 8.8 p -80.17 132.2 32.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.531 1.144 . . . . 0.0 109.293 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.5 HD11 ' HB2' ' A' ' 45' ' ' ARG . 0.6 OUTLIER -117.0 -51.12 2.57 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.562 1.164 . . . . 0.0 109.266 -179.955 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 7.0 mm-40 -116.69 124.15 48.99 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.506 1.129 . . . . 0.0 110.301 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 1.1 p-10 -133.63 173.62 11.31 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.473 1.108 . . . . 0.0 109.312 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 99.42 -13.98 61.1 Favored Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.431 1.082 . . . . 0.0 110.998 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -107.4 165.15 11.6 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.462 0.743 . . . . 0.0 110.254 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -45.47 -67.79 0.25 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.465 1.103 . . . . 0.0 110.35 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 41' ' ' TRP . . . . . 0.441 ' CE3' ' C ' ' A' ' 54' ' ' VAL . 19.0 m95 -93.08 133.67 36.0 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.518 1.136 . . . . 0.0 108.014 179.943 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 42' ' ' TRP . . . . . 0.794 ' CE3' HD13 ' A' ' 59' ' ' LEU . 47.0 m0 -90.08 162.91 15.09 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.502 1.126 . . . . 0.0 107.969 -179.952 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 10.4 tttp -115.0 99.75 7.68 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.532 1.145 . . . . 0.0 109.277 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.812 HD23 ' CG2' ' A' ' 54' ' ' VAL . 0.1 OUTLIER -102.54 160.85 14.2 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.534 1.147 . . . . 0.0 109.293 179.969 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 45' ' ' ARG . . . . . 0.5 ' HB2' HD11 ' A' ' 35' ' ' LEU . 15.1 ttp180 -132.71 122.67 24.94 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.497 1.123 . . . . 0.0 110.283 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 46' ' ' SER . . . . . 0.517 ' HA ' HD12 ' A' ' 32' ' ' LEU . 1.5 t -67.91 163.31 22.31 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.476 1.11 . . . . 0.0 110.024 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.32 -22.89 63.74 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.465 1.103 . . . . 0.0 110.276 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -68.03 -20.14 64.97 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.486 1.116 . . . . 0.0 110.029 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 108.26 -11.75 36.82 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.467 1.104 . . . . 0.0 110.981 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 50' ' ' GLN . . . . . 0.494 ' O ' ' CG ' ' A' ' 45' ' ' ARG . 5.8 mm-40 -64.59 152.61 41.63 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.466 0.744 . . . . 0.0 110.32 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -138.44 130.37 28.21 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.438 1.086 . . . . 0.0 109.271 -179.945 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 52' ' ' GLY . . . . . 0.431 ' N ' HD13 ' A' ' 24' ' ' LEU . . . -149.96 175.05 29.25 Favored Glycine 0 CA--C 1.531 1.066 0 O-C-N 124.485 1.115 . . . . 0.0 111.005 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 38.2 m-85 -105.86 143.43 34.02 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.527 0.781 . . . . 0.0 111.009 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.812 ' CG2' HD23 ' A' ' 44' ' ' LEU . 0.0 OUTLIER -145.01 165.45 22.15 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.513 1.133 . . . . 0.0 109.277 -179.957 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 146.66 33.13 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.5 1.79 . . . . 0.0 111.015 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 56' ' ' CYS . . . . . 0.449 ' HA ' HD12 ' A' ' 59' ' ' LEU . 30.0 p -83.82 0.59 46.86 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 0.0 108.33 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 23.8 m-20 -74.31 -26.2 60.03 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.477 1.111 . . . . 0.0 109.296 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 19.4 pt -98.82 -25.15 4.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.476 1.11 . . . . 0.0 109.319 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.794 HD13 ' CE3' ' A' ' 42' ' ' TRP . 74.0 mt -68.17 154.29 42.01 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.509 1.13 . . . . 0.0 109.288 -179.95 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.972 0 O-C-N 124.449 1.093 . . . . 0.0 111.045 -179.987 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.453 -0.297 0 N-CA-C 109.283 -0.636 . . . . 0.0 109.283 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 91.5 m-85 -143.66 168.59 19.54 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.427 1.079 . . . . 0.0 111.025 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 10' ' ' VAL . . . . . 0.762 HG21 ' HB3' ' A' ' 59' ' ' LEU . 4.9 p -134.17 135.58 54.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.495 1.122 . . . . 0.0 109.269 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 12.5 tttt -93.07 121.67 34.65 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.501 1.125 . . . . 0.0 109.279 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.563 HG21 ' O ' ' A' ' 27' ' ' LEU . 34.4 mm -66.38 111.26 1.65 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.5 1.125 . . . . 0.0 109.311 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 87.1 mt -76.6 -28.53 56.18 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.539 1.149 . . . . 0.0 109.3 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 14' ' ' TYR . . . . . 0.463 ' O ' ' CG2' ' A' ' 12' ' ' ILE . 71.1 m-85 -142.2 145.07 33.73 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.549 1.156 . . . . 0.0 110.964 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 15' ' ' ASP . . . . . 0.411 ' N ' ' HB2' ' A' ' 28' ' ' LYS . 5.2 p-10 -72.28 125.28 26.95 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.487 1.117 . . . . 0.0 109.264 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 16' ' ' PHE . . . . . 0.532 ' CE2' HG12 ' A' ' 54' ' ' VAL . 81.6 t80 -125.19 145.0 50.17 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.505 1.128 . . . . 0.0 110.969 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 3.5 m -121.92 114.5 21.08 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.451 1.095 . . . . 0.0 110.424 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.449 1.093 . . . . 0.0 109.265 179.999 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 8.3 mt-10 . . . . . 0 N--CA 1.453 -0.305 0 N-CA-C 110.303 -0.258 . . . . 0.0 110.303 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.486 HD13 ' N ' ' A' ' 52' ' ' GLY . 4.0 tp -123.63 143.49 50.2 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.485 1.116 . . . . 0.0 109.311 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 2.3 p -94.99 114.39 26.19 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.515 1.134 . . . . 0.0 109.968 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.412 HG23 HG21 ' A' ' 12' ' ' ILE . 5.4 m -123.51 172.83 10.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.477 1.111 . . . . 0.0 109.303 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.563 ' O ' HG21 ' A' ' 12' ' ' ILE . 58.9 tp -120.98 168.08 11.89 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.493 1.121 . . . . 0.0 109.292 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.49 ' O ' ' CB ' ' A' ' 29' ' ' ASP . 0.0 OUTLIER -82.85 140.12 33.09 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.553 1.158 . . . . 0.0 109.325 -179.998 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 29' ' ' ASP . . . . . 0.49 ' CB ' ' O ' ' A' ' 28' ' ' LYS . 1.9 m-20 81.65 3.94 1.37 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.505 1.128 . . . . 0.0 109.284 -179.951 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -91.87 165.0 13.47 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.472 1.107 . . . . 0.0 110.31 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.527 ' C ' HD22 ' A' ' 32' ' ' LEU . 85.8 t -133.84 119.52 33.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.494 1.121 . . . . 0.0 109.315 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.527 HD22 ' C ' ' A' ' 31' ' ' VAL . 2.5 mm? -109.36 178.14 4.53 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.488 1.117 . . . . 0.0 109.306 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 33' ' ' GLU . . . . . 0.426 ' O ' ' HA ' ' A' ' 44' ' ' LEU . 7.2 tt0 -107.99 132.24 53.73 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.447 1.092 . . . . 0.0 110.307 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.454 ' HA ' ' CD1' ' A' ' 44' ' ' LEU . 10.4 p -83.49 130.31 36.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.564 1.165 . . . . 0.0 109.309 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.468 ' N ' HD12 ' A' ' 35' ' ' LEU . 6.5 mp -98.26 -51.82 3.87 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.463 1.102 . . . . 0.0 109.323 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -128.65 135.95 49.98 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.464 1.103 . . . . 0.0 110.323 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -132.34 174.55 10.12 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.472 1.107 . . . . 0.0 109.279 -179.946 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 100.0 -3.92 57.27 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.486 1.116 . . . . 0.0 111.022 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 4.1 mtp180 -122.0 162.36 21.27 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.416 0.715 . . . . 0.0 110.316 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -45.34 -72.51 0.06 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.47 1.106 . . . . 0.0 110.248 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 41' ' ' TRP . . . . . 0.412 ' CE3' ' C ' ' A' ' 54' ' ' VAL . 13.1 m95 -84.57 128.59 34.68 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.477 1.11 . . . . 0.0 108.032 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 46.0 m0 -86.79 163.02 17.5 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.532 1.145 . . . . 0.0 108.037 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 43' ' ' LYS . . . . . 0.442 ' HB2' ' CE1' ' A' ' 53' ' ' TYR . 63.0 tttt -114.45 105.2 12.83 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.451 1.095 . . . . 0.0 109.323 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.797 ' N ' HD22 ' A' ' 44' ' ' LEU . 0.0 OUTLIER -106.71 167.03 10.14 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.556 1.16 . . . . 0.0 109.31 179.985 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 45' ' ' ARG . . . . . 0.441 ' CB ' HD11 ' A' ' 35' ' ' LEU . 24.3 ttm180 -137.13 127.45 26.44 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.544 1.152 . . . . 0.0 110.308 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 25.6 p -77.12 166.65 22.99 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.518 1.136 . . . . 0.0 109.966 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.39 -11.38 59.53 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.499 1.125 . . . . 0.0 110.311 179.943 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 23.1 t -84.32 8.12 17.11 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.511 1.132 . . . . 0.0 109.968 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 76.11 12.1 84.34 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.557 1.161 . . . . 0.0 111.016 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 50' ' ' GLN . . . . . 0.415 ' O ' ' HA ' ' A' ' 45' ' ' ARG . 66.5 mm-40 -90.95 143.27 26.9 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.436 0.727 . . . . 0.0 110.289 -179.951 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -133.03 127.75 34.77 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.48 1.112 . . . . 0.0 109.315 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 52' ' ' GLY . . . . . 0.486 ' N ' HD13 ' A' ' 24' ' ' LEU . . . -150.31 157.9 27.42 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.503 1.127 . . . . 0.0 111.038 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 53' ' ' TYR . . . . . 0.442 ' CE1' ' HB2' ' A' ' 43' ' ' LYS . 47.7 m-85 -88.14 153.27 21.38 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.509 0.77 . . . . 0.0 111.034 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.685 ' CG2' HD23 ' A' ' 44' ' ' LEU . 0.0 OUTLIER -153.47 165.11 18.45 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.51 1.131 . . . . 0.0 109.337 -179.991 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 144.26 30.16 Favored 'Trans proline' 0 C--N 1.359 1.117 0 O-C-N 124.465 1.771 . . . . 0.0 110.976 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 31.2 p -83.95 0.85 46.23 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.506 1.128 . . . . 0.0 108.273 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -74.14 -21.05 60.03 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.504 1.127 . . . . 0.0 109.329 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 31.2 pt -104.97 -19.09 6.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.128 . . . . 0.0 109.272 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.762 ' HB3' HG21 ' A' ' 10' ' ' VAL . 91.6 mt -74.07 153.29 39.69 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.518 1.136 . . . . 0.0 109.274 -179.95 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 60' ' ' GLY . . . . . 0.539 ' H ' HG22 ' A' ' 10' ' ' VAL . . . . . . . . 0 CA--C 1.53 1.003 0 O-C-N 124.539 1.15 . . . . 0.0 110.973 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 14.8 tttt . . . . . 0 N--CA 1.453 -0.315 0 N-CA-C 109.318 -0.623 . . . . 0.0 109.318 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 94.5 m-85 -136.42 172.08 13.54 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.504 1.127 . . . . 0.0 110.982 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 10' ' ' VAL . . . . . 0.569 HG23 ' O ' ' A' ' 60' ' ' GLY . 7.1 p -128.54 154.09 38.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.509 1.13 . . . . 0.0 109.263 -179.929 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 12.1 tttt -113.49 123.99 51.33 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.519 1.137 . . . . 0.0 109.34 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.479 HG21 ' O ' ' A' ' 27' ' ' LEU . 51.3 mm -71.09 119.46 17.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.442 1.089 . . . . 0.0 109.3 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 43.3 mt -87.18 -20.51 26.88 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.462 1.101 . . . . 0.0 109.33 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 68.3 m-85 -149.31 136.96 20.29 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.499 1.124 . . . . 0.0 110.96 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 10.3 p-10 -63.58 135.79 57.06 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.44 1.087 . . . . 0.0 109.323 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 16' ' ' PHE . . . . . 0.514 ' CE2' HG12 ' A' ' 54' ' ' VAL . 85.6 t80 -128.13 136.15 50.76 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.466 1.104 . . . . 0.0 111.021 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 76.8 m -104.92 97.26 7.15 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.521 1.138 . . . . 0.0 110.387 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 0.725 ' HB2' ' C ' ' A' ' 24' ' ' LEU . . . . . . . . 0 C--N 1.325 -0.464 0 O-C-N 124.496 1.123 . . . . 0.0 109.289 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 60.1 mt-10 . . . . . 0 N--CA 1.453 -0.294 0 N-CA-C 110.29 -0.263 . . . . 0.0 110.29 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.725 ' C ' ' HB2' ' A' ' 18' ' ' ALA . 5.1 tp -113.64 146.7 39.36 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.517 1.136 . . . . 0.0 109.317 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 12.9 p -101.86 121.8 42.79 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.486 1.116 . . . . 0.0 110.011 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.448 HG11 ' HG ' ' A' ' 32' ' ' LEU . 34.7 m -134.03 168.63 23.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.473 1.108 . . . . 0.0 109.283 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.479 ' O ' HG21 ' A' ' 12' ' ' ILE . 4.8 mt -118.48 178.76 4.34 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.485 1.116 . . . . 0.0 109.291 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -85.49 147.0 26.67 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.483 1.114 . . . . 0.0 109.329 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 13.1 t70 74.68 5.84 4.45 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.567 1.167 . . . . 0.0 109.305 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -89.31 161.4 16.38 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.457 1.098 . . . . 0.0 110.31 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.406 ' HA ' ' O ' ' A' ' 10' ' ' VAL . 55.0 t -129.95 109.54 17.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.47 1.106 . . . . 0.0 109.3 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.448 ' HG ' HG11 ' A' ' 26' ' ' VAL . 3.1 mm? -100.32 163.76 12.24 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.51 1.131 . . . . 0.0 109.303 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 33' ' ' GLU . . . . . 0.418 ' O ' ' HA ' ' A' ' 44' ' ' LEU . 4.6 tt0 -97.09 130.53 44.36 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.526 1.141 . . . . 0.0 110.295 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.489 ' HA ' HD12 ' A' ' 44' ' ' LEU . 11.7 p -82.14 132.21 31.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.444 1.09 . . . . 0.0 109.322 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.407 HD13 ' HA ' ' A' ' 44' ' ' LEU . 7.3 mp -105.7 -52.47 2.81 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.454 1.096 . . . . 0.0 109.326 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 13.8 mm-40 -129.27 131.81 47.07 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.473 1.108 . . . . 0.0 110.298 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -132.25 172.86 11.89 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.482 1.114 . . . . 0.0 109.288 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 99.68 -10.11 60.69 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.505 1.128 . . . . 0.0 111.001 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -112.14 161.02 16.99 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.482 0.754 . . . . 0.0 110.289 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -40.62 -72.52 0.06 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.486 1.116 . . . . 0.0 110.277 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 41' ' ' TRP . . . . . 0.476 ' CE3' ' C ' ' A' ' 54' ' ' VAL . 16.6 m95 -88.72 133.79 34.12 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 0.0 107.976 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 42' ' ' TRP . . . . . 0.503 ' CE3' HD13 ' A' ' 59' ' ' LEU . 45.1 m0 -87.17 162.82 17.28 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.544 1.152 . . . . 0.0 108.01 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 43' ' ' LYS . . . . . 0.443 ' HB2' ' CE1' ' A' ' 53' ' ' TYR . 8.0 tttp -118.77 109.19 15.77 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.488 1.117 . . . . 0.0 109.26 -179.954 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.775 ' N ' HD22 ' A' ' 44' ' ' LEU . 0.0 OUTLIER -112.98 167.32 10.61 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.478 1.111 . . . . 0.0 109.307 179.96 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 45' ' ' ARG . . . . . 0.501 ' CG ' ' O ' ' A' ' 50' ' ' GLN . 16.8 ttp180 -130.74 126.89 37.58 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.464 1.102 . . . . 0.0 110.271 -179.914 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 63.9 p -68.16 159.63 30.67 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.488 1.118 . . . . 0.0 110.001 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 2.6 mmm-85 -61.05 -16.08 39.59 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.462 1.101 . . . . 0.0 110.317 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -77.55 -16.88 58.39 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.438 1.087 . . . . 0.0 109.951 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 108.98 -12.16 34.46 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.514 1.133 . . . . 0.0 110.968 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 50' ' ' GLN . . . . . 0.501 ' O ' ' CG ' ' A' ' 45' ' ' ARG . 0.2 OUTLIER -67.28 154.74 40.58 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.505 0.768 . . . . 0.0 110.309 -179.996 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -138.56 129.49 26.74 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.51 1.131 . . . . 0.0 109.303 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 52' ' ' GLY . . . . . 0.616 ' N ' HD13 ' A' ' 24' ' ' LEU . . . -150.15 164.57 29.7 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.515 1.135 . . . . 0.0 110.978 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 53' ' ' TYR . . . . . 0.443 ' CE1' ' HB2' ' A' ' 43' ' ' LYS . 46.9 m-85 -94.1 152.6 18.65 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.472 0.748 . . . . 0.0 110.983 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.663 ' CG2' HD23 ' A' ' 44' ' ' LEU . 0.0 OUTLIER -152.36 166.03 16.22 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.516 1.135 . . . . 0.0 109.274 -179.982 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 142.59 28.03 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.511 1.795 . . . . 0.0 110.979 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 56' ' ' CYS . . . . . 0.518 ' HA ' HD12 ' A' ' 59' ' ' LEU . 31.9 p -81.54 0.14 39.45 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.471 1.107 . . . . 0.0 108.346 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 50.4 m-80 -71.7 -33.28 68.64 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.48 1.113 . . . . 0.0 109.293 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 11.1 pt -92.82 -22.14 5.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.552 1.158 . . . . 0.0 109.289 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.552 ' HB3' HG21 ' A' ' 10' ' ' VAL . 82.2 mt -70.97 150.48 45.63 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.488 1.118 . . . . 0.0 109.292 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 60' ' ' GLY . . . . . 0.569 ' O ' HG23 ' A' ' 10' ' ' VAL . . . . . . . . 0 CA--C 1.529 0.967 0 O-C-N 124.508 1.13 . . . . 0.0 110.998 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 8' ' ' LYS . . . . . 0.436 ' HG2' ' CG1' ' A' ' 34' ' ' VAL . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.311 0 N-CA-C 109.31 -0.626 . . . . 0.0 109.31 . . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 65.6 m-85 -130.72 167.94 18.0 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.445 1.091 . . . . 0.0 111.005 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 10' ' ' VAL . . . . . 0.477 HG21 ' HB3' ' A' ' 59' ' ' LEU . 4.1 p -131.09 133.21 62.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.514 1.134 . . . . 0.0 109.34 179.935 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -99.8 127.2 45.96 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.467 1.104 . . . . 0.0 109.279 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.578 HG21 ' O ' ' A' ' 27' ' ' LEU . 30.3 mm -71.23 115.58 11.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.465 1.103 . . . . 0.0 109.291 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 91.2 mt -81.25 -23.14 38.21 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.467 1.105 . . . . 0.0 109.294 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 14' ' ' TYR . . . . . 0.491 ' O ' ' CG2' ' A' ' 12' ' ' ILE . 95.5 m-85 -145.03 141.27 28.75 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.519 1.137 . . . . 0.0 111.003 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 15' ' ' ASP . . . . . 0.409 ' N ' ' HB2' ' A' ' 28' ' ' LYS . 2.1 p30 -67.11 119.2 11.64 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.506 1.129 . . . . 0.0 109.284 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 16' ' ' PHE . . . . . 0.536 ' CE2' HG12 ' A' ' 54' ' ' VAL . 61.1 t80 -116.06 146.4 42.23 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.482 1.114 . . . . 0.0 110.966 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 22.3 m -121.77 128.9 52.25 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.491 1.12 . . . . 0.0 110.352 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.549 1.156 . . . . 0.0 109.321 179.96 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 34.0 mt-10 . . . . . 0 N--CA 1.453 -0.298 0 N-CA-C 110.267 -0.272 . . . . 0.0 110.267 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.82 HD13 ' N ' ' A' ' 52' ' ' GLY . 8.4 tp -122.3 140.85 52.16 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.521 1.138 . . . . 0.0 109.322 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 3.8 p -96.0 120.47 36.34 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.502 1.126 . . . . 0.0 110.024 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.514 HG11 ' HG ' ' A' ' 32' ' ' LEU . 26.9 m -141.84 164.4 18.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.549 1.156 . . . . 0.0 109.32 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.578 ' O ' HG21 ' A' ' 12' ' ' ILE . 12.5 mt -108.87 178.98 4.31 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.523 1.139 . . . . 0.0 109.263 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.523 ' O ' ' CB ' ' A' ' 29' ' ' ASP . 25.4 tttt -88.0 141.74 28.34 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.517 1.136 . . . . 0.0 109.295 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 29' ' ' ASP . . . . . 0.523 ' CB ' ' O ' ' A' ' 28' ' ' LYS . 2.9 m-20 84.77 -10.08 0.85 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.51 1.131 . . . . 0.0 109.309 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -70.71 167.47 18.65 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.446 1.092 . . . . 0.0 110.336 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 73.6 t -134.32 112.09 15.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.54 1.15 . . . . 0.0 109.292 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.744 HD12 ' HA ' ' A' ' 46' ' ' SER . 3.3 mm? -104.59 168.75 8.88 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.513 1.133 . . . . 0.0 109.274 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 8.5 tt0 -99.83 132.13 45.37 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.452 1.095 . . . . 0.0 110.279 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.436 ' CG1' ' HG2' ' A' ' 8' ' ' LYS . 14.4 p -89.51 132.49 34.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.464 1.102 . . . . 0.0 109.283 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.715 HD11 ' HB2' ' A' ' 45' ' ' ARG . 0.5 OUTLIER -115.14 -48.42 2.82 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.499 1.124 . . . . 0.0 109.29 179.994 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -120.44 128.48 53.21 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.521 1.138 . . . . 0.0 110.295 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 2.3 p-10 -138.7 173.74 11.26 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.504 1.127 . . . . 0.0 109.303 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 99.37 -12.06 61.65 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.528 1.142 . . . . 0.0 110.999 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -110.23 164.4 12.69 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.537 0.786 . . . . 0.0 110.337 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 14.2 mm-40 -44.53 -62.47 1.18 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.469 1.106 . . . . 0.0 110.322 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 41' ' ' TRP . . . . . 0.416 ' CE3' ' C ' ' A' ' 54' ' ' VAL . 15.8 m95 -99.23 131.75 45.03 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.498 1.124 . . . . 0.0 107.974 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 42' ' ' TRP . . . . . 0.791 ' CE3' HD13 ' A' ' 59' ' ' LEU . 32.6 m0 -89.02 161.02 16.81 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.519 1.137 . . . . 0.0 107.992 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 43' ' ' LYS . . . . . 0.515 ' HD2' ' CZ ' ' A' ' 53' ' ' TYR . 17.4 tttt -112.69 99.64 8.09 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.504 1.127 . . . . 0.0 109.304 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.748 ' N ' HD22 ' A' ' 44' ' ' LEU . 0.1 OUTLIER -102.42 167.49 9.92 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.538 1.149 . . . . 0.0 109.284 -179.971 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 45' ' ' ARG . . . . . 0.715 ' HB2' HD11 ' A' ' 35' ' ' LEU . 18.8 ttp180 -131.17 120.09 22.8 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.496 1.122 . . . . 0.0 110.3 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 46' ' ' SER . . . . . 0.744 ' HA ' HD12 ' A' ' 32' ' ' LEU . 1.2 t -67.92 136.37 53.88 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.486 1.116 . . . . 0.0 109.991 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -48.79 -21.38 0.62 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.497 1.123 . . . . 0.0 110.313 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 48' ' ' SER . . . . . 0.402 ' N ' ' C ' ' A' ' 46' ' ' SER . 0.6 OUTLIER -66.83 -25.15 66.29 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.494 1.121 . . . . 0.0 110.008 179.961 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 110.1 28.91 3.95 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.487 1.117 . . . . 0.0 110.987 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 50' ' ' GLN . . . . . 0.681 ' O ' HD11 ' A' ' 24' ' ' LEU . 6.3 mm100 -119.1 130.26 55.49 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.511 0.771 . . . . 0.0 110.346 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 51' ' ' ALA . . . . . 0.603 ' C ' HD13 ' A' ' 24' ' ' LEU . . . -113.48 128.18 56.36 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.494 1.121 . . . . 0.0 109.269 -179.939 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 52' ' ' GLY . . . . . 0.82 ' N ' HD13 ' A' ' 24' ' ' LEU . . . -150.66 176.12 29.37 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.503 1.127 . . . . 0.0 111.017 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 53' ' ' TYR . . . . . 0.515 ' CZ ' ' HD2' ' A' ' 43' ' ' LYS . 49.9 m-85 -104.77 148.19 26.88 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.561 0.8 . . . . 0.0 111.005 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.666 ' CG2' HD23 ' A' ' 44' ' ' LEU . 0.0 OUTLIER -151.46 165.91 16.34 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.489 1.118 . . . . 0.0 109.281 -179.978 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 143.32 28.94 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.462 1.77 . . . . 0.0 111.013 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 56' ' ' CYS . . . . . 0.495 ' HA ' HD12 ' A' ' 59' ' ' LEU . 30.7 p -81.7 1.39 34.49 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.478 1.111 . . . . 0.0 108.305 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -74.29 -25.15 59.41 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.514 1.134 . . . . 0.0 109.296 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 25.9 pt -101.42 -19.52 5.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.469 1.106 . . . . 0.0 109.284 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.791 HD13 ' CE3' ' A' ' 42' ' ' TRP . 96.4 mt -67.17 155.73 38.03 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.49 1.118 . . . . 0.0 109.322 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 60' ' ' GLY . . . . . 0.447 ' H ' HG22 ' A' ' 10' ' ' VAL . . . . . . . . 0 CA--C 1.53 1.029 0 O-C-N 124.483 1.114 . . . . 0.0 111.024 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 11.2 mttt . . . . . 0 N--CA 1.453 -0.289 0 N-CA-C 109.293 -0.632 . . . . 0.0 109.293 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 62.3 m-85 -142.42 175.45 9.77 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.516 1.135 . . . . 0.0 110.956 -179.945 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 10' ' ' VAL . . . . . 0.55 HG21 ' HB3' ' A' ' 59' ' ' LEU . 9.6 p -134.68 144.03 36.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.505 1.128 . . . . 0.0 109.302 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 11' ' ' LYS . . . . . 0.475 ' CE ' ' HA ' ' A' ' 29' ' ' ASP . 0.0 OUTLIER -109.28 104.85 14.06 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.497 1.123 . . . . 0.0 109.311 179.994 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.599 HG12 HD23 ' A' ' 32' ' ' LEU . 44.9 mm -48.43 124.1 1.91 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.486 1.116 . . . . 0.0 109.261 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.421 ' HB2' ' CD1' ' A' ' 14' ' ' TYR . 67.8 mt -89.55 -33.32 16.77 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.494 1.121 . . . . 0.0 109.287 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 14' ' ' TYR . . . . . 0.421 ' CD1' ' HB2' ' A' ' 13' ' ' LEU . 37.0 m-85 -133.3 136.43 45.47 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.469 1.106 . . . . 0.0 110.983 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -62.52 113.89 3.22 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.497 1.123 . . . . 0.0 109.332 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 16' ' ' PHE . . . . . 0.65 ' CE2' HG12 ' A' ' 54' ' ' VAL . 60.5 t80 -108.98 139.39 43.91 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.504 1.127 . . . . 0.0 111.017 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 4.0 m -116.9 121.34 41.18 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.558 1.162 . . . . 0.0 110.375 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.512 0 O-C-N 124.493 1.12 . . . . 0.0 109.304 179.953 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 28.8 mt-10 . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 110.291 -0.263 . . . . 0.0 110.291 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.49 HD13 ' N ' ' A' ' 52' ' ' GLY . 3.5 tp -107.57 147.48 30.53 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.493 1.121 . . . . 0.0 109.342 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 3.0 p -104.06 115.95 31.35 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.501 1.125 . . . . 0.0 110.021 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.656 HG11 ' HG ' ' A' ' 32' ' ' LEU . 24.1 m -135.61 161.17 39.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.482 1.114 . . . . 0.0 109.307 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.486 ' O ' HG21 ' A' ' 12' ' ' ILE . 1.6 mm? -106.91 179.03 4.38 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.521 1.138 . . . . 0.0 109.356 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.417 ' O ' ' CB ' ' A' ' 29' ' ' ASP . 9.1 tttp -85.34 146.71 26.88 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.5 1.125 . . . . 0.0 109.288 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 29' ' ' ASP . . . . . 0.475 ' HA ' ' CE ' ' A' ' 11' ' ' LYS . 11.0 t0 76.0 10.78 3.12 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.506 1.129 . . . . 0.0 109.307 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -92.51 158.11 16.19 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.521 1.138 . . . . 0.0 110.299 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.426 ' C ' HD22 ' A' ' 32' ' ' LEU . 55.8 t -125.95 111.12 25.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.523 1.14 . . . . 0.0 109.34 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.656 ' HG ' HG11 ' A' ' 26' ' ' VAL . 2.9 mm? -104.11 176.9 5.0 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.49 1.119 . . . . 0.0 109.318 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 33' ' ' GLU . . . . . 0.424 ' O ' ' HA ' ' A' ' 44' ' ' LEU . 17.9 tt0 -108.88 130.42 55.43 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.497 1.123 . . . . 0.0 110.27 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.581 ' HA ' HD12 ' A' ' 44' ' ' LEU . 14.7 p -83.49 129.28 37.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.508 1.13 . . . . 0.0 109.302 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.411 ' N ' HD12 ' A' ' 35' ' ' LEU . 7.1 mp -103.84 -55.85 2.31 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.549 1.156 . . . . 0.0 109.319 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 9.5 mm-40 -122.56 132.19 54.19 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.474 1.109 . . . . 0.0 110.289 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -131.5 172.56 12.07 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.474 1.109 . . . . 0.0 109.309 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 86.65 14.69 64.98 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.489 1.118 . . . . 0.0 111.032 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -127.06 158.26 37.46 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.484 0.755 . . . . 0.0 110.273 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 17.2 mt-30 -39.03 -60.7 0.84 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.55 1.156 . . . . 0.0 110.296 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 41' ' ' TRP . . . . . 0.568 ' CZ3' ' HD3' ' A' ' 55' ' ' PRO . 11.6 m95 -107.9 137.78 45.29 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.549 1.156 . . . . 0.0 107.995 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 42' ' ' TRP . . . . . 0.618 ' CE3' HD13 ' A' ' 59' ' ' LEU . 33.3 m0 -83.1 160.73 21.83 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 107.955 -1.128 . . . . 0.0 107.955 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 43' ' ' LYS . . . . . 0.571 ' HB2' ' CE1' ' A' ' 53' ' ' TYR . 4.8 tttt -122.96 107.79 12.22 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.513 1.133 . . . . 0.0 109.28 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.703 ' N ' HD22 ' A' ' 44' ' ' LEU . 0.0 OUTLIER -108.28 167.17 10.21 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.487 1.117 . . . . 0.0 109.255 -179.979 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 45' ' ' ARG . . . . . 0.494 ' CG ' ' O ' ' A' ' 50' ' ' GLN . 19.4 ttm180 -138.66 116.95 11.9 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.528 1.143 . . . . 0.0 110.305 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 15.6 t -67.9 168.57 11.45 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.504 1.127 . . . . 0.0 109.998 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.64 -8.17 52.44 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.463 1.102 . . . . 0.0 110.281 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 2.5 p -85.0 7.68 20.47 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.442 1.089 . . . . 0.0 110.013 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 78.35 6.27 87.83 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.514 1.134 . . . . 0.0 111.004 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 50' ' ' GLN . . . . . 0.494 ' O ' ' CG ' ' A' ' 45' ' ' ARG . 0.2 OUTLIER -83.41 152.51 24.99 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.535 0.785 . . . . 0.0 110.283 -179.988 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -146.28 129.79 16.89 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.537 1.148 . . . . 0.0 109.251 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 52' ' ' GLY . . . . . 0.49 ' N ' HD13 ' A' ' 24' ' ' LEU . . . -150.23 174.74 29.56 Favored Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.5 1.125 . . . . 0.0 110.996 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 53' ' ' TYR . . . . . 0.571 ' CE1' ' HB2' ' A' ' 43' ' ' LYS . 38.4 m-85 -108.12 143.84 36.33 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.539 0.788 . . . . 0.0 110.991 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.65 HG12 ' CE2' ' A' ' 16' ' ' PHE . 0.0 OUTLIER -146.35 163.97 27.12 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.49 1.119 . . . . 0.0 109.339 179.983 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 55' ' ' PRO . . . . . 0.568 ' HD3' ' CZ3' ' A' ' 41' ' ' TRP . 18.4 Cg_endo -74.99 143.25 28.89 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.502 1.791 . . . . 0.0 111.016 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 56' ' ' CYS . . . . . 0.53 ' HA ' HD12 ' A' ' 59' ' ' LEU . 30.3 p -79.67 -2.31 42.21 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.463 1.102 . . . . 0.0 108.266 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 1.6 m-20 -68.18 -37.48 81.01 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.47 1.106 . . . . 0.0 109.298 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 7.7 pt -88.27 -24.08 6.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.452 1.095 . . . . 0.0 109.324 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.618 HD13 ' CE3' ' A' ' 42' ' ' TRP . 70.1 mt -71.22 155.96 40.1 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.554 1.159 . . . . 0.0 109.281 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.995 0 O-C-N 124.494 1.122 . . . . 0.0 111.026 -179.961 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.989 0 N-CA-C 110.986 -0.846 . . . . 0.0 110.986 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 24.4 p -63.64 136.54 57.58 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.466 0.745 . . . . 0.0 110.024 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 5.6 t -92.99 -56.49 2.96 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.526 1.141 . . . . 0.0 109.975 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -117.82 148.12 18.66 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.512 1.132 . . . . 0.0 111.01 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 96.9 p -110.49 -18.9 13.11 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.452 0.736 . . . . 0.0 110.005 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 93.8 p -129.03 103.25 6.89 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.53 1.144 . . . . 0.0 109.971 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -122.37 -130.52 3.73 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.468 1.105 . . . . 0.0 111.01 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -132.47 169.83 16.0 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.532 0.783 . . . . 0.0 109.305 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 82.7 m-85 -145.98 169.82 17.87 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.532 1.145 . . . . 0.0 110.968 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.494 HG23 ' O ' ' A' ' 60' ' ' GLY . 7.0 p -131.14 137.6 55.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.512 1.132 . . . . 0.0 109.296 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -104.22 109.59 21.47 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.498 1.124 . . . . 0.0 109.304 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 50.8 mm -52.42 138.25 11.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.457 1.098 . . . . 0.0 109.249 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 87.3 mt -103.09 -36.96 7.95 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.469 1.106 . . . . 0.0 109.326 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 57.7 m-85 -127.12 135.61 50.97 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.465 1.103 . . . . 0.0 110.997 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 1.5 p-10 -63.74 121.23 13.47 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.494 1.121 . . . . 0.0 109.263 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' PHE . . . . . 0.409 ' CE2' HG12 ' A' ' 54' ' ' VAL . 69.0 t80 -114.29 140.46 48.58 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.52 1.138 . . . . 0.0 111.0 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 30.8 m -112.12 96.36 5.99 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.51 1.131 . . . . 0.0 110.426 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.687 ' HB2' ' C ' ' A' ' 24' ' ' LEU . . . -40.8 116.13 0.67 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.497 1.123 . . . . 0.0 109.295 -179.944 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 14.2 mmm180 -70.98 -31.03 67.45 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.472 1.107 . . . . 0.0 110.302 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 40.9 m-80 -140.19 -176.15 4.5 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.467 1.104 . . . . 0.0 109.301 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -65.84 -49.5 67.94 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.504 1.127 . . . . 0.0 109.256 -179.918 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 1.9 p30 -46.13 -30.64 2.0 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.456 1.098 . . . . 0.0 109.309 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 29.3 mt-10 -91.86 153.24 19.67 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.518 1.136 . . . . 0.0 110.306 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.687 ' C ' ' HB2' ' A' ' 18' ' ' ALA . 8.4 tp -109.43 138.26 46.05 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.54 1.15 . . . . 0.0 109.308 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 4.0 p -94.31 118.38 31.51 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.504 1.127 . . . . 0.0 109.99 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 34.5 m -128.86 175.16 10.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.497 1.123 . . . . 0.0 109.286 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 17.9 mt -125.93 178.89 5.47 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.441 1.088 . . . . 0.0 109.282 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.407 ' HG2' ' N ' ' A' ' 29' ' ' ASP . 1.4 tttt -82.69 141.49 32.4 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.529 1.143 . . . . 0.0 109.266 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 29' ' ' ASP . . . . . 0.407 ' N ' ' HG2' ' A' ' 28' ' ' LYS . 0.2 OUTLIER 73.21 26.3 2.13 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.548 1.155 . . . . 0.0 109.34 -179.993 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 8.7 mt-10 -105.23 158.48 16.57 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.471 1.107 . . . . 0.0 110.266 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 69.3 t -131.79 115.71 28.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.472 1.108 . . . . 0.0 109.306 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.591 HD22 ' N ' ' A' ' 32' ' ' LEU . 2.1 mm? -105.78 179.11 4.37 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.494 1.121 . . . . 0.0 109.32 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 4.8 tt0 -107.08 112.81 25.91 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.519 1.137 . . . . 0.0 110.312 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.464 ' HA ' HD13 ' A' ' 44' ' ' LEU . 9.9 p -71.98 131.84 34.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.528 1.142 . . . . 0.0 109.339 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.648 HD11 ' HB2' ' A' ' 45' ' ' ARG . 4.2 mt -115.62 -44.84 2.93 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.525 1.14 . . . . 0.0 109.318 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -121.5 123.91 43.17 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.448 1.093 . . . . 0.0 110.313 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -129.03 176.64 7.73 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.459 1.1 . . . . 0.0 109.292 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 68.99 19.17 73.45 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.537 1.148 . . . . 0.0 110.953 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -127.9 163.43 24.46 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.531 0.783 . . . . 0.0 110.287 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 3.8 mt-30 -38.82 -68.41 0.16 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.456 1.097 . . . . 0.0 110.299 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' TRP . . . . . 0.569 ' CZ3' ' HD3' ' A' ' 55' ' ' PRO . 11.3 m0 -111.73 137.83 49.11 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.537 1.148 . . . . 0.0 107.999 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 42' ' ' TRP . . . . . 0.84 ' CE3' HD13 ' A' ' 59' ' ' LEU . 46.6 m0 -83.38 157.72 22.41 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.478 1.111 . . . . 0.0 108.01 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 0.569 ' HB2' ' CE1' ' A' ' 53' ' ' TYR . 9.5 tttp -116.07 99.88 7.56 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.504 1.128 . . . . 0.0 109.322 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.762 HD23 ' CG2' ' A' ' 54' ' ' VAL . 0.3 OUTLIER -95.74 167.04 11.52 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.485 1.116 . . . . 0.0 109.354 -179.988 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 45' ' ' ARG . . . . . 0.648 ' HB2' HD11 ' A' ' 35' ' ' LEU . 8.1 ttp180 -137.5 122.82 19.41 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.467 1.105 . . . . 0.0 110.321 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 46' ' ' SER . . . . . 0.457 ' HA ' HD12 ' A' ' 32' ' ' LEU . 9.7 t -73.32 168.91 18.22 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.546 1.154 . . . . 0.0 110.045 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 5.8 mmt85 -71.71 -16.87 62.24 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.494 1.121 . . . . 0.0 110.326 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 44.1 m -69.42 -23.53 63.71 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.488 1.118 . . . . 0.0 110.054 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 106.96 17.34 11.87 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.494 1.121 . . . . 0.0 110.943 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' GLN . . . . . 0.409 ' O ' ' HA ' ' A' ' 45' ' ' ARG . 1.7 mp0 -99.68 152.52 19.98 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.488 0.758 . . . . 0.0 110.249 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 51' ' ' ALA . . . . . 0.531 ' C ' HD13 ' A' ' 24' ' ' LEU . . . -140.2 131.26 26.28 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.484 1.115 . . . . 0.0 109.262 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 52' ' ' GLY . . . . . 0.681 ' N ' HD13 ' A' ' 24' ' ' LEU . . . -150.15 175.95 29.0 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.507 1.129 . . . . 0.0 111.011 179.937 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 53' ' ' TYR . . . . . 0.569 ' CE1' ' HB2' ' A' ' 43' ' ' LYS . 43.2 m-85 -105.22 143.08 33.89 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.496 0.762 . . . . 0.0 111.005 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.762 ' CG2' HD23 ' A' ' 44' ' ' LEU . 0.0 OUTLIER -144.57 164.06 30.42 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.503 1.127 . . . . 0.0 109.275 -179.976 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 55' ' ' PRO . . . . . 0.569 ' HD3' ' CZ3' ' A' ' 41' ' ' TRP . 18.3 Cg_endo -74.97 142.46 27.98 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.537 1.809 . . . . 0.0 110.993 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 56' ' ' CYS . . . . . 0.476 ' HA ' HD12 ' A' ' 59' ' ' LEU . 24.4 p -79.37 -4.45 51.05 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.505 1.128 . . . . 0.0 108.251 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 2.1 t30 -66.36 -38.28 87.23 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.539 1.15 . . . . 0.0 109.292 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 13.5 pt -87.5 -23.68 6.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.55 1.156 . . . . 0.0 109.363 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.84 HD13 ' CE3' ' A' ' 42' ' ' TRP . 84.4 mt -64.48 163.03 14.12 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.522 1.139 . . . . 0.0 109.282 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 60' ' ' GLY . . . . . 0.494 ' O ' HG23 ' A' ' 10' ' ' VAL . . . -163.33 153.42 23.9 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.439 1.087 . . . . 0.0 111.04 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -64.45 129.96 41.88 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.497 0.763 . . . . 0.0 110.297 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -104.22 126.62 51.48 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.554 1.159 . . . . 0.0 109.303 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 93.7 p -143.17 160.21 40.86 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.493 1.12 . . . . 0.0 109.998 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -118.37 163.55 13.01 Favored Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.52 1.138 . . . . 0.0 111.037 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 -53.57 0.1 OUTLIER 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.497 1.788 . . . . 0.0 110.99 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 7.6 m -125.2 94.97 4.32 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.528 1.142 . . . . 0.0 109.998 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 13.8 p -170.96 99.21 0.22 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.511 1.132 . . . . 0.0 109.982 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.998 0 O-C-N 124.5 1.125 . . . . 0.0 110.999 179.978 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.957 0 N-CA-C 110.98 -0.848 . . . . 0.0 110.98 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 78.9 p -169.34 148.99 3.98 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.444 0.732 . . . . 0.0 109.993 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.6 t 74.63 -58.8 0.57 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.449 1.093 . . . . 0.0 110.032 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -108.05 80.52 0.27 Allowed Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.492 1.12 . . . . 0.0 110.979 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 42.3 t -147.16 123.43 10.9 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.519 0.776 . . . . 0.0 110.017 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 23.8 p -177.6 162.02 1.76 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.471 1.107 . . . . 0.0 109.968 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 171.49 146.13 5.13 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.503 1.127 . . . . 0.0 111.019 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.29 162.0 24.8 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.479 0.752 . . . . 0.0 109.322 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 9' ' ' TYR . . . . . 0.414 ' O ' ' HB3' ' A' ' 62' ' ' ALA . 48.4 m-85 -138.08 158.56 44.07 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.516 1.135 . . . . 0.0 111.005 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.493 HG21 HD22 ' A' ' 59' ' ' LEU . 7.1 p -124.99 141.79 43.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.485 1.116 . . . . 0.0 109.314 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 9.3 tttt -107.43 121.76 45.26 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.527 1.142 . . . . 0.0 109.287 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.698 HD11 HD23 ' A' ' 32' ' ' LEU . 25.3 mm -66.83 120.67 14.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.502 1.126 . . . . 0.0 109.291 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 95.9 mt -84.19 -25.45 29.53 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.523 1.14 . . . . 0.0 109.298 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' TYR . . . . . 0.482 ' O ' ' CG2' ' A' ' 12' ' ' ILE . 74.1 m-85 -143.53 144.27 31.89 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.519 1.137 . . . . 0.0 111.034 179.943 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 15' ' ' ASP . . . . . 0.422 ' HB2' HD23 ' A' ' 27' ' ' LEU . 5.5 p30 -67.37 130.81 44.25 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.495 1.122 . . . . 0.0 109.281 -179.934 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 16' ' ' PHE . . . . . 0.522 ' CE2' HG12 ' A' ' 54' ' ' VAL . 76.4 t80 -127.2 143.34 51.27 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.51 1.131 . . . . 0.0 111.0 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.402 ' O ' ' C ' ' A' ' 18' ' ' ALA . 24.2 m -119.12 111.26 18.04 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.487 1.117 . . . . 0.0 110.39 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.402 ' C ' ' O ' ' A' ' 17' ' ' THR . . . -40.42 114.87 0.5 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.525 1.141 . . . . 0.0 109.325 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 28.0 mmt-85 -90.46 -19.33 24.0 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.542 1.151 . . . . 0.0 110.32 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -125.32 -173.83 2.91 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.121 . . . . 0.0 109.316 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -86.39 -27.27 24.31 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.467 1.104 . . . . 0.0 109.289 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 14.7 m-80 -93.87 40.99 1.08 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.456 1.098 . . . . 0.0 109.355 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 23.3 mt-10 -140.85 160.87 39.12 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.488 1.117 . . . . 0.0 110.336 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.484 HD23 HG13 ' A' ' 26' ' ' VAL . 2.0 tp -115.26 151.72 34.01 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.497 1.123 . . . . 0.0 109.298 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 4.9 p -108.63 118.04 35.74 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.554 1.159 . . . . 0.0 110.0 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.484 HG13 HD23 ' A' ' 24' ' ' LEU . 15.8 m -133.41 167.05 27.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.442 1.089 . . . . 0.0 109.3 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.422 HD23 ' HB2' ' A' ' 15' ' ' ASP . 27.4 mt -117.52 179.12 4.15 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.463 1.102 . . . . 0.0 109.267 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.438 ' O ' ' CB ' ' A' ' 29' ' ' ASP . 2.8 tttt -80.13 141.03 36.14 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.495 1.122 . . . . 0.0 109.293 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 29' ' ' ASP . . . . . 0.438 ' CB ' ' O ' ' A' ' 28' ' ' LYS . 12.0 t0 77.07 28.61 0.63 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.531 1.144 . . . . 0.0 109.339 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 14.2 mt-10 -109.65 162.19 14.66 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.523 1.139 . . . . 0.0 110.297 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.414 ' C ' HD22 ' A' ' 32' ' ' LEU . 69.8 t -134.02 125.81 49.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.531 1.144 . . . . 0.0 109.315 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.698 HD23 HD11 ' A' ' 12' ' ' ILE . 2.3 mm? -115.43 178.45 4.29 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.122 . . . . 0.0 109.339 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 33' ' ' GLU . . . . . 0.466 ' HG2' ' CD2' ' A' ' 35' ' ' LEU . 3.5 tt0 -109.47 102.62 11.47 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.482 1.114 . . . . 0.0 110.306 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 12.5 p -71.24 125.36 29.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.484 1.115 . . . . 0.0 109.278 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.466 ' CD2' ' HG2' ' A' ' 33' ' ' GLU . 0.3 OUTLIER -108.03 -42.95 4.53 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.488 1.117 . . . . 0.0 109.268 -179.977 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -118.41 127.2 53.45 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.517 1.136 . . . . 0.0 110.284 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 6.0 p-10 -137.85 174.8 10.19 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.486 1.116 . . . . 0.0 109.326 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 95.5 -12.17 67.97 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.482 1.114 . . . . 0.0 111.003 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -108.77 161.76 14.81 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.539 0.788 . . . . 0.0 110.293 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 7.6 tt0 -43.34 -65.88 0.44 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.487 1.117 . . . . 0.0 110.261 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' TRP . . . . . 0.555 ' CE3' ' C ' ' A' ' 54' ' ' VAL . 22.4 m95 -96.34 133.85 40.21 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.511 1.132 . . . . 0.0 108.034 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 42' ' ' TRP . . . . . 0.758 ' CE3' HD13 ' A' ' 59' ' ' LEU . 31.6 m0 -94.49 164.48 12.97 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.49 1.119 . . . . 0.0 107.999 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 0.409 ' HB2' ' CE1' ' A' ' 53' ' ' TYR . 14.9 tttt -116.42 99.72 7.38 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.504 1.128 . . . . 0.0 109.345 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.758 HD23 ' CG2' ' A' ' 54' ' ' VAL . 0.4 OUTLIER -94.78 167.16 11.61 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.53 1.144 . . . . 0.0 109.307 -179.993 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 60.2 ttp85 -144.29 114.55 7.48 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.497 1.123 . . . . 0.0 110.275 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -72.38 160.48 32.27 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.535 1.147 . . . . 0.0 110.017 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.26 -18.3 25.62 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.497 1.123 . . . . 0.0 110.315 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 1.3 m -70.19 -6.94 37.96 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.535 1.147 . . . . 0.0 109.999 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 91.9 -16.74 58.71 Favored Glycine 0 CA--C 1.529 0.935 0 O-C-N 124.501 1.126 . . . . 0.0 110.974 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 1.6 mp0 -65.02 153.08 41.77 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.44 0.729 . . . . 0.0 110.318 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -145.65 129.31 17.12 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.546 1.154 . . . . 0.0 109.266 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 52' ' ' GLY . . . . . 0.413 ' CA ' ' HB2' ' A' ' 24' ' ' LEU . . . -150.24 165.95 29.96 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.47 1.106 . . . . 0.0 110.99 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 53' ' ' TYR . . . . . 0.409 ' CE1' ' HB2' ' A' ' 43' ' ' LYS . 47.9 m-85 -93.96 147.71 22.84 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.49 0.759 . . . . 0.0 111.009 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.758 ' CG2' HD23 ' A' ' 44' ' ' LEU . 0.0 OUTLIER -148.39 166.33 15.87 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.469 1.105 . . . . 0.0 109.298 179.978 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 143.21 28.87 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.501 1.79 . . . . 0.0 110.988 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 56' ' ' CYS . . . . . 0.478 ' HA ' HD12 ' A' ' 59' ' ' LEU . 14.4 p -79.36 -2.0 39.59 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.518 1.136 . . . . 0.0 108.34 179.953 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 4.2 m120 -70.02 -34.19 72.96 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.476 1.11 . . . . 0.0 109.335 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 16.8 pt -92.45 -19.3 6.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.505 1.128 . . . . 0.0 109.28 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.758 HD13 ' CE3' ' A' ' 42' ' ' TRP . 98.1 mt -71.4 154.29 41.66 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.528 1.143 . . . . 0.0 109.276 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -146.86 133.69 4.92 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.465 1.103 . . . . 0.0 111.033 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -60.81 108.85 0.91 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.502 0.766 . . . . 0.0 110.288 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 62' ' ' ALA . . . . . 0.414 ' HB3' ' O ' ' A' ' 9' ' ' TYR . . . -98.39 118.09 34.28 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.519 1.137 . . . . 0.0 109.294 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 53.7 p -51.27 157.07 1.02 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.464 1.102 . . . . 0.0 110.003 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -99.42 160.07 19.82 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.54 1.15 . . . . 0.0 110.986 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 156.0 42.97 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.488 1.783 . . . . 0.0 110.994 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -177.08 87.61 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.485 1.115 . . . . 0.0 110.015 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 22.1 t -149.87 108.72 3.87 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.527 1.142 . . . . 0.0 110.031 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.034 0 O-C-N 124.484 1.115 . . . . 0.0 110.984 -179.998 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.004 0 N-CA-C 111.044 -0.822 . . . . 0.0 111.044 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -156.86 -58.89 0.09 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.524 0.779 . . . . 0.0 109.97 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -145.87 103.9 3.8 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.502 1.126 . . . . 0.0 110.035 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -171.47 72.43 0.11 Allowed Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.487 1.117 . . . . 0.0 110.951 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.8 t -175.17 139.28 0.46 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.561 0.8 . . . . 0.0 109.968 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 74.7 -59.1 0.56 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.561 1.163 . . . . 0.0 109.972 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -37.78 148.24 0.08 OUTLIER Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.505 1.128 . . . . 0.0 111.022 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -128.78 167.6 17.08 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.506 0.768 . . . . 0.0 109.292 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 9' ' ' TYR . . . . . 0.471 ' CE1' ' HG3' ' A' ' 33' ' ' GLU . 89.5 m-85 -146.41 167.4 23.7 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.473 1.108 . . . . 0.0 111.009 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.678 HG21 ' HB3' ' A' ' 59' ' ' LEU . 9.4 p -134.76 139.02 48.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.53 1.144 . . . . 0.0 109.299 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.457 ' CE ' ' HA ' ' A' ' 29' ' ' ASP . 5.5 tttt -99.38 122.68 42.85 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.477 1.111 . . . . 0.0 109.327 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 48.1 mm -67.86 123.14 20.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.531 1.145 . . . . 0.0 109.286 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 88.3 mt -88.21 -28.29 21.25 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.464 1.103 . . . . 0.0 109.311 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 74.3 m-85 -138.85 138.07 37.15 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.461 1.101 . . . . 0.0 110.986 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -63.42 121.18 13.17 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.54 1.15 . . . . 0.0 109.352 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 16' ' ' PHE . . . . . 0.627 ' CE2' HG12 ' A' ' 54' ' ' VAL . 56.8 t80 -121.08 141.42 50.8 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.499 1.125 . . . . 0.0 111.017 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.4 ' O ' ' C ' ' A' ' 18' ' ' ALA . 20.6 m -122.31 114.98 21.53 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.539 1.149 . . . . 0.0 110.366 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.4 ' C ' ' O ' ' A' ' 17' ' ' THR . . . -40.28 115.11 0.51 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.527 1.142 . . . . 0.0 109.288 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 15.8 mmt85 -88.6 -15.87 33.97 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.492 1.12 . . . . 0.0 110.296 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -132.99 -173.16 3.11 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.53 1.143 . . . . 0.0 109.297 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -81.17 -28.89 34.83 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.49 1.119 . . . . 0.0 109.29 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 3.4 m120 -93.7 41.39 1.08 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.558 1.161 . . . . 0.0 109.259 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 15.9 mt-10 -143.68 150.81 39.24 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.51 1.131 . . . . 0.0 110.334 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.541 HD13 ' N ' ' A' ' 52' ' ' GLY . 5.5 tp -111.29 138.93 47.14 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.439 1.087 . . . . 0.0 109.299 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 11.1 m -97.56 123.32 41.39 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.481 1.113 . . . . 0.0 110.015 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.513 HG11 ' HG ' ' A' ' 32' ' ' LEU . 27.5 m -132.85 172.24 16.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.507 1.129 . . . . 0.0 109.294 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 4.6 mt -119.87 179.09 4.36 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.493 1.121 . . . . 0.0 109.285 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.43 ' O ' ' CB ' ' A' ' 29' ' ' ASP . 13.3 tttm -82.67 141.81 32.18 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.464 1.102 . . . . 0.0 109.302 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 29' ' ' ASP . . . . . 0.457 ' HA ' ' CE ' ' A' ' 11' ' ' LYS . 2.2 m-20 77.0 9.21 2.8 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.505 1.128 . . . . 0.0 109.355 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 4.2 mt-10 -96.84 149.36 21.94 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.487 1.117 . . . . 0.0 110.31 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.489 ' C ' HD22 ' A' ' 32' ' ' LEU . 75.8 t -122.49 127.86 75.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.544 1.153 . . . . 0.0 109.27 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.518 HD22 ' N ' ' A' ' 32' ' ' LEU . 2.7 mm? -110.71 177.53 4.65 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.422 1.076 . . . . 0.0 109.321 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 33' ' ' GLU . . . . . 0.471 ' HG3' ' CE1' ' A' ' 9' ' ' TYR . 2.7 tt0 -102.9 114.8 29.38 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.465 1.103 . . . . 0.0 110.288 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 10.1 p -80.33 129.66 37.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.472 1.107 . . . . 0.0 109.289 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.483 HD11 ' HB2' ' A' ' 45' ' ' ARG . 0.2 OUTLIER -116.56 -44.91 2.83 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.538 1.149 . . . . 0.0 109.288 -179.999 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -119.58 124.93 47.58 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.478 1.111 . . . . 0.0 110.34 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 1.7 p-10 -136.62 177.08 8.13 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.53 1.144 . . . . 0.0 109.281 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 77.62 16.01 80.68 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.549 1.156 . . . . 0.0 111.001 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -128.0 166.06 19.09 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.488 0.758 . . . . 0.0 110.271 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -38.82 -67.77 0.19 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.518 1.136 . . . . 0.0 110.299 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 41' ' ' TRP . . . . . 0.533 ' CZ3' ' HD3' ' A' ' 55' ' ' PRO . 11.2 m0 -111.02 138.64 47.18 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.491 1.119 . . . . 0.0 107.999 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 42' ' ' TRP . . . . . 0.587 ' CE3' HD13 ' A' ' 59' ' ' LEU . 46.6 m0 -83.41 158.95 21.91 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.522 1.139 . . . . 0.0 107.97 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 0.567 ' HB2' ' CE1' ' A' ' 53' ' ' TYR . 2.9 tttt -116.71 99.96 7.49 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.457 1.098 . . . . 0.0 109.321 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.776 HD23 ' CG2' ' A' ' 54' ' ' VAL . 0.2 OUTLIER -98.28 166.2 11.5 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.519 1.137 . . . . 0.0 109.257 -179.956 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 45' ' ' ARG . . . . . 0.483 ' HB2' HD11 ' A' ' 35' ' ' LEU . 24.5 ttp180 -134.32 126.63 30.11 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.552 1.158 . . . . 0.0 110.269 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 46' ' ' SER . . . . . 0.43 ' HA ' HD12 ' A' ' 32' ' ' LEU . 9.6 p -75.0 169.82 17.24 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.522 1.139 . . . . 0.0 110.001 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.89 -4.82 37.29 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.529 1.143 . . . . 0.0 110.306 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -92.91 15.64 14.41 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.528 1.142 . . . . 0.0 110.042 179.946 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 71.23 13.94 73.71 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.475 1.109 . . . . 0.0 110.997 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 50' ' ' GLN . . . . . 0.443 ' O ' ' CG ' ' A' ' 45' ' ' ARG . 84.8 mm-40 -91.02 151.6 20.98 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.488 0.757 . . . . 0.0 110.322 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 51' ' ' ALA . . . . . 0.447 ' C ' HD13 ' A' ' 24' ' ' LEU . . . -141.92 130.58 22.74 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.533 1.146 . . . . 0.0 109.308 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 52' ' ' GLY . . . . . 0.541 ' N ' HD13 ' A' ' 24' ' ' LEU . . . -150.04 168.1 30.07 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.506 1.129 . . . . 0.0 111.039 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 53' ' ' TYR . . . . . 0.567 ' CE1' ' HB2' ' A' ' 43' ' ' LYS . 46.5 m-85 -100.05 144.94 28.5 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.519 0.776 . . . . 0.0 111.045 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.776 ' CG2' HD23 ' A' ' 44' ' ' LEU . 0.0 OUTLIER -147.78 165.1 19.52 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.51 1.131 . . . . 0.0 109.303 -179.952 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 55' ' ' PRO . . . . . 0.533 ' HD3' ' CZ3' ' A' ' 41' ' ' TRP . 18.2 Cg_endo -74.96 139.65 24.65 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.512 1.796 . . . . 0.0 111.047 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 56' ' ' CYS . . . . . 0.675 ' HA ' HD12 ' A' ' 59' ' ' LEU . 31.2 p -77.02 -5.48 48.91 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.473 1.108 . . . . 0.0 108.318 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 2.6 m120 -64.19 -45.52 87.95 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.468 1.105 . . . . 0.0 109.289 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 10.3 pt -79.31 -26.17 12.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.54 1.15 . . . . 0.0 109.329 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.678 ' HB3' HG21 ' A' ' 10' ' ' VAL . 73.8 mt -67.94 156.02 38.17 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.473 1.108 . . . . 0.0 109.297 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 60' ' ' GLY . . . . . 0.583 ' O ' HG23 ' A' ' 10' ' ' VAL . . . -134.61 -158.68 8.52 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.466 1.104 . . . . 0.0 111.007 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 4.3 mt-10 -119.96 110.72 17.04 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.534 0.785 . . . . 0.0 110.294 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -99.74 145.99 27.05 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.443 1.089 . . . . 0.0 109.37 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -65.56 168.74 7.02 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.533 1.146 . . . . 0.0 110.008 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -177.11 -176.59 45.36 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.509 1.131 . . . . 0.0 110.96 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.92 81.73 2.13 Favored 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.486 1.782 . . . . 0.0 111.027 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -142.13 -58.97 0.46 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.48 1.112 . . . . 0.0 109.988 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -116.25 120.9 40.42 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.478 1.112 . . . . 0.0 110.029 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.021 0 O-C-N 124.496 1.123 . . . . 0.0 110.957 -179.973 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.015 0 N-CA-C 111.008 -0.837 . . . . 0.0 111.008 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -91.8 -58.35 2.44 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.462 0.742 . . . . 0.0 110.011 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.6 m 58.1 80.55 0.17 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.486 1.116 . . . . 0.0 109.991 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 159.32 -64.98 0.29 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.512 1.133 . . . . 0.0 110.958 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -85.85 109.48 18.73 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.514 0.773 . . . . 0.0 110.007 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 75.3 m -98.27 94.28 6.69 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.492 1.12 . . . . 0.0 109.988 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -85.05 122.58 5.97 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.497 1.123 . . . . 0.0 110.988 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 1.2 tttt -110.54 158.47 18.5 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.462 0.742 . . . . 0.0 109.33 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' TYR . . . . . 0.555 ' CE1' ' HG3' ' A' ' 33' ' ' GLU . 85.1 m-85 -137.49 161.64 35.84 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.526 1.142 . . . . 0.0 110.98 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.469 HG21 HD22 ' A' ' 59' ' ' LEU . 9.8 p -129.52 138.91 53.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.526 1.141 . . . . 0.0 109.265 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.46 ' HG3' ' CG2' ' A' ' 31' ' ' VAL . 0.5 OUTLIER -103.35 113.11 26.34 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.466 1.104 . . . . 0.0 109.3 179.96 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.408 ' CG2' ' O ' ' A' ' 14' ' ' TYR . 45.7 mm -58.42 121.14 5.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.508 1.13 . . . . 0.0 109.295 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 88.8 mt -84.83 -23.19 29.17 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.496 1.123 . . . . 0.0 109.297 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' TYR . . . . . 0.408 ' O ' ' CG2' ' A' ' 12' ' ' ILE . 81.2 m-85 -149.84 141.66 23.72 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.509 1.131 . . . . 0.0 110.998 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 15' ' ' ASP . . . . . 0.475 ' CB ' HD23 ' A' ' 27' ' ' LEU . 2.3 p30 -62.27 138.67 58.47 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.486 1.116 . . . . 0.0 109.288 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 16' ' ' PHE . . . . . 0.642 ' CE2' HG12 ' A' ' 54' ' ' VAL . 90.6 t80 -132.51 143.77 49.98 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.446 1.091 . . . . 0.0 111.038 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 18.8 m -113.63 111.16 21.39 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.466 1.104 . . . . 0.0 110.406 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.473 ' HB2' ' C ' ' A' ' 24' ' ' LEU . . . -56.33 113.58 1.63 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.464 1.102 . . . . 0.0 109.326 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 26.3 mmm-85 -79.25 -17.29 55.02 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.501 1.126 . . . . 0.0 110.324 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 23.7 m-80 -134.75 178.94 6.62 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.46 1.1 . . . . 0.0 109.301 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -78.39 -36.94 45.17 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.497 1.123 . . . . 0.0 109.318 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 2.7 m-20 -64.02 -14.43 54.13 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.559 1.162 . . . . 0.0 109.345 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -97.73 158.89 15.26 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.475 1.11 . . . . 0.0 110.305 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.497 HD13 ' N ' ' A' ' 52' ' ' GLY . 4.9 tp -115.87 140.63 49.04 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.499 1.124 . . . . 0.0 109.282 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -98.8 124.02 43.42 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.545 1.153 . . . . 0.0 110.041 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.615 HG11 ' HG ' ' A' ' 32' ' ' LEU . 15.8 m -137.53 171.88 15.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.523 1.139 . . . . 0.0 109.309 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.475 HD23 ' CB ' ' A' ' 15' ' ' ASP . 6.3 mt -120.88 179.18 4.44 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.516 1.135 . . . . 0.0 109.319 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.466 ' O ' ' CB ' ' A' ' 29' ' ' ASP . 7.4 tttt -82.49 144.13 30.64 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.561 1.163 . . . . 0.0 109.261 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 29' ' ' ASP . . . . . 0.466 ' CB ' ' O ' ' A' ' 28' ' ' LYS . 2.5 m-20 79.0 3.79 2.39 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.538 1.149 . . . . 0.0 109.298 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -93.9 153.13 18.4 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.466 1.104 . . . . 0.0 110.309 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.46 ' CG2' ' HG3' ' A' ' 11' ' ' LYS . 56.5 t -126.01 128.43 71.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.548 1.155 . . . . 0.0 109.285 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.615 ' HG ' HG11 ' A' ' 26' ' ' VAL . 2.9 mm? -112.53 175.93 5.23 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.504 1.127 . . . . 0.0 109.289 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 33' ' ' GLU . . . . . 0.555 ' HG3' ' CE1' ' A' ' 9' ' ' TYR . 2.8 tt0 -103.17 110.76 22.83 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.516 1.135 . . . . 0.0 110.317 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.703 ' HA ' HD13 ' A' ' 44' ' ' LEU . 6.5 p -75.96 131.2 35.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.534 1.146 . . . . 0.0 109.299 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.64 HD11 ' HB2' ' A' ' 45' ' ' ARG . 1.6 mt -113.86 -43.32 3.28 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.498 1.124 . . . . 0.0 109.302 -179.949 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -123.93 128.5 49.52 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.464 1.103 . . . . 0.0 110.293 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 1.6 p-10 -137.61 172.09 13.48 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.519 1.137 . . . . 0.0 109.309 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 91.39 11.67 60.68 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.504 1.128 . . . . 0.0 111.04 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' ARG . . . . . 0.401 ' O ' ' C ' ' A' ' 40' ' ' GLN . 22.4 ttp85 -127.93 163.78 23.73 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.486 0.756 . . . . 0.0 110.289 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 40' ' ' GLN . . . . . 0.401 ' C ' ' O ' ' A' ' 39' ' ' ARG . 4.2 mt-30 -38.85 -62.11 0.66 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.535 1.147 . . . . 0.0 110.282 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 41' ' ' TRP . . . . . 0.557 ' CZ3' ' HD3' ' A' ' 55' ' ' PRO . 11.2 m0 -112.71 135.54 53.33 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.525 1.141 . . . . 0.0 107.973 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 42' ' ' TRP . . . . . 0.657 ' CE3' HD13 ' A' ' 59' ' ' LEU . 36.1 m0 -84.99 162.85 19.21 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 108.002 -1.11 . . . . 0.0 108.002 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 0.402 ' HB2' ' CE1' ' A' ' 53' ' ' TYR . 24.0 tttt -113.93 100.04 8.12 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.539 1.149 . . . . 0.0 109.304 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.752 ' N ' HD22 ' A' ' 44' ' ' LEU . 0.5 OUTLIER -96.68 166.82 11.48 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.537 1.148 . . . . 0.0 109.305 -179.983 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 45' ' ' ARG . . . . . 0.64 ' HB2' HD11 ' A' ' 35' ' ' LEU . 14.9 ttp180 -135.02 130.88 36.39 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.505 1.128 . . . . 0.0 110.291 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 55.4 p -75.02 169.73 17.42 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.498 1.124 . . . . 0.0 110.021 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.44 -5.84 39.45 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.501 1.126 . . . . 0.0 110.318 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 3.9 m -91.04 -2.59 57.63 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.507 1.129 . . . . 0.0 109.993 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 95.16 -7.76 69.55 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.486 1.116 . . . . 0.0 111.0 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 50' ' ' GLN . . . . . 0.499 ' O ' ' CG ' ' A' ' 45' ' ' ARG . 0.6 OUTLIER -69.38 154.15 42.47 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.539 0.788 . . . . 0.0 110.338 179.989 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -143.83 129.96 19.67 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.455 1.097 . . . . 0.0 109.36 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 52' ' ' GLY . . . . . 0.497 ' N ' HD13 ' A' ' 24' ' ' LEU . . . -150.0 161.3 28.84 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.483 1.115 . . . . 0.0 110.982 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 53' ' ' TYR . . . . . 0.402 ' CE1' ' HB2' ' A' ' 43' ' ' LYS . 54.4 m-85 -89.23 152.11 21.77 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.511 0.771 . . . . 0.0 111.026 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.732 ' CG2' HD23 ' A' ' 44' ' ' LEU . 0.0 OUTLIER -151.38 162.39 26.9 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.523 1.139 . . . . 0.0 109.295 -179.983 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 55' ' ' PRO . . . . . 0.557 ' HD3' ' CZ3' ' A' ' 41' ' ' TRP . 18.2 Cg_endo -75.05 143.88 29.41 Favored 'Trans proline' 0 C--N 1.361 1.202 0 O-C-N 124.49 1.784 . . . . 0.0 110.992 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 56' ' ' CYS . . . . . 0.419 ' HA ' HD12 ' A' ' 59' ' ' LEU . 26.3 p -81.95 1.2 36.47 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.5 1.125 . . . . 0.0 108.301 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 27.3 t-20 -71.77 -21.65 61.7 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.467 1.104 . . . . 0.0 109.278 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 8.0 pt -108.09 -15.54 9.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.441 1.088 . . . . 0.0 109.321 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.657 HD13 ' CE3' ' A' ' 42' ' ' TRP . 94.6 mt -71.22 154.44 41.67 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.516 1.135 . . . . 0.0 109.314 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -149.65 135.49 5.33 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.514 1.134 . . . . 0.0 111.009 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 4.6 mt-10 -61.0 113.65 2.66 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.514 0.773 . . . . 0.0 110.269 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -98.49 160.38 14.32 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.488 1.118 . . . . 0.0 109.331 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -66.74 154.05 41.71 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.555 1.16 . . . . 0.0 110.019 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -87.53 168.17 37.88 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.496 1.123 . . . . 0.0 111.024 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 76.07 3.52 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.458 1.767 . . . . 0.0 110.967 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -62.55 -58.32 7.97 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.502 1.127 . . . . 0.0 110.011 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 57.3 p -160.21 115.33 2.3 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.475 1.11 . . . . 0.0 110.033 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.017 0 O-C-N 124.523 1.139 . . . . 0.0 110.977 -179.965 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.987 0 N-CA-C 111.002 -0.839 . . . . 0.0 111.002 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 31.1 p -91.74 -57.85 2.61 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.507 0.769 . . . . 0.0 109.965 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.4 t -78.96 145.72 33.84 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.451 1.095 . . . . 0.0 109.978 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 84.74 106.38 0.63 Allowed Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.519 1.137 . . . . 0.0 111.004 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -158.02 106.54 2.02 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.467 0.745 . . . . 0.0 110.022 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 30.8 t 63.1 158.47 0.07 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.51 1.131 . . . . 0.0 109.956 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 170.69 -140.64 6.08 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.495 1.122 . . . . 0.0 110.995 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -86.64 155.68 20.32 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.473 0.749 . . . . 0.0 109.282 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 81.2 m-85 -144.31 171.69 13.97 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.494 1.121 . . . . 0.0 111.003 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.5 HG21 ' HB3' ' A' ' 59' ' ' LEU . 4.7 p -131.45 134.98 60.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.521 1.138 . . . . 0.0 109.29 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -98.82 125.98 44.35 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.504 1.128 . . . . 0.0 109.296 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.478 HG21 ' O ' ' A' ' 27' ' ' LEU . 47.2 mm -71.72 118.54 16.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.503 1.127 . . . . 0.0 109.349 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 72.0 mt -83.2 -21.6 33.41 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.424 1.078 . . . . 0.0 109.316 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' TYR . . . . . 0.444 ' O ' ' CG2' ' A' ' 12' ' ' ILE . 84.0 m-85 -149.44 140.13 22.64 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.442 1.089 . . . . 0.0 110.977 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 2.5 p-10 -66.0 135.49 54.76 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.508 1.13 . . . . 0.0 109.299 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' PHE . . . . . 0.616 ' CD2' HG12 ' A' ' 54' ' ' VAL . 62.3 t80 -126.71 145.42 50.6 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.509 1.13 . . . . 0.0 111.02 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 18.7 m -113.87 99.92 8.04 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.491 1.119 . . . . 0.0 110.376 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.561 ' HB2' ' C ' ' A' ' 24' ' ' LEU . . . -42.33 114.8 0.61 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.448 1.092 . . . . 0.0 109.307 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 19.5 mmm180 -73.51 -30.18 62.95 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.481 1.113 . . . . 0.0 110.312 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 63.8 m-80 -130.15 -176.57 3.98 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.528 1.143 . . . . 0.0 109.342 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -76.32 -41.16 49.4 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.502 1.126 . . . . 0.0 109.295 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 1.3 m120 -56.9 -18.49 13.45 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.485 1.116 . . . . 0.0 109.305 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 63.7 mt-10 -97.4 159.77 14.72 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.454 1.096 . . . . 0.0 110.312 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.561 ' C ' ' HB2' ' A' ' 18' ' ' ALA . 4.6 tp -116.47 139.84 50.01 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.497 1.123 . . . . 0.0 109.275 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -96.33 122.2 38.95 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.538 1.149 . . . . 0.0 110.033 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.518 HG11 ' HG ' ' A' ' 32' ' ' LEU . 16.9 m -133.04 171.76 17.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 O-C-N 124.526 1.141 . . . . 0.0 109.304 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.478 ' O ' HG21 ' A' ' 12' ' ' ILE . 12.5 mt -118.11 179.07 4.2 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.539 1.149 . . . . 0.0 109.295 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.497 ' O ' ' CB ' ' A' ' 29' ' ' ASP . 0.4 OUTLIER -82.79 140.41 33.0 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.493 1.12 . . . . 0.0 109.309 179.971 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 29' ' ' ASP . . . . . 0.497 ' CB ' ' O ' ' A' ' 28' ' ' LYS . 2.1 t70 81.87 -3.67 1.54 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.504 1.127 . . . . 0.0 109.272 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 7.2 mt-10 -82.59 149.79 27.25 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.5 1.125 . . . . 0.0 110.3 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 89.1 t -123.17 125.56 72.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.5 1.125 . . . . 0.0 109.32 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.518 ' HG ' HG11 ' A' ' 26' ' ' VAL . 3.0 mm? -109.93 177.73 4.63 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.46 1.1 . . . . 0.0 109.289 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 33' ' ' GLU . . . . . 0.421 ' HG2' ' CD2' ' A' ' 35' ' ' LEU . 5.3 tt0 -104.89 121.68 44.21 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.462 1.101 . . . . 0.0 110.339 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.676 ' HA ' HD13 ' A' ' 44' ' ' LEU . 10.0 p -78.85 132.45 32.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.511 1.132 . . . . 0.0 109.266 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.795 HD11 ' HB2' ' A' ' 45' ' ' ARG . 0.3 OUTLIER -119.86 -42.41 2.61 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.533 1.146 . . . . 0.0 109.305 179.994 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -129.1 124.04 33.76 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.52 1.137 . . . . 0.0 110.285 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -134.7 174.99 9.96 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.51 1.131 . . . . 0.0 109.28 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 89.12 9.98 66.81 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.51 1.131 . . . . 0.0 110.992 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' ARG . . . . . 0.401 ' O ' ' C ' ' A' ' 40' ' ' GLN . 0.0 OUTLIER -126.65 165.03 19.98 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.504 0.767 . . . . 0.0 110.264 -179.962 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 40' ' ' GLN . . . . . 0.401 ' C ' ' O ' ' A' ' 39' ' ' ARG . 0.1 OUTLIER -38.93 -68.85 0.14 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.443 1.089 . . . . 0.0 110.229 179.99 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 41' ' ' TRP . . . . . 0.452 ' CZ3' ' HD3' ' A' ' 55' ' ' PRO . 10.8 m0 -105.61 134.89 47.98 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 108.0 -1.111 . . . . 0.0 108.0 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 42' ' ' TRP . . . . . 0.702 ' CE3' HD13 ' A' ' 59' ' ' LEU . 34.0 m0 -84.06 157.21 21.87 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 107.994 -1.113 . . . . 0.0 107.994 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 0.503 ' HB2' ' CE1' ' A' ' 53' ' ' TYR . 9.8 tttp -110.53 99.81 8.73 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.531 1.144 . . . . 0.0 109.315 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.745 ' N ' HD22 ' A' ' 44' ' ' LEU . 0.6 OUTLIER -97.19 167.02 11.29 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.495 1.122 . . . . 0.0 109.302 -179.998 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 45' ' ' ARG . . . . . 0.795 ' HB2' HD11 ' A' ' 35' ' ' LEU . 10.2 ttp180 -132.23 132.01 42.67 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.531 1.145 . . . . 0.0 110.336 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 46' ' ' SER . . . . . 0.509 ' HA ' HD12 ' A' ' 32' ' ' LEU . 84.5 p -83.73 167.05 17.52 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.477 1.11 . . . . 0.0 109.986 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 7.5 mmm180 -69.15 -8.52 46.26 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.47 1.106 . . . . 0.0 110.289 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 1.7 t -85.76 8.36 20.17 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.534 1.146 . . . . 0.0 109.997 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 74.77 13.54 82.19 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.503 1.127 . . . . 0.0 110.922 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 45.5 mm-40 -95.75 148.27 22.74 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.456 0.739 . . . . 0.0 110.334 179.938 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -134.77 129.67 34.97 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.485 1.116 . . . . 0.0 109.339 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 52' ' ' GLY . . . . . 0.47 ' CA ' ' HB2' ' A' ' 24' ' ' LEU . . . -150.12 161.03 28.78 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.456 1.097 . . . . 0.0 111.008 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 53' ' ' TYR . . . . . 0.503 ' CE1' ' HB2' ' A' ' 43' ' ' LYS . 49.4 m-85 -86.57 150.28 24.35 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.469 0.747 . . . . 0.0 110.986 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.648 ' CG2' HD23 ' A' ' 44' ' ' LEU . 0.0 OUTLIER -152.1 163.5 23.37 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.527 1.142 . . . . 0.0 109.298 -179.968 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 55' ' ' PRO . . . . . 0.452 ' HD3' ' CZ3' ' A' ' 41' ' ' TRP . 18.3 Cg_endo -74.97 138.41 23.08 Favored 'Trans proline' 0 C--N 1.359 1.106 0 O-C-N 124.493 1.786 . . . . 0.0 110.99 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 56' ' ' CYS . . . . . 0.579 ' HA ' HD12 ' A' ' 59' ' ' LEU . 31.9 p -78.39 -2.63 39.25 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.469 1.105 . . . . 0.0 108.307 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -68.35 -39.79 81.73 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.538 1.148 . . . . 0.0 109.329 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 17.5 pt -85.04 -20.52 8.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.531 1.145 . . . . 0.0 109.331 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.702 HD13 ' CE3' ' A' ' 42' ' ' TRP . 84.1 mt -64.46 164.91 10.69 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.464 1.103 . . . . 0.0 109.329 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 60' ' ' GLY . . . . . 0.451 ' H ' HG22 ' A' ' 10' ' ' VAL . . . -164.43 143.88 8.92 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.485 1.116 . . . . 0.0 111.019 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 5.5 mt-10 -61.35 118.13 6.53 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.511 0.771 . . . . 0.0 110.265 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -99.94 173.62 6.58 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.497 1.123 . . . . 0.0 109.27 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -72.95 156.85 38.42 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.541 1.151 . . . . 0.0 110.018 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -168.82 164.11 37.77 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.477 1.111 . . . . 0.0 111.031 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 130.53 13.39 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.538 1.81 . . . . 0.0 111.004 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -42.13 116.38 0.81 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.47 1.106 . . . . 0.0 110.003 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -119.82 -59.24 1.82 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.475 1.11 . . . . 0.0 110.015 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.984 0 O-C-N 124.485 1.116 . . . . 0.0 111.003 -179.983 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.956 0 N-CA-C 111.008 -0.837 . . . . 0.0 111.008 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 64.33 151.79 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.466 0.745 . . . . 0.0 109.942 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -115.43 148.6 39.19 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.514 1.134 . . . . 0.0 109.991 179.947 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 76.18 101.55 0.14 Allowed Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.475 1.109 . . . . 0.0 111.013 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -82.45 115.17 21.34 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.482 0.754 . . . . 0.0 109.996 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 60.8 p -142.58 117.46 9.93 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.546 1.154 . . . . 0.0 109.956 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -161.83 96.18 0.14 Allowed Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.52 1.138 . . . . 0.0 110.986 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.412 ' O ' HG12 ' A' ' 34' ' ' VAL . 0.7 OUTLIER -100.79 168.92 9.35 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.463 0.743 . . . . 0.0 109.32 179.973 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 9' ' ' TYR . . . . . 0.506 ' CE2' ' HG3' ' A' ' 33' ' ' GLU . 56.8 m-85 -138.98 176.45 8.68 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.471 1.107 . . . . 0.0 110.973 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.677 HG21 ' HB3' ' A' ' 59' ' ' LEU . 8.8 p -136.15 142.54 38.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.501 1.126 . . . . 0.0 109.286 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 13.3 tttt -100.61 125.17 46.98 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.472 1.107 . . . . 0.0 109.25 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.516 HD12 HG21 ' A' ' 26' ' ' VAL . 14.5 mm -72.89 128.48 35.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.468 1.105 . . . . 0.0 109.276 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 54.7 mt -91.78 -28.95 17.04 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.496 1.123 . . . . 0.0 109.301 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' TYR . . . . . 0.457 ' O ' ' CG2' ' A' ' 12' ' ' ILE . 97.0 m-85 -133.28 142.59 48.58 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.545 1.153 . . . . 0.0 110.993 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -72.83 115.0 11.6 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.476 1.11 . . . . 0.0 109.281 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 16' ' ' PHE . . . . . 0.558 ' CE2' HG12 ' A' ' 54' ' ' VAL . 62.0 t80 -112.2 148.33 34.31 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.475 1.109 . . . . 0.0 111.014 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.4 ' O ' ' C ' ' A' ' 18' ' ' ALA . 16.4 m -123.95 115.25 20.94 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.478 1.111 . . . . 0.0 110.415 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.4 ' C ' ' O ' ' A' ' 17' ' ' THR . . . -40.31 114.93 0.5 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.527 1.142 . . . . 0.0 109.301 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 19' ' ' ARG . . . . . 0.421 ' NH1' ' HB3' ' A' ' 19' ' ' ARG . 5.4 mmm180 -89.75 -14.83 33.78 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.531 1.144 . . . . 0.0 110.271 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 1.9 m120 -142.66 -176.94 5.06 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.493 1.121 . . . . 0.0 109.292 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -71.83 -32.55 67.67 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.534 1.146 . . . . 0.0 109.309 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 15.3 m-20 -89.82 42.68 1.11 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.467 1.105 . . . . 0.0 109.308 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 19.9 mt-10 -145.35 151.91 39.04 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.489 1.118 . . . . 0.0 110.289 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.615 HD13 ' N ' ' A' ' 52' ' ' GLY . 5.0 tp -117.59 142.59 47.03 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.54 1.15 . . . . 0.0 109.326 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 1.1 m -96.97 118.96 34.54 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.473 1.108 . . . . 0.0 110.031 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.516 HG21 HD12 ' A' ' 12' ' ' ILE . 23.2 m -133.93 147.95 30.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.522 1.139 . . . . 0.0 109.328 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 5.0 mp -94.83 178.87 5.43 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.467 1.104 . . . . 0.0 109.225 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.438 ' O ' ' CB ' ' A' ' 29' ' ' ASP . 0.3 OUTLIER -82.22 137.88 34.79 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.518 1.136 . . . . 0.0 109.275 -179.989 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 29' ' ' ASP . . . . . 0.438 ' CB ' ' O ' ' A' ' 28' ' ' LYS . 5.7 t0 77.13 24.54 0.84 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.509 1.131 . . . . 0.0 109.33 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 11.0 mt-10 -106.6 152.15 24.11 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.515 1.134 . . . . 0.0 110.345 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.433 ' C ' HD22 ' A' ' 32' ' ' LEU . 91.0 t -123.15 125.37 71.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.511 1.132 . . . . 0.0 109.269 -179.942 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.51 HD22 ' N ' ' A' ' 32' ' ' LEU . 2.8 mm? -112.26 175.82 5.28 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.481 1.113 . . . . 0.0 109.292 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 33' ' ' GLU . . . . . 0.506 ' HG3' ' CE2' ' A' ' 9' ' ' TYR . 3.0 tt0 -100.52 111.93 24.23 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.508 1.13 . . . . 0.0 110.272 -179.938 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.412 HG12 ' O ' ' A' ' 8' ' ' LYS . 13.1 p -73.36 130.44 35.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.491 1.119 . . . . 0.0 109.296 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.722 HD11 ' HB2' ' A' ' 45' ' ' ARG . 5.7 mt -112.78 -50.93 2.86 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.49 1.118 . . . . 0.0 109.288 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -115.34 124.7 51.94 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.508 1.13 . . . . 0.0 110.294 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 1.9 p-10 -129.99 176.23 8.23 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.478 1.111 . . . . 0.0 109.287 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 72.46 17.29 77.69 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.528 1.143 . . . . 0.0 111.023 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -127.27 164.5 21.6 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.509 0.77 . . . . 0.0 110.277 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 27.3 mt-30 -39.76 -68.72 0.16 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.482 1.114 . . . . 0.0 110.309 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' TRP . . . . . 0.572 ' CZ3' ' HD3' ' A' ' 55' ' ' PRO . 11.6 m0 -109.81 137.87 46.99 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 0.0 108.046 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 42' ' ' TRP . . . . . 0.62 ' CE3' HD13 ' A' ' 59' ' ' LEU . 45.9 m0 -82.84 156.0 23.86 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.523 1.14 . . . . 0.0 107.976 -179.934 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 0.563 ' HB2' ' CE1' ' A' ' 53' ' ' TYR . 70.4 tttt -113.24 99.91 8.17 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.481 1.113 . . . . 0.0 109.286 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.795 HD23 ' CG2' ' A' ' 54' ' ' VAL . 0.4 OUTLIER -95.16 167.01 11.63 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.475 1.11 . . . . 0.0 109.261 -179.987 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 45' ' ' ARG . . . . . 0.722 ' HB2' HD11 ' A' ' 35' ' ' LEU . 10.7 ttp180 -136.06 120.25 17.8 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.521 1.138 . . . . 0.0 110.265 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 6.8 p -69.32 153.22 43.95 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.516 1.135 . . . . 0.0 109.959 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -54.4 -22.52 12.67 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.541 1.151 . . . . 0.0 110.308 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -69.84 -12.05 61.33 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.478 1.111 . . . . 0.0 109.997 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 102.58 -15.21 56.09 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.563 1.164 . . . . 0.0 111.04 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 2.0 mm-40 -63.64 155.35 30.08 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.52 0.776 . . . . 0.0 110.312 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 51' ' ' ALA . . . . . 0.407 ' C ' HD13 ' A' ' 24' ' ' LEU . . . -142.68 130.78 21.92 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.456 1.098 . . . . 0.0 109.292 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 52' ' ' GLY . . . . . 0.615 ' N ' HD13 ' A' ' 24' ' ' LEU . . . -150.06 164.53 29.65 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.458 1.099 . . . . 0.0 111.035 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 53' ' ' TYR . . . . . 0.563 ' CE1' ' HB2' ' A' ' 43' ' ' LYS . 54.0 m-85 -96.59 148.7 22.57 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.513 0.772 . . . . 0.0 110.998 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.795 ' CG2' HD23 ' A' ' 44' ' ' LEU . 0.0 OUTLIER -149.91 164.49 20.54 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.491 1.119 . . . . 0.0 109.255 -179.967 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 55' ' ' PRO . . . . . 0.572 ' HD3' ' CZ3' ' A' ' 41' ' ' TRP . 18.5 Cg_endo -74.97 142.32 27.82 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.513 1.796 . . . . 0.0 111.006 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 56' ' ' CYS . . . . . 0.62 ' HA ' HD12 ' A' ' 59' ' ' LEU . 31.9 p -78.06 -3.42 42.15 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.491 1.119 . . . . 0.0 108.284 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -66.52 -43.43 85.23 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.558 1.161 . . . . 0.0 109.266 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 8.7 pt -81.24 -26.36 10.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.47 1.106 . . . . 0.0 109.309 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.677 ' HB3' HG21 ' A' ' 10' ' ' VAL . 88.9 mt -65.92 159.43 25.63 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.464 1.103 . . . . 0.0 109.318 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 60' ' ' GLY . . . . . 0.538 ' O ' HG23 ' A' ' 10' ' ' VAL . . . -145.8 -144.84 4.16 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.474 1.109 . . . . 0.0 111.017 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 18.5 tt0 -119.02 140.79 49.44 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.487 0.757 . . . . 0.0 110.356 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -121.96 141.96 50.78 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.489 1.118 . . . . 0.0 109.29 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -77.82 90.71 4.08 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.528 1.143 . . . . 0.0 110.037 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -87.15 -174.74 48.98 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.501 1.125 . . . . 0.0 111.015 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 -38.66 1.51 Allowed 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.496 1.787 . . . . 0.0 110.994 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 65.49 121.09 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.516 1.135 . . . . 0.0 109.958 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 36.6 t -64.85 -59.46 4.18 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.499 1.125 . . . . 0.0 109.959 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.028 0 O-C-N 124.553 1.158 . . . . 0.0 110.989 179.997 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.014 0 N-CA-C 111.001 -0.839 . . . . 0.0 111.001 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 7.6 t -95.75 137.88 34.18 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.521 0.777 . . . . 0.0 110.005 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 66.0 p -170.06 96.31 0.27 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.519 1.137 . . . . 0.0 110.045 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 139.63 101.8 0.51 Allowed Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.49 1.119 . . . . 0.0 111.03 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 12.0 p -158.71 143.54 16.03 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.493 0.761 . . . . 0.0 109.987 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 43.1 t 64.55 74.72 0.39 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.46 1.1 . . . . 0.0 110.033 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -121.51 101.28 0.77 Allowed Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.539 1.149 . . . . 0.0 110.982 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.481 ' O ' HG12 ' A' ' 34' ' ' VAL . 0.0 OUTLIER -119.83 158.33 26.83 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.537 0.786 . . . . 0.0 109.352 179.949 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 9' ' ' TYR . . . . . 0.624 ' O ' ' HB3' ' A' ' 62' ' ' ALA . 91.4 m-85 -135.95 162.47 32.75 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.495 1.122 . . . . 0.0 110.998 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.491 HG21 ' HB3' ' A' ' 59' ' ' LEU . 8.8 p -121.18 137.37 55.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.473 1.108 . . . . 0.0 109.305 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -103.58 103.88 13.87 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.527 1.142 . . . . 0.0 109.287 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.422 HG21 ' O ' ' A' ' 27' ' ' LEU . 33.2 mm -46.61 149.37 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.551 1.157 . . . . 0.0 109.304 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 69.3 mt -113.38 -35.9 5.15 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.55 1.156 . . . . 0.0 109.267 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 85.0 m-85 -129.68 142.19 50.77 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.423 1.077 . . . . 0.0 111.034 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -72.08 109.42 5.86 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.558 1.161 . . . . 0.0 109.294 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 16' ' ' PHE . . . . . 0.488 ' CD2' HG12 ' A' ' 54' ' ' VAL . 46.4 t80 -103.27 147.93 26.46 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.474 1.109 . . . . 0.0 111.004 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.403 ' O ' ' C ' ' A' ' 18' ' ' ALA . 4.1 m -114.89 99.14 7.26 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.472 1.108 . . . . 0.0 110.393 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.696 ' HB2' ' C ' ' A' ' 24' ' ' LEU . . . -40.09 118.23 0.87 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.47 1.106 . . . . 0.0 109.306 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 17.2 mtt-85 -73.85 -30.28 62.58 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.491 1.119 . . . . 0.0 110.313 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 31.9 m-80 -143.76 -175.07 4.43 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.475 1.109 . . . . 0.0 109.299 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -66.99 -48.79 67.37 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.549 1.156 . . . . 0.0 109.3 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 5.0 p30 -47.83 -24.79 1.08 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.521 1.138 . . . . 0.0 109.314 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 65.9 mt-10 -97.98 165.04 12.1 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.469 1.105 . . . . 0.0 110.3 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.696 ' C ' ' HB2' ' A' ' 18' ' ' ALA . 5.5 tp -125.34 142.58 51.42 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.547 1.155 . . . . 0.0 109.3 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 25' ' ' SER . . . . . 0.434 ' N ' ' HB2' ' A' ' 18' ' ' ALA . 0.4 OUTLIER -95.84 120.58 36.36 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.488 1.118 . . . . 0.0 110.031 179.989 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 11.2 m -133.66 146.65 31.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.523 1.139 . . . . 0.0 109.288 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.422 ' O ' HG21 ' A' ' 12' ' ' ILE . 5.8 mp -95.42 179.2 5.25 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.505 1.128 . . . . 0.0 109.308 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.484 ' O ' ' CB ' ' A' ' 29' ' ' ASP . 0.0 OUTLIER -83.05 136.23 34.56 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.52 1.138 . . . . 0.0 109.277 -179.991 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 29' ' ' ASP . . . . . 0.484 ' CB ' ' O ' ' A' ' 28' ' ' LYS . 1.4 t70 80.83 21.69 0.4 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.461 1.1 . . . . 0.0 109.277 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 4.6 mt-10 -97.92 159.66 14.79 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.486 1.116 . . . . 0.0 110.303 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 69.2 t -131.31 117.94 38.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.544 1.152 . . . . 0.0 109.267 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.433 HD12 ' HA ' ' A' ' 46' ' ' SER . 3.2 mm? -108.46 172.47 6.82 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.504 1.127 . . . . 0.0 109.307 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 33' ' ' GLU . . . . . 0.561 ' HG3' ' CE2' ' A' ' 9' ' ' TYR . 3.1 tt0 -101.16 109.07 20.9 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.491 1.119 . . . . 0.0 110.331 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.481 HG12 ' O ' ' A' ' 8' ' ' LYS . 9.8 p -70.69 133.09 32.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.499 1.124 . . . . 0.0 109.317 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.731 HD11 ' HB2' ' A' ' 45' ' ' ARG . 1.7 mt -119.18 -46.61 2.51 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.511 1.132 . . . . 0.0 109.334 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -123.27 123.98 41.96 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.505 1.128 . . . . 0.0 110.254 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 2.2 p-10 -133.39 176.45 8.51 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.497 1.123 . . . . 0.0 109.275 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 82.21 14.81 75.95 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.489 1.118 . . . . 0.0 111.0 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 6.2 mtt85 -127.73 165.52 19.91 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.489 0.758 . . . . 0.0 110.309 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 62.2 mt-30 -39.35 -63.8 0.52 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.522 1.139 . . . . 0.0 110.327 179.936 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' TRP . . . . . 0.578 ' CZ3' ' HD3' ' A' ' 55' ' ' PRO . 11.6 m0 -113.05 138.14 50.35 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.465 1.103 . . . . 0.0 108.026 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 42' ' ' TRP . . . . . 0.443 ' CE3' HD13 ' A' ' 59' ' ' LEU . 42.1 m0 -84.49 156.19 21.82 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.495 1.122 . . . . 0.0 107.993 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 0.568 ' HB2' ' CE1' ' A' ' 53' ' ' TYR . 5.8 tttt -112.46 99.91 8.35 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.51 1.131 . . . . 0.0 109.287 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.803 HD23 ' CG2' ' A' ' 54' ' ' VAL . 0.2 OUTLIER -98.87 164.95 12.0 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.509 1.131 . . . . 0.0 109.27 179.992 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 45' ' ' ARG . . . . . 0.731 ' HB2' HD11 ' A' ' 35' ' ' LEU . 38.2 ttm180 -132.68 123.9 27.2 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.481 1.113 . . . . 0.0 110.294 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 46' ' ' SER . . . . . 0.433 ' HA ' HD12 ' A' ' 32' ' ' LEU . 0.9 OUTLIER -74.46 166.33 23.7 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.52 1.138 . . . . 0.0 110.022 179.975 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.19 -8.83 53.08 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.513 1.133 . . . . 0.0 110.33 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 3.8 t -85.93 11.41 11.48 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.508 1.13 . . . . 0.0 110.036 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 73.06 13.19 79.44 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.479 1.112 . . . . 0.0 111.02 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 10.5 mm100 -94.32 146.41 24.05 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.49 0.759 . . . . 0.0 110.29 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -134.82 129.06 33.92 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.488 1.118 . . . . 0.0 109.295 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 52' ' ' GLY . . . . . 0.447 ' N ' HD13 ' A' ' 24' ' ' LEU . . . -150.16 164.21 29.63 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.492 1.12 . . . . 0.0 111.0 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 53' ' ' TYR . . . . . 0.568 ' CE1' ' HB2' ' A' ' 43' ' ' LYS . 50.7 m-85 -93.78 152.48 18.9 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.511 0.771 . . . . 0.0 111.024 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.803 ' CG2' HD23 ' A' ' 44' ' ' LEU . 0.0 OUTLIER -151.89 163.01 25.0 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.516 1.135 . . . . 0.0 109.321 179.996 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 55' ' ' PRO . . . . . 0.578 ' HD3' ' CZ3' ' A' ' 41' ' ' TRP . 18.2 Cg_endo -75.04 145.64 31.54 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.425 1.75 . . . . 0.0 110.935 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 17.3 p -82.57 -1.13 49.82 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.504 1.128 . . . . 0.0 108.335 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -70.39 -24.1 62.89 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.495 1.122 . . . . 0.0 109.266 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 8.0 pt -104.4 -20.88 5.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.484 1.115 . . . . 0.0 109.314 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.491 ' HB3' HG21 ' A' ' 10' ' ' VAL . 73.2 mt -74.43 159.91 31.68 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.461 1.1 . . . . 0.0 109.28 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -159.72 149.41 19.07 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.467 1.104 . . . . 0.0 110.988 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -60.84 114.94 3.32 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.505 0.768 . . . . 0.0 110.332 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 62' ' ' ALA . . . . . 0.624 ' HB3' ' O ' ' A' ' 9' ' ' TYR . . . -81.91 118.09 22.67 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.511 1.132 . . . . 0.0 109.317 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 83.8 p -56.97 129.74 42.99 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.478 1.111 . . . . 0.0 110.002 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -174.44 -172.49 39.62 Favored Glycine 0 CA--C 1.529 0.941 0 O-C-N 124.515 1.134 . . . . 0.0 111.007 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 61.42 5.63 Favored 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.509 1.794 . . . . 0.0 111.017 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 62.9 p -137.68 169.42 17.81 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.467 1.105 . . . . 0.0 110.001 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 26.8 p -97.97 130.83 44.8 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.511 1.132 . . . . 0.0 109.967 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.964 0 O-C-N 124.51 1.131 . . . . 0.0 111.033 179.962 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.964 0 N-CA-C 111.034 -0.826 . . . . 0.0 111.034 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 80.2 p -68.21 104.31 1.79 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.488 0.758 . . . . 0.0 109.97 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 67.91 -75.07 0.07 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.499 1.124 . . . . 0.0 109.986 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 114.42 -163.93 12.13 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.496 1.123 . . . . 0.0 110.995 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 66.71 106.08 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.51 0.771 . . . . 0.0 109.98 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -168.06 79.81 0.17 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.444 1.09 . . . . 0.0 110.017 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -84.16 127.15 7.95 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.493 1.121 . . . . 0.0 110.968 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.439 ' O ' HG12 ' A' ' 34' ' ' VAL . 2.2 mmtp -116.77 158.57 23.66 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.477 0.751 . . . . 0.0 109.282 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 67.6 m-85 -133.02 175.97 8.9 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.46 1.1 . . . . 0.0 110.96 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.551 HG21 ' HB3' ' A' ' 59' ' ' LEU . 4.1 p -139.28 132.98 38.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.555 1.159 . . . . 0.0 109.277 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 10.4 tttt -97.1 116.39 29.23 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.47 1.107 . . . . 0.0 109.291 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.448 ' CG2' ' O ' ' A' ' 14' ' ' TYR . 39.1 mm -63.34 128.1 24.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.495 1.122 . . . . 0.0 109.31 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 86.5 mt -91.33 -29.24 17.24 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.544 1.152 . . . . 0.0 109.306 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' TYR . . . . . 0.448 ' O ' ' CG2' ' A' ' 12' ' ' ILE . 82.1 m-85 -137.43 144.76 42.52 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.438 1.086 . . . . 0.0 110.969 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -71.54 123.1 21.71 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.431 1.082 . . . . 0.0 109.317 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 16' ' ' PHE . . . . . 0.683 ' CD2' HG12 ' A' ' 54' ' ' VAL . 67.3 t80 -118.47 137.57 53.09 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.416 1.073 . . . . 0.0 111.032 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 57.9 m -104.69 103.85 13.56 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.527 1.142 . . . . 0.0 110.397 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.641 ' HB2' ' C ' ' A' ' 24' ' ' LEU . . . -45.37 114.95 0.83 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.569 1.168 . . . . 0.0 109.318 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 12.5 mmm180 -65.2 -33.69 76.59 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.503 1.127 . . . . 0.0 110.276 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 13.5 m-80 -144.63 -175.9 4.84 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.482 1.114 . . . . 0.0 109.317 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -63.01 -48.22 79.74 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.506 1.129 . . . . 0.0 109.322 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' ASN . . . . . 0.452 ' OD1' ' N ' ' A' ' 23' ' ' GLU . 30.9 p30 -47.68 -24.9 1.03 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.485 1.116 . . . . 0.0 109.279 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 23' ' ' GLU . . . . . 0.452 ' N ' ' OD1' ' A' ' 22' ' ' ASN . 53.5 mt-10 -99.48 152.87 19.51 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.508 1.13 . . . . 0.0 110.295 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.641 ' C ' ' HB2' ' A' ' 18' ' ' ALA . 5.4 tp -108.87 137.66 46.45 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.5 1.125 . . . . 0.0 109.35 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 8.4 p -92.12 120.58 32.87 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.495 1.122 . . . . 0.0 110.015 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.451 HG11 ' HG ' ' A' ' 32' ' ' LEU . 35.7 m -132.99 167.74 25.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.517 1.136 . . . . 0.0 109.327 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 17.8 mt -121.61 179.06 4.58 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.537 1.148 . . . . 0.0 109.303 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.46 ' O ' ' CB ' ' A' ' 29' ' ' ASP . 12.5 tttt -81.91 138.24 35.04 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.477 1.111 . . . . 0.0 109.306 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 29' ' ' ASP . . . . . 0.46 ' CB ' ' O ' ' A' ' 28' ' ' LYS . 3.7 m-20 78.86 23.76 0.57 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.527 1.142 . . . . 0.0 109.261 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 8.3 mt-10 -106.31 161.38 14.61 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.467 1.105 . . . . 0.0 110.309 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.428 ' C ' HD22 ' A' ' 32' ' ' LEU . 80.1 t -133.45 118.17 30.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.507 1.129 . . . . 0.0 109.308 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.552 HD22 ' N ' ' A' ' 32' ' ' LEU . 2.4 mm? -105.71 178.82 4.45 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.467 1.105 . . . . 0.0 109.301 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 33' ' ' GLU . . . . . 0.462 ' HG2' ' CD2' ' A' ' 35' ' ' LEU . 8.1 tt0 -107.49 120.25 41.66 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.539 1.149 . . . . 0.0 110.267 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.617 ' HA ' HD13 ' A' ' 44' ' ' LEU . 9.8 p -77.17 132.87 31.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.444 1.09 . . . . 0.0 109.277 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.917 HD11 ' HB2' ' A' ' 45' ' ' ARG . 3.5 mt -118.18 -46.85 2.59 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.499 1.124 . . . . 0.0 109.273 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -125.48 124.88 42.35 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.536 1.147 . . . . 0.0 110.315 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 1.7 p-10 -134.31 173.18 11.9 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.533 1.146 . . . . 0.0 109.274 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 96.93 -13.25 65.25 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.463 1.102 . . . . 0.0 111.038 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -107.8 165.87 11.12 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.575 0.809 . . . . 0.0 110.286 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -39.02 -80.74 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.498 1.124 . . . . 0.0 110.297 -179.935 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 41' ' ' TRP . . . . . 0.571 ' CZ3' ' HD3' ' A' ' 55' ' ' PRO . 11.4 m0 -89.99 138.54 31.42 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.491 1.119 . . . . 0.0 108.021 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 42' ' ' TRP . . . . . 0.682 ' CE3' HD13 ' A' ' 59' ' ' LEU . 25.5 m0 -91.51 156.7 17.5 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.493 1.121 . . . . 0.0 107.993 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 0.509 ' HB2' ' CE1' ' A' ' 53' ' ' TYR . 25.9 tttt -110.3 99.87 8.84 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.492 1.12 . . . . 0.0 109.337 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.736 ' N ' HD22 ' A' ' 44' ' ' LEU . 0.6 OUTLIER -95.0 166.84 11.74 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.493 1.12 . . . . 0.0 109.283 -179.954 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 45' ' ' ARG . . . . . 0.917 ' HB2' HD11 ' A' ' 35' ' ' LEU . 21.9 ttp180 -133.23 132.64 41.73 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.489 1.118 . . . . 0.0 110.28 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 20.7 p -84.4 168.16 15.81 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.486 1.116 . . . . 0.0 110.009 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.55 -7.24 36.68 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.436 1.085 . . . . 0.0 110.291 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -86.8 8.48 22.6 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.444 1.09 . . . . 0.0 110.03 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 74.61 14.55 81.11 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.496 1.123 . . . . 0.0 111.006 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 50' ' ' GLN . . . . . 0.486 ' O ' ' CG ' ' A' ' 45' ' ' ARG . 0.7 OUTLIER -94.75 154.91 17.07 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.483 0.755 . . . . 0.0 110.298 179.989 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -141.05 131.1 24.63 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.445 1.09 . . . . 0.0 109.297 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 52' ' ' GLY . . . . . 0.497 ' N ' HD13 ' A' ' 24' ' ' LEU . . . -149.91 165.11 29.69 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.458 1.099 . . . . 0.0 111.026 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 53' ' ' TYR . . . . . 0.509 ' CE1' ' HB2' ' A' ' 43' ' ' LYS . 62.3 m-85 -94.52 149.37 21.31 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.469 0.746 . . . . 0.0 111.011 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.698 ' CG2' HD23 ' A' ' 44' ' ' LEU . 0.0 OUTLIER -150.44 163.31 24.65 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.462 1.101 . . . . 0.0 109.324 179.981 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 55' ' ' PRO . . . . . 0.571 ' HD3' ' CZ3' ' A' ' 41' ' ' TRP . 18.2 Cg_endo -75.02 143.53 29.1 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.522 1.801 . . . . 0.0 110.993 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 56' ' ' CYS . . . . . 0.424 ' HA ' HD12 ' A' ' 59' ' ' LEU . 25.9 p -83.37 3.34 32.16 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.531 1.144 . . . . 0.0 108.338 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -78.67 -24.5 45.07 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.518 1.136 . . . . 0.0 109.28 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 0.413 ' CD1' ' HB2' ' A' ' 16' ' ' PHE . 32.0 pt -100.38 -19.92 5.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.434 1.084 . . . . 0.0 109.255 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.682 HD13 ' CE3' ' A' ' 42' ' ' TRP . 96.8 mt -66.85 172.14 4.67 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.531 1.145 . . . . 0.0 109.333 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 60' ' ' GLY . . . . . 0.443 ' H ' HG22 ' A' ' 10' ' ' VAL . . . -172.52 147.38 9.82 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.529 1.143 . . . . 0.0 111.016 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 1.9 pt-20 -60.86 123.61 18.06 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.524 0.779 . . . . 0.0 110.324 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -105.69 137.88 42.81 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.486 1.116 . . . . 0.0 109.309 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -124.12 104.65 8.98 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.54 1.15 . . . . 0.0 110.001 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -97.98 -170.23 32.38 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.486 1.116 . . . . 0.0 110.972 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 113.79 3.87 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.48 1.779 . . . . 0.0 111.001 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 66.6 142.32 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.498 1.124 . . . . 0.0 109.986 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 8.4 m -120.44 94.32 4.33 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.486 1.116 . . . . 0.0 110.025 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.996 0 O-C-N 124.495 1.122 . . . . 0.0 111.015 -179.957 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.988 0 N-CA-C 111.004 -0.839 . . . . 0.0 111.004 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.3 m -158.96 -58.24 0.07 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.459 0.74 . . . . 0.0 109.998 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -159.91 80.38 0.71 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.461 1.101 . . . . 0.0 109.958 -179.942 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 65.45 150.0 0.08 OUTLIER Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.503 1.127 . . . . 0.0 111.008 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.4 t -118.99 98.87 6.39 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.558 0.799 . . . . 0.0 110.053 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.4 m -175.57 155.61 1.79 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.462 1.101 . . . . 0.0 110.018 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -106.24 -151.34 19.02 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.476 1.11 . . . . 0.0 110.979 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -118.27 168.98 10.1 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.446 0.733 . . . . 0.0 109.344 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 55.0 m-85 -139.83 171.14 14.65 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.52 1.137 . . . . 0.0 111.001 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 9.7 p -136.24 139.42 45.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.44 1.088 . . . . 0.0 109.346 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.404 ' HA ' ' O ' ' A' ' 30' ' ' GLU . 3.0 tttt -110.1 111.22 22.44 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.51 1.131 . . . . 0.0 109.341 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.403 ' CG1' HD23 ' A' ' 32' ' ' LEU . 28.3 mm -52.54 145.14 2.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.462 1.101 . . . . 0.0 109.303 -179.951 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 71.1 mt -109.16 -31.64 7.51 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.511 1.132 . . . . 0.0 109.282 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 89.8 m-85 -132.23 143.79 50.18 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.502 1.126 . . . . 0.0 110.963 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 3.3 p30 -71.89 117.64 13.74 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.468 1.105 . . . . 0.0 109.286 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 76.6 t80 -116.99 155.71 28.71 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.509 1.131 . . . . 0.0 111.014 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 23.2 m -123.04 110.34 15.22 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.533 1.146 . . . . 0.0 110.453 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.645 ' HB2' ' C ' ' A' ' 24' ' ' LEU . . . -46.49 113.85 0.71 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.469 1.106 . . . . 0.0 109.266 -179.948 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 50.0 mmm-85 -66.86 -30.14 70.24 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.447 1.092 . . . . 0.0 110.287 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 33.8 m-80 -144.47 -172.8 3.88 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.47 1.107 . . . . 0.0 109.31 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -69.05 -48.17 63.51 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.52 1.137 . . . . 0.0 109.286 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' ASN . . . . . 0.405 ' O ' ' N ' ' A' ' 53' ' ' TYR . 2.1 p30 -49.66 -23.54 1.78 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.511 1.132 . . . . 0.0 109.311 179.947 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 29.8 mt-10 -99.62 149.67 23.04 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.518 1.136 . . . . 0.0 110.303 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.645 ' C ' ' HB2' ' A' ' 18' ' ' ALA . 5.1 tp -105.52 138.51 41.59 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.53 1.144 . . . . 0.0 109.289 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 25' ' ' SER . . . . . 0.489 ' N ' ' HB2' ' A' ' 18' ' ' ALA . 3.1 p -92.57 116.71 29.24 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.532 1.145 . . . . 0.0 109.988 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 35.9 m -125.0 173.82 10.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.509 1.13 . . . . 0.0 109.306 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 12.7 mt -127.93 179.14 5.72 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.493 1.121 . . . . 0.0 109.343 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.44 ' HG2' ' N ' ' A' ' 29' ' ' ASP . 7.2 tttt -78.69 149.49 32.78 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.482 1.113 . . . . 0.0 109.296 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 29' ' ' ASP . . . . . 0.44 ' N ' ' HG2' ' A' ' 28' ' ' LYS . 1.1 m-20 60.23 39.52 19.06 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.506 1.129 . . . . 0.0 109.323 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 30' ' ' GLU . . . . . 0.404 ' O ' ' HA ' ' A' ' 11' ' ' LYS . 23.8 mt-10 -116.46 160.23 20.89 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.473 1.108 . . . . 0.0 110.291 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 89.7 t -130.13 120.49 49.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.497 1.123 . . . . 0.0 109.322 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.481 HD22 ' N ' ' A' ' 32' ' ' LEU . 3.0 mm? -110.75 174.64 5.77 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.457 1.098 . . . . 0.0 109.288 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 33' ' ' GLU . . . . . 0.451 ' HG2' ' CD2' ' A' ' 35' ' ' LEU . 8.1 tt0 -105.03 108.47 20.01 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.544 1.153 . . . . 0.0 110.317 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 13.3 p -72.86 128.26 35.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.52 1.137 . . . . 0.0 109.279 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.617 HD11 ' HB2' ' A' ' 45' ' ' ARG . 0.3 OUTLIER -110.83 -43.61 3.77 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.485 1.115 . . . . 0.0 109.29 179.97 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 4.4 mt-10 -129.47 128.66 43.35 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.508 1.13 . . . . 0.0 110.274 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 2.1 p-10 -137.72 171.99 13.62 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.5 1.125 . . . . 0.0 109.243 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 97.81 -4.58 61.39 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.491 1.12 . . . . 0.0 111.005 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -110.73 163.44 13.76 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.532 0.784 . . . . 0.0 110.312 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 4.0 pt20 -42.09 -53.17 4.05 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.521 1.138 . . . . 0.0 110.335 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' TRP . . . . . 0.509 ' CE3' ' C ' ' A' ' 54' ' ' VAL . 14.1 m95 -115.55 135.44 54.08 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.559 1.162 . . . . 0.0 107.973 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 42' ' ' TRP . . . . . 0.831 ' CE3' HD13 ' A' ' 59' ' ' LEU . 41.8 m0 -88.05 162.14 16.96 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.514 1.134 . . . . 0.0 108.008 179.949 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 0.484 ' HB2' ' CE1' ' A' ' 53' ' ' TYR . 32.2 tttt -116.9 99.93 7.42 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.528 1.143 . . . . 0.0 109.278 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.785 HD23 ' CG2' ' A' ' 54' ' ' VAL . 0.1 OUTLIER -99.33 166.7 11.07 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.499 1.124 . . . . 0.0 109.274 179.992 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 45' ' ' ARG . . . . . 0.617 ' HB2' HD11 ' A' ' 35' ' ' LEU . 17.8 ttp180 -135.38 125.73 26.54 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.558 1.161 . . . . 0.0 110.285 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 36.6 p -76.22 167.48 21.78 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.503 1.127 . . . . 0.0 110.023 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.37 -9.09 51.87 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.539 1.15 . . . . 0.0 110.288 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -84.49 7.98 18.03 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.538 1.149 . . . . 0.0 110.044 179.929 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 75.06 12.46 83.39 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.462 1.102 . . . . 0.0 110.977 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 6.0 mt-30 -93.05 149.18 21.4 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.54 0.788 . . . . 0.0 110.29 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -135.35 130.28 34.73 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.49 1.119 . . . . 0.0 109.315 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 52' ' ' GLY . . . . . 0.455 ' CA ' ' HB2' ' A' ' 24' ' ' LEU . . . -150.31 163.87 29.61 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.493 1.121 . . . . 0.0 111.014 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 53' ' ' TYR . . . . . 0.484 ' CE1' ' HB2' ' A' ' 43' ' ' LYS . 49.2 m-85 -94.82 149.16 21.54 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.488 0.758 . . . . 0.0 110.964 -179.943 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.785 ' CG2' HD23 ' A' ' 44' ' ' LEU . 0.0 OUTLIER -150.49 164.62 19.81 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.519 1.137 . . . . 0.0 109.251 -179.988 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 55' ' ' PRO . . . . . 0.477 ' HD3' ' CZ3' ' A' ' 41' ' ' TRP . 18.0 Cg_endo -75.08 146.96 33.0 Favored 'Trans proline' 0 C--N 1.361 1.202 0 O-C-N 124.468 1.773 . . . . 0.0 110.982 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 20.8 p -85.25 -1.89 57.44 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.502 1.127 . . . . 0.0 108.282 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 1.6 m-20 -71.67 -22.0 61.73 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.486 1.116 . . . . 0.0 109.28 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 17.2 pt -104.22 -22.02 5.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.504 1.128 . . . . 0.0 109.285 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.831 HD13 ' CE3' ' A' ' 42' ' ' TRP . 87.9 mt -66.03 168.36 8.42 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.493 1.121 . . . . 0.0 109.318 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -168.5 153.01 21.66 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.501 1.126 . . . . 0.0 110.982 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 2.0 pm0 -60.99 148.78 38.89 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.545 0.791 . . . . 0.0 110.293 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -125.24 133.02 52.86 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.479 1.112 . . . . 0.0 109.272 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 4.5 m -93.9 -50.35 5.38 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.482 1.113 . . . . 0.0 109.965 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 126.8 167.7 12.42 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.456 1.097 . . . . 0.0 111.023 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 -34.01 4.18 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.492 1.785 . . . . 0.0 110.994 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 40.7 t -83.39 138.0 33.69 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.539 1.149 . . . . 0.0 109.996 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 33.8 m 56.79 81.09 0.14 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.49 1.119 . . . . 0.0 109.978 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.007 0 O-C-N 124.427 1.08 . . . . 0.0 111.02 179.984 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.981 0 N-CA-C 111.022 -0.831 . . . . 0.0 111.022 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -168.04 163.91 13.59 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.446 0.733 . . . . 0.0 110.028 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 68.2 m -66.69 153.69 42.56 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.502 1.126 . . . . 0.0 109.973 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -96.49 -151.73 28.28 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.467 1.104 . . . . 0.0 111.018 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 49.98 96.74 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.51 0.771 . . . . 0.0 109.954 179.94 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -45.72 123.81 4.65 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.558 1.161 . . . . 0.0 110.002 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -37.9 152.46 0.03 OUTLIER Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.523 1.139 . . . . 0.0 111.008 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -102.86 157.55 16.89 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.465 0.744 . . . . 0.0 109.277 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 99.1 m-85 -143.58 172.92 12.13 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.483 1.115 . . . . 0.0 110.961 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 8.1 p -132.17 142.96 41.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.452 1.095 . . . . 0.0 109.277 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -104.9 123.16 47.25 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.551 1.157 . . . . 0.0 109.242 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.688 HG21 HG23 ' A' ' 26' ' ' VAL . 13.5 mm -74.66 114.24 14.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.491 1.119 . . . . 0.0 109.268 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 40.4 mt -81.19 -28.64 34.85 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.481 1.113 . . . . 0.0 109.345 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' TYR . . . . . 0.606 ' O ' HG22 ' A' ' 12' ' ' ILE . 92.8 m-85 -131.82 143.24 50.05 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.514 1.134 . . . . 0.0 111.016 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -73.96 110.9 8.62 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.514 1.134 . . . . 0.0 109.287 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 16' ' ' PHE . . . . . 0.62 ' CE2' HG12 ' A' ' 54' ' ' VAL . 80.6 t80 -101.79 146.45 27.77 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.536 1.148 . . . . 0.0 110.974 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 54.2 m -121.04 117.38 27.09 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.471 1.107 . . . . 0.0 110.381 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -48.49 113.63 0.8 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.492 1.12 . . . . 0.0 109.286 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 6.4 mtp180 -100.45 3.27 42.89 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.463 1.102 . . . . 0.0 110.323 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 4.2 m-80 -154.02 -179.56 7.98 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.476 1.11 . . . . 0.0 109.286 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -77.75 -33.56 52.78 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.472 1.108 . . . . 0.0 109.304 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 62.1 m-20 -89.87 43.19 1.13 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.505 1.128 . . . . 0.0 109.296 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 38.0 mt-10 -147.5 144.11 28.32 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.474 1.109 . . . . 0.0 110.291 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.53 HD13 ' N ' ' A' ' 52' ' ' GLY . 6.3 tp -105.79 148.42 27.53 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.512 1.132 . . . . 0.0 109.315 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 14.1 p -102.1 123.04 45.27 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.505 1.128 . . . . 0.0 110.021 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.688 HG23 HG21 ' A' ' 12' ' ' ILE . 29.0 m -135.8 161.23 38.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.494 1.121 . . . . 0.0 109.307 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 2.1 mm? -109.04 178.67 4.39 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.478 1.112 . . . . 0.0 109.287 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.415 ' O ' ' CB ' ' A' ' 29' ' ' ASP . 1.2 tttt -83.45 138.87 33.27 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.49 1.119 . . . . 0.0 109.343 179.937 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 29' ' ' ASP . . . . . 0.415 ' CB ' ' O ' ' A' ' 28' ' ' LYS . 0.8 OUTLIER 77.02 21.82 1.09 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.521 1.138 . . . . 0.0 109.29 179.994 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 14.4 mt-10 -103.65 155.41 18.58 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.51 1.131 . . . . 0.0 110.25 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 68.9 t -126.03 111.46 26.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.461 1.101 . . . . 0.0 109.304 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.419 HD13 ' HA ' ' A' ' 32' ' ' LEU . 3.0 mm? -100.72 171.38 7.73 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.509 1.13 . . . . 0.0 109.286 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 3.0 tt0 -96.42 114.04 25.68 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.124 . . . . 0.0 110.295 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.41 ' HA ' ' CD1' ' A' ' 44' ' ' LEU . 12.5 p -74.5 133.35 31.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.48 1.112 . . . . 0.0 109.286 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.799 HD11 ' HB2' ' A' ' 45' ' ' ARG . 13.5 mt -115.69 -50.21 2.71 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.556 1.16 . . . . 0.0 109.313 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -117.62 125.45 50.78 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.525 1.141 . . . . 0.0 110.315 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 1.9 p-10 -132.87 174.73 10.02 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.501 1.126 . . . . 0.0 109.28 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 75.27 14.99 81.42 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.504 1.127 . . . . 0.0 110.971 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' ARG . . . . . 0.402 ' O ' ' C ' ' A' ' 40' ' ' GLN . 3.6 mtt180 -128.02 166.14 18.95 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.519 0.776 . . . . 0.0 110.301 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 40' ' ' GLN . . . . . 0.402 ' C ' ' O ' ' A' ' 39' ' ' ARG . 16.2 mt-30 -38.59 -69.66 0.12 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.501 1.126 . . . . 0.0 110.284 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 41' ' ' TRP . . . . . 0.586 ' CZ3' ' HD3' ' A' ' 55' ' ' PRO . 12.2 m0 -110.78 136.54 49.68 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 107.954 -1.128 . . . . 0.0 107.954 -179.95 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 42' ' ' TRP . . . . . 0.503 ' CE3' HD13 ' A' ' 59' ' ' LEU . 40.9 m0 -83.42 157.13 22.59 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.486 1.116 . . . . 0.0 107.99 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 0.568 ' HB2' ' CE1' ' A' ' 53' ' ' TYR . 60.2 tttt -111.55 99.78 8.46 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.547 1.154 . . . . 0.0 109.283 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.831 HD23 ' CG2' ' A' ' 54' ' ' VAL . 0.4 OUTLIER -94.2 167.03 11.82 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.47 1.106 . . . . 0.0 109.27 179.984 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 45' ' ' ARG . . . . . 0.799 ' HB2' HD11 ' A' ' 35' ' ' LEU . 29.6 ttm-85 -145.71 133.16 20.75 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.484 1.115 . . . . 0.0 110.35 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 13.8 t -91.29 170.44 9.99 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.465 1.103 . . . . 0.0 110.016 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.54 -10.28 57.47 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.462 1.101 . . . . 0.0 110.329 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -79.97 1.91 25.61 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.502 1.126 . . . . 0.0 110.029 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 77.7 17.46 78.8 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.493 1.121 . . . . 0.0 111.011 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 50' ' ' GLN . . . . . 0.44 ' O ' ' CG ' ' A' ' 45' ' ' ARG . 35.8 mm-40 -94.95 145.97 24.56 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.501 0.766 . . . . 0.0 110.317 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 51' ' ' ALA . . . . . 0.429 ' CA ' HD13 ' A' ' 24' ' ' LEU . . . -140.52 129.01 22.71 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.505 1.128 . . . . 0.0 109.287 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 52' ' ' GLY . . . . . 0.53 ' N ' HD13 ' A' ' 24' ' ' LEU . . . -150.29 168.2 30.22 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.498 1.124 . . . . 0.0 111.019 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 53' ' ' TYR . . . . . 0.568 ' CE1' ' HB2' ' A' ' 43' ' ' LYS . 53.9 m-85 -102.13 139.05 38.27 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.463 0.743 . . . . 0.0 111.034 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.831 ' CG2' HD23 ' A' ' 44' ' ' LEU . 0.0 OUTLIER -137.58 164.86 38.4 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.464 1.103 . . . . 0.0 109.305 179.984 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 55' ' ' PRO . . . . . 0.586 ' HD3' ' CZ3' ' A' ' 41' ' ' TRP . 18.3 Cg_endo -75.0 147.58 34.1 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.479 1.779 . . . . 0.0 111.002 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 26.5 p -85.86 6.02 30.15 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.532 1.145 . . . . 0.0 108.278 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -77.87 -26.18 49.11 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.514 1.134 . . . . 0.0 109.312 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 0.469 HD12 ' HB2' ' A' ' 16' ' ' PHE . 15.3 pt -102.54 -22.26 4.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.465 1.103 . . . . 0.0 109.325 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.503 HD13 ' CE3' ' A' ' 42' ' ' TRP . 78.3 mt -65.27 163.29 15.64 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.526 1.141 . . . . 0.0 109.327 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -168.99 160.45 33.9 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.504 1.127 . . . . 0.0 111.005 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -64.31 132.73 51.05 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.535 0.785 . . . . 0.0 110.239 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -92.56 124.04 36.3 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.443 1.089 . . . . 0.0 109.323 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 20.3 t -143.21 82.07 1.74 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.479 1.112 . . . . 0.0 110.016 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -80.19 161.97 45.74 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.504 1.128 . . . . 0.0 110.96 -179.936 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 127.83 11.0 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.504 1.791 . . . . 0.0 111.032 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 20.9 t 59.25 164.39 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.503 1.127 . . . . 0.0 110.072 -179.918 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 59.22 111.77 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.457 1.098 . . . . 0.0 109.975 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.996 0 O-C-N 124.546 1.154 . . . . 0.0 110.997 179.969 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.98 0 N-CA-C 110.972 -0.851 . . . . 0.0 110.972 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 10.5 t -134.19 80.22 1.85 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.499 0.764 . . . . 0.0 109.99 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 75.7 m 39.75 88.67 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.524 1.14 . . . . 0.0 110.037 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 171.1 65.32 0.04 OUTLIER Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.513 1.133 . . . . 0.0 110.996 -179.945 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -134.86 121.15 20.2 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.542 0.789 . . . . 0.0 109.977 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 94.5 p -169.3 89.68 0.2 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.579 1.175 . . . . 0.0 109.992 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -87.87 96.69 2.21 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.503 1.127 . . . . 0.0 110.998 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 3.9 ttpt -103.92 163.75 12.16 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.492 0.76 . . . . 0.0 109.325 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 95.5 m-85 -145.9 168.25 21.28 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.453 1.096 . . . . 0.0 110.976 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.535 HG23 ' O ' ' A' ' 60' ' ' GLY . 6.0 p -137.63 140.68 40.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.527 1.142 . . . . 0.0 109.35 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -99.47 123.82 44.07 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.469 1.106 . . . . 0.0 109.285 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.502 ' CG2' ' O ' ' A' ' 14' ' ' TYR . 46.6 mm -69.98 109.1 2.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.545 1.153 . . . . 0.0 109.309 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 67.5 mt -75.34 -24.27 57.33 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.521 1.138 . . . . 0.0 109.244 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' TYR . . . . . 0.502 ' O ' ' CG2' ' A' ' 12' ' ' ILE . 88.5 m-85 -143.45 138.75 29.51 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.524 1.14 . . . . 0.0 110.969 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 7.3 p30 -65.96 138.19 57.66 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.491 1.119 . . . . 0.0 109.264 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' PHE . . . . . 0.438 ' CD2' HG12 ' A' ' 54' ' ' VAL . 74.7 t80 -131.84 130.02 41.18 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.468 1.105 . . . . 0.0 110.996 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 54.7 m -100.63 104.11 15.42 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.51 1.131 . . . . 0.0 110.379 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.649 ' HB2' ' C ' ' A' ' 24' ' ' LEU . . . -50.04 113.89 0.96 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.539 1.149 . . . . 0.0 109.245 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 12.6 mtt-85 -72.18 -29.25 63.81 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.46 1.1 . . . . 0.0 110.301 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 53.2 m-80 -136.46 -178.6 5.24 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.556 1.16 . . . . 0.0 109.272 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -68.27 -46.26 70.88 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.485 1.116 . . . . 0.0 109.295 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 2.5 p30 -49.4 -30.93 8.61 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.455 1.097 . . . . 0.0 109.316 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 55.3 mt-10 -91.75 146.83 23.45 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.121 . . . . 0.0 110.293 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.649 ' C ' ' HB2' ' A' ' 18' ' ' ALA . 4.5 tp -102.16 142.36 33.54 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.505 1.128 . . . . 0.0 109.286 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 2.4 p -97.75 114.61 26.65 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.513 1.133 . . . . 0.0 109.988 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.424 HG11 ' HG ' ' A' ' 32' ' ' LEU . 31.2 m -131.4 161.93 40.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.551 1.157 . . . . 0.0 109.264 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.481 ' O ' HG21 ' A' ' 12' ' ' ILE . 9.6 mt -108.18 179.05 4.32 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.454 1.096 . . . . 0.0 109.3 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.515 ' O ' ' CB ' ' A' ' 29' ' ' ASP . 27.5 ttmt -85.68 141.12 29.98 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.507 1.129 . . . . 0.0 109.333 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 29' ' ' ASP . . . . . 0.515 ' CB ' ' O ' ' A' ' 28' ' ' LYS . 3.8 m-20 83.48 -6.95 1.15 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.519 1.137 . . . . 0.0 109.307 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 30' ' ' GLU . . . . . 0.451 ' OE2' ' CB ' ' A' ' 27' ' ' LEU . 0.2 OUTLIER -69.06 167.31 16.25 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.504 1.127 . . . . 0.0 110.281 -179.97 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 55.4 t -134.88 113.14 15.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.519 1.137 . . . . 0.0 109.285 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.495 HD23 ' CG1' ' A' ' 12' ' ' ILE . 3.0 mm? -108.14 171.24 7.52 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.487 1.117 . . . . 0.0 109.285 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 4.7 tt0 -107.08 132.66 52.74 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.517 1.136 . . . . 0.0 110.302 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 8.6 p -91.31 130.9 39.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.497 1.123 . . . . 0.0 109.317 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.644 HD11 ' HB2' ' A' ' 45' ' ' ARG . 0.1 OUTLIER -116.17 -45.19 2.85 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.511 1.132 . . . . 0.0 109.278 -179.995 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 5.7 mt-10 -122.47 123.85 42.25 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.49 1.119 . . . . 0.0 110.299 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 1.1 p-10 -129.36 177.88 6.86 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.481 1.113 . . . . 0.0 109.303 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 83.21 15.66 71.37 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.44 1.088 . . . . 0.0 110.992 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -127.12 159.59 33.77 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.464 0.744 . . . . 0.0 110.28 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 31.0 mt-30 -40.93 -63.15 0.7 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.501 1.125 . . . . 0.0 110.312 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 9.8 m95 -106.51 133.18 51.59 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 107.982 -1.118 . . . . 0.0 107.982 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 42' ' ' TRP . . . . . 0.759 ' CE3' HD13 ' A' ' 59' ' ' LEU . 46.3 m0 -80.9 148.79 29.72 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.475 1.109 . . . . 0.0 108.013 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 23.7 tttt -104.61 99.74 9.41 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.534 1.146 . . . . 0.0 109.33 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.771 ' N ' HD22 ' A' ' 44' ' ' LEU . 0.4 OUTLIER -96.27 167.09 11.4 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.469 1.106 . . . . 0.0 109.33 179.989 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 45' ' ' ARG . . . . . 0.644 ' HB2' HD11 ' A' ' 35' ' ' LEU . 28.9 ttm180 -146.81 121.35 9.73 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.464 1.102 . . . . 0.0 110.258 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 5.8 t -75.23 169.64 17.63 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.531 1.145 . . . . 0.0 110.0 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.75 -12.49 61.52 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.482 1.114 . . . . 0.0 110.3 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 3.8 m -73.62 -23.55 59.91 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.51 1.132 . . . . 0.0 110.007 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 107.0 1.38 36.12 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.5 1.125 . . . . 0.0 111.034 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 50' ' ' GLN . . . . . 0.402 ' O ' ' HA ' ' A' ' 45' ' ' ARG . 12.8 mt-30 -81.15 145.09 31.2 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.517 0.775 . . . . 0.0 110.313 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 51' ' ' ALA . . . . . 0.425 ' CA ' HD13 ' A' ' 24' ' ' LEU . . . -138.08 130.12 28.65 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.54 1.15 . . . . 0.0 109.273 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 52' ' ' GLY . . . . . 0.526 ' N ' HD13 ' A' ' 24' ' ' LEU . . . -150.38 172.35 30.18 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.526 1.141 . . . . 0.0 110.989 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 35.3 m-85 -103.13 132.55 49.31 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.489 0.758 . . . . 0.0 111.002 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.755 ' CG2' HD23 ' A' ' 44' ' ' LEU . 0.0 OUTLIER -133.54 162.69 56.12 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.509 1.131 . . . . 0.0 109.329 179.967 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 144.07 29.92 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.558 1.82 . . . . 0.0 110.983 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 56' ' ' CYS . . . . . 0.543 ' HA ' HD12 ' A' ' 59' ' ' LEU . 44.6 t -82.59 -0.1 45.36 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.536 1.148 . . . . 0.0 108.329 179.946 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 9.0 m-20 -72.24 -17.51 61.9 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 0.0 109.284 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 18.5 pt -111.94 -12.83 11.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.508 1.13 . . . . 0.0 109.331 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.759 HD13 ' CE3' ' A' ' 42' ' ' TRP . 88.2 mt -73.85 151.47 40.49 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.478 1.111 . . . . 0.0 109.299 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 60' ' ' GLY . . . . . 0.535 ' O ' HG23 ' A' ' 10' ' ' VAL . . . -137.62 -148.55 5.42 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.508 1.13 . . . . 0.0 110.981 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 61' ' ' GLU . . . . . 0.436 ' OE1' ' N ' ' A' ' 62' ' ' ALA . 3.2 tp10 -119.77 141.55 49.37 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.468 0.746 . . . . 0.0 110.272 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 62' ' ' ALA . . . . . 0.436 ' N ' ' OE1' ' A' ' 61' ' ' GLU . . . -123.0 127.28 48.59 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.448 1.092 . . . . 0.0 109.268 -179.945 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 65.9 p -102.64 137.99 40.13 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.472 1.107 . . . . 0.0 110.008 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -113.34 -167.96 16.8 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.56 1.162 . . . . 0.0 110.982 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.06 145.88 31.77 Favored 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.479 1.779 . . . . 0.0 110.984 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 27.1 p -159.13 161.75 36.36 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.522 1.139 . . . . 0.0 110.025 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 3.1 m -62.68 125.03 22.57 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.545 1.153 . . . . 0.0 110.028 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.977 0 O-C-N 124.554 1.159 . . . . 0.0 111.004 -179.999 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.017 0 N-CA-C 110.985 -0.846 . . . . 0.0 110.985 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 18.0 m -84.71 147.25 27.0 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.525 0.78 . . . . 0.0 109.98 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.3 t -109.24 78.11 1.11 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.455 1.097 . . . . 0.0 110.003 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -96.85 -76.81 1.32 Allowed Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.476 1.11 . . . . 0.0 110.985 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 96.1 p -103.12 146.02 29.03 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.533 0.784 . . . . 0.0 109.986 -179.947 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 7.7 t -106.76 106.26 16.7 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.445 1.091 . . . . 0.0 110.051 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -65.0 151.83 51.31 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.512 1.133 . . . . 0.0 111.045 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -122.15 155.39 35.84 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.483 0.754 . . . . 0.0 109.32 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 47.8 m-85 -145.81 176.52 9.6 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.485 1.116 . . . . 0.0 110.993 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.63 HG21 ' HB3' ' A' ' 59' ' ' LEU . 7.7 p -135.76 141.75 41.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.434 1.084 . . . . 0.0 109.315 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.504 ' CE ' ' HA ' ' A' ' 29' ' ' ASP . 13.4 tptm -101.29 114.92 29.35 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.488 1.118 . . . . 0.0 109.291 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 9.5 mm -64.9 139.89 20.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.536 1.148 . . . . 0.0 109.277 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 53.4 mt -108.24 -20.93 12.98 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.538 1.148 . . . . 0.0 109.267 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 72.0 m-85 -140.42 137.92 34.35 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.469 1.106 . . . . 0.0 111.022 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -71.26 114.36 9.24 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.53 1.144 . . . . 0.0 109.326 -179.953 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 16' ' ' PHE . . . . . 0.6 ' CE2' HG12 ' A' ' 54' ' ' VAL . 74.4 t80 -105.72 145.48 31.04 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.537 1.148 . . . . 0.0 110.963 -179.945 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 47.8 m -118.13 99.19 6.72 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.491 1.12 . . . . 0.0 110.419 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -40.54 114.79 0.49 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.531 1.144 . . . . 0.0 109.289 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -95.5 -13.93 24.11 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.487 1.117 . . . . 0.0 110.29 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 4.2 m-20 -122.43 175.24 6.55 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.522 1.139 . . . . 0.0 109.294 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -80.76 -27.55 36.74 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.503 1.127 . . . . 0.0 109.325 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 43.0 m-20 -92.94 40.07 1.05 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.121 . . . . 0.0 109.316 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 56.4 mt-10 -143.03 156.33 44.81 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.49 1.119 . . . . 0.0 110.325 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.446 ' HB2' ' CA ' ' A' ' 52' ' ' GLY . 6.9 tp -117.25 143.78 45.53 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.494 1.121 . . . . 0.0 109.276 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 12.8 p -98.48 122.2 41.37 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.458 1.099 . . . . 0.0 110.006 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.548 HG11 ' HG ' ' A' ' 32' ' ' LEU . 29.4 m -133.87 148.53 30.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.444 1.09 . . . . 0.0 109.314 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 5.2 mp -93.13 179.07 5.54 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.478 1.111 . . . . 0.0 109.307 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.449 ' O ' ' CB ' ' A' ' 29' ' ' ASP . 0.0 OUTLIER -83.95 137.54 33.58 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.489 1.118 . . . . 0.0 109.29 179.989 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 29' ' ' ASP . . . . . 0.504 ' HA ' ' CE ' ' A' ' 11' ' ' LYS . 0.5 OUTLIER 77.86 18.13 1.25 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.488 1.117 . . . . 0.0 109.317 -179.973 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -97.19 163.44 12.91 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.531 1.144 . . . . 0.0 110.311 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.603 ' C ' HD22 ' A' ' 32' ' ' LEU . 73.3 t -132.77 126.56 54.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.475 1.109 . . . . 0.0 109.314 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.603 HD22 ' C ' ' A' ' 31' ' ' VAL . 2.4 mm? -115.67 178.49 4.29 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.494 1.121 . . . . 0.0 109.308 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -101.41 111.98 24.37 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.507 1.129 . . . . 0.0 110.302 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 7.5 p -76.01 126.53 36.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.514 1.134 . . . . 0.0 109.298 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.646 HD11 ' HB2' ' A' ' 45' ' ' ARG . 0.5 OUTLIER -113.42 -39.83 4.01 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.527 1.142 . . . . 0.0 109.278 -179.978 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 11.4 mm-40 -129.59 124.92 34.97 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.539 1.15 . . . . 0.0 110.334 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 4.7 p-10 -136.22 173.62 11.51 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.463 1.102 . . . . 0.0 109.271 -179.944 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 90.09 -11.29 71.29 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.5 1.125 . . . . 0.0 111.054 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 39' ' ' ARG . . . . . 0.412 ' O ' ' C ' ' A' ' 40' ' ' GLN . 0.1 OUTLIER -103.91 166.16 10.59 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.476 0.751 . . . . 0.0 110.255 -179.979 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 40' ' ' GLN . . . . . 0.412 ' C ' ' O ' ' A' ' 39' ' ' ARG . 0.0 OUTLIER -38.24 -72.55 0.06 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.507 1.13 . . . . 0.0 110.287 -179.993 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 41' ' ' TRP . . . . . 0.579 ' CZ3' ' HD3' ' A' ' 55' ' ' PRO . 11.7 m0 -102.92 136.83 42.01 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 107.995 -1.113 . . . . 0.0 107.995 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 42' ' ' TRP . . . . . 0.753 ' CE3' HD13 ' A' ' 59' ' ' LEU . 38.7 m0 -84.05 162.46 20.34 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.514 1.134 . . . . 0.0 108.065 179.943 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 0.573 ' HB2' ' CE1' ' A' ' 53' ' ' TYR . 22.0 tttt -118.04 99.97 7.24 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.476 1.11 . . . . 0.0 109.275 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.765 HD23 ' CG2' ' A' ' 54' ' ' VAL . 0.2 OUTLIER -96.93 166.61 11.53 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.488 1.117 . . . . 0.0 109.299 179.994 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 45' ' ' ARG . . . . . 0.646 ' HB2' HD11 ' A' ' 35' ' ' LEU . 45.3 ttp85 -134.07 120.03 19.68 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.499 1.124 . . . . 0.0 110.352 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 46' ' ' SER . . . . . 0.55 ' HA ' HD12 ' A' ' 32' ' ' LEU . 4.2 p -67.88 164.19 20.3 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.491 1.119 . . . . 0.0 110.008 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.3 -16.44 63.56 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.481 1.113 . . . . 0.0 110.336 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 1.1 t -73.15 -20.84 60.83 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.489 1.118 . . . . 0.0 109.994 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 106.15 14.39 20.72 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.473 1.108 . . . . 0.0 110.996 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 12.0 mm100 -99.59 138.01 37.28 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.446 0.733 . . . . 0.0 110.316 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -122.54 130.33 52.91 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.525 1.141 . . . . 0.0 109.275 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 52' ' ' GLY . . . . . 0.446 ' CA ' ' HB2' ' A' ' 24' ' ' LEU . . . -150.12 163.12 29.4 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.524 1.14 . . . . 0.0 111.033 179.946 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 53' ' ' TYR . . . . . 0.573 ' CE1' ' HB2' ' A' ' 43' ' ' LYS . 56.8 m-85 -93.51 151.26 19.83 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.555 0.797 . . . . 0.0 111.025 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.765 ' CG2' HD23 ' A' ' 44' ' ' LEU . 0.0 OUTLIER -151.44 164.08 21.45 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.533 1.146 . . . . 0.0 109.25 -179.968 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 55' ' ' PRO . . . . . 0.579 ' HD3' ' CZ3' ' A' ' 41' ' ' TRP . 18.4 Cg_endo -74.99 146.95 33.32 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.463 1.77 . . . . 0.0 111.031 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 30.8 p -84.76 2.17 43.3 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.519 1.137 . . . . 0.0 108.288 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 51.6 t30 -73.79 -19.02 60.89 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.501 1.126 . . . . 0.0 109.306 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 10.3 pt -109.11 -17.22 8.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.49 1.119 . . . . 0.0 109.349 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.753 HD13 ' CE3' ' A' ' 42' ' ' TRP . 92.2 mt -72.03 156.27 39.41 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.525 1.14 . . . . 0.0 109.323 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 60' ' ' GLY . . . . . 0.493 ' O ' HG23 ' A' ' 10' ' ' VAL . . . -144.5 -153.01 5.75 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.545 1.153 . . . . 0.0 110.986 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 21.1 tt0 -109.9 140.51 43.79 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.515 0.773 . . . . 0.0 110.299 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -112.21 144.49 41.51 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.47 1.106 . . . . 0.0 109.3 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 23.3 t -110.53 -53.6 2.67 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.487 1.117 . . . . 0.0 109.97 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 178.92 171.79 42.53 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.565 1.166 . . . . 0.0 111.018 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 60.87 5.54 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.479 1.778 . . . . 0.0 110.986 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 66.07 92.21 0.08 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.464 1.103 . . . . 0.0 109.983 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 82.9 p -158.7 96.26 1.36 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.487 1.117 . . . . 0.0 110.029 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.989 0 O-C-N 124.501 1.125 . . . . 0.0 110.988 -179.945 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.968 0 N-CA-C 110.989 -0.844 . . . . 0.0 110.989 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -67.38 -58.59 4.49 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.483 0.754 . . . . 0.0 109.98 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 64.83 122.03 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.444 1.09 . . . . 0.0 109.972 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 80.54 126.09 0.66 Allowed Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.527 1.142 . . . . 0.0 111.017 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 83.8 p -134.73 116.82 15.33 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.502 0.766 . . . . 0.0 109.986 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 21.7 t -88.27 110.67 20.93 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.469 1.106 . . . . 0.0 109.989 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -149.18 -169.12 15.4 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.492 1.12 . . . . 0.0 110.981 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.515 ' HD3' HG11 ' A' ' 34' ' ' VAL . 3.4 tttt -101.17 148.78 24.69 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.544 0.79 . . . . 0.0 109.304 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 9' ' ' TYR . . . . . 0.506 ' CE1' ' HG2' ' A' ' 33' ' ' GLU . 72.3 m-85 -141.74 157.81 44.58 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.559 1.162 . . . . 0.0 111.017 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.614 HG21 ' HB3' ' A' ' 59' ' ' LEU . 8.9 p -121.8 140.33 46.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.482 1.114 . . . . 0.0 109.256 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.41 ' CE ' ' HA ' ' A' ' 29' ' ' ASP . 4.2 tttt -105.17 104.2 13.89 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.496 1.122 . . . . 0.0 109.31 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.447 HG21 ' O ' ' A' ' 27' ' ' LEU . 39.7 mm -44.36 143.99 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.52 1.137 . . . . 0.0 109.309 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 77.3 mt -108.89 -38.68 5.53 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.49 1.119 . . . . 0.0 109.306 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 82.2 m-85 -128.33 138.22 52.28 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.484 1.115 . . . . 0.0 111.013 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -62.32 108.46 1.1 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.495 1.122 . . . . 0.0 109.329 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 16' ' ' PHE . . . . . 0.648 ' CE2' HG12 ' A' ' 54' ' ' VAL . 63.7 t80 -108.69 136.32 48.47 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.47 1.106 . . . . 0.0 110.975 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 20.0 m -112.72 127.7 56.21 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.471 1.107 . . . . 0.0 110.413 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -58.58 113.38 1.98 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.527 1.142 . . . . 0.0 109.302 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -104.25 10.11 35.77 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.522 1.139 . . . . 0.0 110.312 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 4.9 m-80 -155.04 175.94 13.18 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.501 1.125 . . . . 0.0 109.301 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -73.2 -37.15 66.57 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.439 1.087 . . . . 0.0 109.312 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 80.2 m-20 -89.8 45.81 1.31 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.515 1.134 . . . . 0.0 109.271 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 50.7 mt-10 -146.35 147.87 31.77 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.433 1.083 . . . . 0.0 110.288 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.548 HD13 ' N ' ' A' ' 52' ' ' GLY . 12.9 tp -109.87 151.01 27.57 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.479 1.112 . . . . 0.0 109.345 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 3.0 p -105.68 114.89 29.32 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.515 1.135 . . . . 0.0 109.993 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 34.5 m -128.8 176.6 7.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.466 1.104 . . . . 0.0 109.275 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.447 ' O ' HG21 ' A' ' 12' ' ' ILE . 9.7 mt -127.52 179.39 5.52 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.498 1.124 . . . . 0.0 109.29 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.422 ' HG2' ' N ' ' A' ' 29' ' ' ASP . 1.7 ttmt -82.02 143.12 31.78 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.524 1.14 . . . . 0.0 109.291 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 29' ' ' ASP . . . . . 0.422 ' N ' ' HG2' ' A' ' 28' ' ' LYS . 0.1 OUTLIER 71.0 27.39 3.37 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.535 1.147 . . . . 0.0 109.335 -179.968 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 10.8 mt-10 -107.75 161.94 14.44 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.502 1.126 . . . . 0.0 110.319 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 99.1 t -134.05 118.04 27.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.549 1.156 . . . . 0.0 109.269 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.481 HD12 ' HA ' ' A' ' 46' ' ' SER . 2.9 mm? -108.85 171.36 7.47 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.505 1.128 . . . . 0.0 109.326 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 33' ' ' GLU . . . . . 0.578 ' OE1' HD23 ' A' ' 35' ' ' LEU . 0.3 OUTLIER -93.3 114.24 26.64 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.48 1.112 . . . . 0.0 110.284 -179.986 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.515 HG11 ' HD3' ' A' ' 8' ' ' LYS . 14.4 p -82.76 118.94 31.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.497 1.123 . . . . 0.0 109.322 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.578 HD23 ' OE1' ' A' ' 33' ' ' GLU . 0.7 OUTLIER -104.65 -48.15 3.87 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.47 1.106 . . . . 0.0 109.334 179.954 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -110.37 135.2 51.46 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.517 1.136 . . . . 0.0 110.308 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 1.9 p-10 -146.07 176.44 9.72 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.456 1.098 . . . . 0.0 109.312 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 68.16 17.7 70.3 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.518 1.137 . . . . 0.0 110.991 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 39' ' ' ARG . . . . . 0.403 ' O ' ' C ' ' A' ' 40' ' ' GLN . 0.0 OUTLIER -128.02 166.04 19.16 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.478 0.752 . . . . 0.0 110.299 -179.946 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 40' ' ' GLN . . . . . 0.403 ' C ' ' O ' ' A' ' 39' ' ' ARG . 12.1 mt-30 -38.2 -74.99 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.509 1.131 . . . . 0.0 110.253 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 41' ' ' TRP . . . . . 0.524 ' CZ3' ' HD3' ' A' ' 55' ' ' PRO . 11.1 m95 -105.66 138.27 42.14 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.495 1.122 . . . . 0.0 107.998 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 42' ' ' TRP . . . . . 0.676 ' CE3' HD13 ' A' ' 59' ' ' LEU . 42.3 m0 -84.01 161.0 20.89 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 107.991 -1.114 . . . . 0.0 107.991 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 0.571 ' HB2' ' CE1' ' A' ' 53' ' ' TYR . 12.3 tttp -119.73 99.69 6.8 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.513 1.133 . . . . 0.0 109.278 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.793 HD23 ' CG2' ' A' ' 54' ' ' VAL . 0.5 OUTLIER -93.9 166.9 11.95 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.544 1.153 . . . . 0.0 109.285 179.992 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 12.0 ttp85 -143.06 126.14 16.37 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.469 1.106 . . . . 0.0 110.263 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 46' ' ' SER . . . . . 0.481 ' HA ' HD12 ' A' ' 32' ' ' LEU . 0.2 OUTLIER -84.74 166.87 16.64 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.534 1.147 . . . . 0.0 109.999 179.993 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.9 -12.75 60.43 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.516 1.135 . . . . 0.0 110.248 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -74.89 -2.19 25.78 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.521 1.138 . . . . 0.0 110.041 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 85.4 -0.32 88.48 Favored Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.482 1.114 . . . . 0.0 110.992 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 1.4 mt-30 -88.71 148.9 23.75 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.53 0.782 . . . . 0.0 110.268 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 51' ' ' ALA . . . . . 0.438 ' C ' HD13 ' A' ' 24' ' ' LEU . . . -145.74 130.22 17.82 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.494 1.121 . . . . 0.0 109.331 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 52' ' ' GLY . . . . . 0.548 ' N ' HD13 ' A' ' 24' ' ' LEU . . . -141.92 170.56 24.84 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.49 1.119 . . . . 0.0 111.001 -179.946 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 53' ' ' TYR . . . . . 0.571 ' CE1' ' HB2' ' A' ' 43' ' ' LYS . 39.7 m-85 -96.07 145.67 25.28 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.502 0.766 . . . . 0.0 111.023 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.793 ' CG2' HD23 ' A' ' 44' ' ' LEU . 0.0 OUTLIER -149.73 164.75 19.59 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.505 1.128 . . . . 0.0 109.325 179.965 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 55' ' ' PRO . . . . . 0.524 ' HD3' ' CZ3' ' A' ' 41' ' ' TRP . 18.3 Cg_endo -75.03 143.71 29.26 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.479 1.779 . . . . 0.0 111.012 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 56' ' ' CYS . . . . . 0.518 ' HA ' HD12 ' A' ' 59' ' ' LEU . 30.5 p -80.15 -2.0 42.74 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.536 1.147 . . . . 0.0 108.315 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 2.0 t-20 -68.25 -33.67 74.81 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.499 1.124 . . . . 0.0 109.329 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 0.456 HD12 ' HB2' ' A' ' 16' ' ' PHE . 8.4 pt -93.1 -21.54 6.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.535 1.147 . . . . 0.0 109.322 179.931 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.676 HD13 ' CE3' ' A' ' 42' ' ' TRP . 67.4 mt -73.69 159.53 32.88 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.477 1.111 . . . . 0.0 109.335 179.952 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -155.22 148.02 17.76 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.523 1.14 . . . . 0.0 111.011 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 1.2 pt-20 -60.93 128.22 35.39 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.486 0.757 . . . . 0.0 110.331 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 62' ' ' ALA . . . . . 0.467 ' HB3' ' O ' ' A' ' 9' ' ' TYR . . . -100.49 159.74 14.9 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.55 1.156 . . . . 0.0 109.323 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 94.9 p -44.27 123.04 3.25 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.492 1.12 . . . . 0.0 110.027 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -172.15 -179.72 43.23 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.447 1.092 . . . . 0.0 110.994 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -33.99 4.15 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.531 1.806 . . . . 0.0 110.979 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 33.7 m 61.1 -92.06 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.512 1.133 . . . . 0.0 110.01 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -105.86 97.41 7.24 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.451 1.094 . . . . 0.0 109.962 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.972 0 O-C-N 124.527 1.142 . . . . 0.0 111.009 179.985 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.99 0 N-CA-C 111.002 -0.839 . . . . 0.0 111.002 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 99.2 p -151.42 139.11 19.73 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.511 0.771 . . . . 0.0 109.945 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.7 m 57.05 89.85 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.46 1.1 . . . . 0.0 110.014 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 125.16 140.08 5.35 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.533 1.146 . . . . 0.0 110.971 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 73.6 p -98.85 99.68 10.78 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.504 0.767 . . . . 0.0 110.019 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 73.57 -66.98 0.28 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.487 1.117 . . . . 0.0 110.018 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 106.69 -176.58 21.54 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.517 1.136 . . . . 0.0 111.012 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.549 ' O ' HG12 ' A' ' 34' ' ' VAL . 0.2 OUTLIER -119.99 157.74 28.22 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.485 0.756 . . . . 0.0 109.329 -179.997 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 9' ' ' TYR . . . . . 0.549 ' CE2' ' HG2' ' A' ' 33' ' ' GLU . 73.4 m-85 -137.37 175.51 9.54 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.488 1.118 . . . . 0.0 111.006 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.61 HG21 ' HB3' ' A' ' 59' ' ' LEU . 3.5 p -140.84 131.26 27.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.481 1.113 . . . . 0.0 109.308 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.471 ' CE ' ' HA ' ' A' ' 29' ' ' ASP . 0.0 OUTLIER -96.7 106.28 18.53 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.462 1.102 . . . . 0.0 109.327 -179.995 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.488 HD13 HD23 ' A' ' 59' ' ' LEU . 50.2 mm -49.39 141.1 2.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.561 1.163 . . . . 0.0 109.273 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 34.3 mt -105.05 -35.64 7.57 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.487 1.117 . . . . 0.0 109.274 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 97.2 m-85 -126.6 142.03 51.67 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.532 1.145 . . . . 0.0 110.986 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' ASP . . . . . 0.476 ' HB3' HD12 ' A' ' 27' ' ' LEU . 1.4 p30 -71.56 120.53 17.28 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.483 1.114 . . . . 0.0 109.264 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 53.9 t80 -120.66 147.37 45.34 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.515 1.134 . . . . 0.0 110.928 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 97.7 m -112.58 132.74 54.98 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.519 1.137 . . . . 0.0 110.393 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.416 ' HB2' ' N ' ' A' ' 25' ' ' SER . . . -75.99 116.88 17.13 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.5 1.125 . . . . 0.0 109.294 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -80.31 -25.1 39.51 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.552 1.157 . . . . 0.0 110.248 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 7.4 m-80 -145.64 -178.32 6.03 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.536 1.148 . . . . 0.0 109.291 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -70.25 -29.93 66.86 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.44 1.088 . . . . 0.0 109.281 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 13.9 t30 -63.66 -13.32 41.6 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.472 1.108 . . . . 0.0 109.295 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 -115.19 154.67 28.58 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.536 1.148 . . . . 0.0 110.303 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.481 ' HB2' ' CA ' ' A' ' 52' ' ' GLY . 5.0 tp -114.19 131.26 56.52 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.494 1.121 . . . . 0.0 109.277 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 25' ' ' SER . . . . . 0.416 ' N ' ' HB2' ' A' ' 18' ' ' ALA . 4.0 p -81.36 117.03 21.49 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.465 1.103 . . . . 0.0 109.962 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 18.4 m -124.27 176.86 5.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.467 1.104 . . . . 0.0 109.294 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.476 HD12 ' HB3' ' A' ' 15' ' ' ASP . 61.6 tp -132.12 168.76 17.42 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.517 1.135 . . . . 0.0 109.294 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.475 ' O ' ' CB ' ' A' ' 29' ' ' ASP . 0.0 OUTLIER -79.11 133.13 36.77 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.533 1.145 . . . . 0.0 109.246 -179.965 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 29' ' ' ASP . . . . . 0.475 ' CB ' ' O ' ' A' ' 28' ' ' LYS . 4.1 t70 80.34 28.96 0.25 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.484 1.115 . . . . 0.0 109.283 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 6.6 mt-10 -109.4 167.38 10.16 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.488 1.118 . . . . 0.0 110.305 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 45.9 t -133.28 113.41 19.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.527 1.142 . . . . 0.0 109.282 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.453 HD23 ' CG1' ' A' ' 12' ' ' ILE . 3.2 mm? -105.82 170.69 7.75 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.532 1.145 . . . . 0.0 109.321 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 33' ' ' GLU . . . . . 0.549 ' HG2' ' CE2' ' A' ' 9' ' ' TYR . 0.9 OUTLIER -99.47 124.42 44.62 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.466 1.104 . . . . 0.0 110.275 -179.977 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.549 HG12 ' O ' ' A' ' 8' ' ' LYS . 8.9 p -90.7 123.07 42.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.522 1.139 . . . . 0.0 109.337 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.423 HD11 ' HB2' ' A' ' 45' ' ' ARG . 0.5 OUTLIER -112.49 -40.42 4.1 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.462 1.101 . . . . 0.0 109.273 -179.953 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -126.17 127.8 46.28 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.544 1.153 . . . . 0.0 110.316 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 3.1 p-10 -142.73 -179.64 6.45 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.515 1.134 . . . . 0.0 109.283 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 97.46 -6.42 63.16 Favored Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.505 1.128 . . . . 0.0 111.012 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 3.9 ttt85 -116.51 164.53 14.44 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.555 0.797 . . . . 0.0 110.333 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 27.7 mt-30 -41.45 -68.3 0.19 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.489 1.118 . . . . 0.0 110.287 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 41' ' ' TRP . . . . . 0.455 ' CE3' ' C ' ' A' ' 54' ' ' VAL . 13.2 m95 -97.13 131.25 44.07 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.523 1.14 . . . . 0.0 107.986 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 42' ' ' TRP . . . . . 0.608 ' CE3' HD13 ' A' ' 59' ' ' LEU . 38.2 m0 -90.13 159.66 16.67 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.506 1.129 . . . . 0.0 107.979 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 0.402 ' HB2' ' CE1' ' A' ' 53' ' ' TYR . 14.8 tttt -109.66 99.85 8.97 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.509 1.131 . . . . 0.0 109.269 -179.939 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.753 ' N ' HD22 ' A' ' 44' ' ' LEU . 0.5 OUTLIER -96.82 167.14 11.28 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.493 1.12 . . . . 0.0 109.345 179.972 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 45' ' ' ARG . . . . . 0.423 ' HB2' HD11 ' A' ' 35' ' ' LEU . 24.3 ttp180 -136.85 129.46 30.32 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.494 1.121 . . . . 0.0 110.338 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 27.6 p -77.57 165.82 23.82 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.555 1.159 . . . . 0.0 110.031 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 4.7 mmm180 -68.95 -11.68 60.92 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.514 1.134 . . . . 0.0 110.239 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -78.23 -16.48 57.79 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.488 1.117 . . . . 0.0 109.961 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 102.69 5.97 47.34 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.483 1.114 . . . . 0.0 110.995 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 30.4 mm-40 -88.1 141.79 28.29 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.516 0.774 . . . . 0.0 110.309 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -127.79 129.14 46.52 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.453 1.096 . . . . 0.0 109.336 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 52' ' ' GLY . . . . . 0.481 ' CA ' ' HB2' ' A' ' 24' ' ' LEU . . . -150.25 168.09 30.2 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.435 1.084 . . . . 0.0 110.989 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 53' ' ' TYR . . . . . 0.402 ' CE1' ' HB2' ' A' ' 43' ' ' LYS . 59.8 m-85 -96.2 153.35 17.85 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.521 0.777 . . . . 0.0 111.011 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.7 ' CG2' HD23 ' A' ' 44' ' ' LEU . 0.0 OUTLIER -152.97 167.02 14.2 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.468 1.105 . . . . 0.0 109.269 -179.995 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 55' ' ' PRO . . . . . 0.405 ' HB2' ' ND2' ' A' ' 57' ' ' ASN . 18.3 Cg_endo -75.01 150.98 38.89 Favored 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.48 1.779 . . . . 0.0 111.002 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 30.9 p -92.34 -15.48 27.27 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.459 1.1 . . . . 0.0 108.299 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 57' ' ' ASN . . . . . 0.771 ' OD1' HG23 ' A' ' 58' ' ' ILE . 4.0 p30 -65.14 -12.14 47.8 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.53 1.144 . . . . 0.0 109.3 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 0.771 HG23 ' OD1' ' A' ' 57' ' ' ASN . 29.1 pt -108.75 -28.79 2.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.48 1.113 . . . . 0.0 109.329 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.61 ' HB3' HG21 ' A' ' 10' ' ' VAL . 85.3 mt -64.3 171.12 3.27 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.49 1.119 . . . . 0.0 109.293 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 60' ' ' GLY . . . . . 0.417 ' H ' HG22 ' A' ' 10' ' ' VAL . . . -155.2 -146.47 4.44 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.459 1.099 . . . . 0.0 111.014 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 25.4 tt0 -118.28 142.99 46.93 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.547 0.793 . . . . 0.0 110.34 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -122.05 125.94 47.34 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.533 1.146 . . . . 0.0 109.299 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 70.68 85.83 0.13 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.487 1.117 . . . . 0.0 109.973 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -51.47 157.2 3.01 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.501 1.126 . . . . 0.0 110.988 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 98.44 1.16 Allowed 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.502 1.79 . . . . 0.0 111.006 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 41.31 91.0 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.448 1.092 . . . . 0.0 110.005 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -165.05 157.11 15.5 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.517 1.136 . . . . 0.0 109.982 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.985 0 O-C-N 124.526 1.141 . . . . 0.0 110.994 179.98 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.006 0 N-CA-C 110.961 -0.856 . . . . 0.0 110.961 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 13.9 m -51.45 -58.27 6.74 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.484 0.755 . . . . 0.0 109.972 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -171.08 -58.08 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.521 1.138 . . . . 0.0 110.016 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 146.01 67.3 0.01 OUTLIER Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.482 1.114 . . . . 0.0 111.03 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.6 m 63.28 133.42 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.495 0.762 . . . . 0.0 110.001 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 60.7 p -54.9 126.8 25.87 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.485 1.116 . . . . 0.0 110.016 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -90.12 -160.69 36.76 Favored Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.552 1.158 . . . . 0.0 110.959 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -113.3 160.58 18.19 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.552 0.795 . . . . 0.0 109.314 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 74.6 m-85 -139.12 164.15 30.54 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.499 1.124 . . . . 0.0 110.952 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 8.5 p -128.7 137.43 57.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.46 1.1 . . . . 0.0 109.327 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.553 ' N ' ' HB2' ' A' ' 62' ' ' ALA . 4.0 tttt -98.41 111.02 23.51 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.424 1.078 . . . . 0.0 109.309 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 43.5 mm -60.46 133.39 26.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.451 1.094 . . . . 0.0 109.303 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.535 ' HB2' ' CD1' ' A' ' 14' ' ' TYR . 71.3 mt -97.11 -34.25 11.22 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.123 . . . . 0.0 109.303 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 14' ' ' TYR . . . . . 0.535 ' CD1' ' HB2' ' A' ' 13' ' ' LEU . 10.2 m-85 -131.26 133.23 45.23 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.495 1.122 . . . . 0.0 110.981 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 1.2 p30 -63.85 113.73 3.61 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.496 1.123 . . . . 0.0 109.329 179.936 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' PHE . . . . . 0.5 ' CE2' HG12 ' A' ' 54' ' ' VAL . 87.1 t80 -104.09 146.71 28.34 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.513 1.133 . . . . 0.0 110.995 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 5.7 m -118.35 110.22 17.22 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.52 1.138 . . . . 0.0 110.385 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -43.35 114.05 0.58 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.506 1.129 . . . . 0.0 109.312 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -103.64 12.19 35.16 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.487 1.117 . . . . 0.0 110.318 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 1.4 m120 -158.78 169.81 23.54 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.566 1.166 . . . . 0.0 109.316 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -70.06 -32.5 70.62 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.456 1.097 . . . . 0.0 109.276 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 39.9 m-20 -92.06 42.79 1.11 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.444 1.09 . . . . 0.0 109.276 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 41.5 mt-10 -146.14 146.19 30.77 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.511 1.132 . . . . 0.0 110.323 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.475 ' HB2' ' CA ' ' A' ' 52' ' ' GLY . 4.8 tp -108.87 145.53 35.18 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.481 1.113 . . . . 0.0 109.362 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 7.2 p -98.89 119.97 38.56 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.5 1.125 . . . . 0.0 110.0 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.562 ' C ' HD22 ' A' ' 27' ' ' LEU . 26.6 m -133.39 156.27 41.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.534 1.146 . . . . 0.0 109.318 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.562 HD22 ' C ' ' A' ' 26' ' ' VAL . 1.2 mm? -105.87 179.14 4.36 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.545 1.153 . . . . 0.0 109.281 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.402 ' HG2' ' N ' ' A' ' 29' ' ' ASP . 7.2 ttmt -81.4 142.84 32.61 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.529 1.143 . . . . 0.0 109.31 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 29' ' ' ASP . . . . . 0.402 ' N ' ' HG2' ' A' ' 28' ' ' LYS . 16.9 t0 72.01 28.47 2.54 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.494 1.121 . . . . 0.0 109.33 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 17.3 mt-10 -107.84 162.03 14.37 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.531 1.144 . . . . 0.0 110.305 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.429 ' C ' HD22 ' A' ' 32' ' ' LEU . 73.5 t -133.95 119.91 33.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.496 1.122 . . . . 0.0 109.262 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.572 HD12 ' HA ' ' A' ' 46' ' ' SER . 2.4 mm? -108.8 178.39 4.49 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.472 1.107 . . . . 0.0 109.295 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 33' ' ' GLU . . . . . 0.41 ' HG2' HD23 ' A' ' 35' ' ' LEU . 4.7 tt0 -104.4 104.11 13.92 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.513 1.133 . . . . 0.0 110.294 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.426 HG13 ' O ' ' A' ' 34' ' ' VAL . 14.6 p -68.1 117.31 9.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.451 1.094 . . . . 0.0 109.295 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.676 HD11 ' HB2' ' A' ' 45' ' ' ARG . 1.2 mt -98.25 -47.97 5.25 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.524 1.14 . . . . 0.0 109.322 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 7.7 mm-40 -128.04 124.28 36.72 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.542 1.151 . . . . 0.0 110.256 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -135.51 -177.91 4.88 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.527 1.142 . . . . 0.0 109.313 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 90.85 -10.02 76.08 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.497 1.123 . . . . 0.0 111.059 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 4.6 ttt85 -109.35 165.42 11.64 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.465 0.744 . . . . 0.0 110.273 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 25.7 mt-30 -38.92 -63.78 0.5 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.52 1.138 . . . . 0.0 110.279 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 41' ' ' TRP . . . . . 0.427 ' CE3' ' C ' ' A' ' 54' ' ' VAL . 13.1 m95 -105.47 132.67 51.36 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.52 1.137 . . . . 0.0 108.048 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 42' ' ' TRP . . . . . 0.813 ' CE3' HD13 ' A' ' 59' ' ' LEU . 43.9 m0 -87.51 163.57 16.6 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.575 1.172 . . . . 0.0 108.024 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 0.538 ' HB2' ' CE1' ' A' ' 53' ' ' TYR . 56.4 tttt -115.48 99.84 7.65 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.501 1.126 . . . . 0.0 109.267 -179.946 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.809 HD23 ' CG2' ' A' ' 54' ' ' VAL . 0.1 OUTLIER -102.06 164.09 11.89 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.546 1.154 . . . . 0.0 109.24 -179.98 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 45' ' ' ARG . . . . . 0.676 ' HB2' HD11 ' A' ' 35' ' ' LEU . 23.0 ttp180 -131.57 135.58 47.12 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.515 1.134 . . . . 0.0 110.316 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 46' ' ' SER . . . . . 0.572 ' HA ' HD12 ' A' ' 32' ' ' LEU . 96.3 p -85.01 165.39 17.59 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.49 1.119 . . . . 0.0 110.016 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.89 -15.78 63.59 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.491 1.12 . . . . 0.0 110.293 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -75.95 -1.59 26.33 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.51 1.131 . . . . 0.0 109.983 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 82.7 29.79 34.42 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.555 1.16 . . . . 0.0 110.958 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 50' ' ' GLN . . . . . 0.466 ' O ' ' CG ' ' A' ' 45' ' ' ARG . 14.1 mm100 -112.97 153.69 27.64 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.502 0.766 . . . . 0.0 110.334 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 51' ' ' ALA . . . . . 0.437 ' CA ' HD13 ' A' ' 24' ' ' LEU . . . -137.37 129.47 29.24 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.524 1.14 . . . . 0.0 109.294 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 52' ' ' GLY . . . . . 0.475 ' CA ' ' HB2' ' A' ' 24' ' ' LEU . . . -150.24 153.69 25.21 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.509 1.131 . . . . 0.0 110.996 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 53' ' ' TYR . . . . . 0.538 ' CE1' ' HB2' ' A' ' 43' ' ' LYS . 41.6 m-85 -85.79 144.14 27.91 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.484 0.755 . . . . 0.0 110.974 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.809 ' CG2' HD23 ' A' ' 44' ' ' LEU . 0.0 OUTLIER -143.9 165.89 22.09 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.478 1.111 . . . . 0.0 109.311 179.971 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 144.59 30.43 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.527 1.804 . . . . 0.0 111.058 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 26.9 p -83.27 0.48 45.44 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.533 1.146 . . . . 0.0 108.327 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -71.76 -29.14 64.17 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.479 1.112 . . . . 0.0 109.309 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 0.44 HD12 ' HB2' ' A' ' 16' ' ' PHE . 9.0 pt -97.44 -21.73 5.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.446 1.092 . . . . 0.0 109.302 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.813 HD13 ' CE3' ' A' ' 42' ' ' TRP . 86.1 mt -65.33 164.25 13.95 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.477 1.111 . . . . 0.0 109.317 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -171.04 150.12 13.37 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.517 1.136 . . . . 0.0 110.959 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 61' ' ' GLU . . . . . 0.447 ' O ' ' CG ' ' A' ' 61' ' ' GLU . 4.9 pt-20 -60.94 120.62 10.56 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.507 0.769 . . . . 0.0 110.303 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 62' ' ' ALA . . . . . 0.553 ' HB2' ' N ' ' A' ' 11' ' ' LYS . . . -92.99 139.54 30.41 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.522 1.139 . . . . 0.0 109.315 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -142.93 142.0 31.59 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.451 1.094 . . . . 0.0 110.007 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -124.84 160.16 19.46 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.537 1.148 . . . . 0.0 110.977 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 -58.56 0.05 OUTLIER 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.526 1.803 . . . . 0.0 111.0 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 70.11 134.21 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.474 1.109 . . . . 0.0 110.029 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 95.8 p -60.52 141.7 56.21 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.504 1.127 . . . . 0.0 109.99 -179.941 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.996 0 O-C-N 124.475 1.109 . . . . 0.0 111.009 -179.968 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.98 0 N-CA-C 111.028 -0.829 . . . . 0.0 111.028 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -160.98 105.42 1.35 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.509 0.77 . . . . 0.0 110.008 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 60.4 p -144.6 97.11 2.98 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.542 1.151 . . . . 0.0 109.998 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -83.97 -114.83 0.63 Allowed Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.44 1.088 . . . . 0.0 111.016 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 7.5 t -57.74 158.83 5.82 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.532 0.783 . . . . 0.0 110.039 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 10.0 t -173.61 85.77 0.05 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.54 1.15 . . . . 0.0 109.969 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -167.83 78.85 0.11 Allowed Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.534 1.146 . . . . 0.0 110.999 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -86.18 168.15 14.25 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.436 0.727 . . . . 0.0 109.294 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 66.1 m-85 -144.4 161.73 38.27 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.497 1.123 . . . . 0.0 110.987 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.519 HG21 ' HB3' ' A' ' 59' ' ' LEU . 14.5 p -133.81 147.53 30.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.515 1.134 . . . . 0.0 109.308 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.455 ' CE ' ' HA ' ' A' ' 29' ' ' ASP . 14.1 tttt -107.23 127.38 53.48 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.532 1.145 . . . . 0.0 109.309 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.605 HD11 HD23 ' A' ' 32' ' ' LEU . 22.9 mm -72.67 127.34 34.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.541 1.151 . . . . 0.0 109.273 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 70.5 mt -94.61 -21.8 18.58 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.525 1.141 . . . . 0.0 109.283 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' TYR . . . . . 0.459 ' O ' ' CG2' ' A' ' 12' ' ' ILE . 97.3 m-85 -142.44 143.55 32.67 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.47 1.107 . . . . 0.0 111.006 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -72.62 110.94 7.35 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.487 1.117 . . . . 0.0 109.268 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 16' ' ' PHE . . . . . 0.649 ' CD2' HG12 ' A' ' 54' ' ' VAL . 68.0 t80 -109.6 141.31 42.3 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.49 1.119 . . . . 0.0 111.044 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 3.9 m -120.43 118.92 31.55 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.556 1.16 . . . . 0.0 110.406 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -40.38 115.62 0.58 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.499 1.124 . . . . 0.0 109.285 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 30.7 mtt180 -94.79 -11.22 29.35 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.484 1.115 . . . . 0.0 110.335 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -140.22 -172.21 3.37 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.447 1.092 . . . . 0.0 109.299 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -79.38 -28.49 41.88 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.482 1.114 . . . . 0.0 109.308 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 7.5 m120 -96.72 43.02 1.08 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.511 1.132 . . . . 0.0 109.285 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 41.7 mt-10 -137.67 159.72 41.18 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.512 1.133 . . . . 0.0 110.256 -180.0 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.431 HD13 ' N ' ' A' ' 52' ' ' GLY . 7.2 tp -122.58 142.94 50.09 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.494 1.121 . . . . 0.0 109.263 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 2.3 p -99.59 115.06 28.52 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.513 1.133 . . . . 0.0 110.023 179.936 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 33.7 m -134.68 158.56 41.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.524 1.14 . . . . 0.0 109.324 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.51 ' O ' HG21 ' A' ' 12' ' ' ILE . 3.2 mm? -101.34 178.96 4.5 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.496 1.122 . . . . 0.0 109.295 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.535 ' O ' ' CB ' ' A' ' 29' ' ' ASP . 0.0 OUTLIER -87.29 141.47 28.62 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.523 1.139 . . . . 0.0 109.272 -179.973 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 29' ' ' ASP . . . . . 0.535 ' CB ' ' O ' ' A' ' 28' ' ' LYS . 17.6 t0 84.8 -9.47 0.87 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.499 1.124 . . . . 0.0 109.315 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 30' ' ' GLU . . . . . 0.463 ' OE2' ' CB ' ' A' ' 27' ' ' LEU . 0.2 OUTLIER -68.77 167.53 15.24 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.5 1.125 . . . . 0.0 110.286 -179.962 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.523 ' C ' HD22 ' A' ' 32' ' ' LEU . 54.4 t -134.47 121.72 37.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.485 1.116 . . . . 0.0 109.294 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.605 HD23 HD11 ' A' ' 12' ' ' ILE . 2.8 mm? -113.24 176.36 5.06 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.466 1.104 . . . . 0.0 109.282 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 33' ' ' GLU . . . . . 0.438 ' HG2' ' CD2' ' A' ' 35' ' ' LEU . 8.3 tt0 -108.01 118.82 37.75 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.48 1.113 . . . . 0.0 110.288 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 8.8 p -80.17 132.2 32.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.531 1.144 . . . . 0.0 109.293 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.5 HD11 ' HB2' ' A' ' 45' ' ' ARG . 0.6 OUTLIER -117.0 -51.12 2.57 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.562 1.164 . . . . 0.0 109.266 -179.955 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 7.0 mm-40 -116.69 124.15 48.99 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.506 1.129 . . . . 0.0 110.301 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 1.1 p-10 -133.63 173.62 11.31 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.473 1.108 . . . . 0.0 109.312 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 99.42 -13.98 61.1 Favored Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.431 1.082 . . . . 0.0 110.998 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -107.4 165.15 11.6 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.462 0.743 . . . . 0.0 110.254 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -45.47 -67.79 0.25 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.465 1.103 . . . . 0.0 110.35 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 41' ' ' TRP . . . . . 0.441 ' CE3' ' C ' ' A' ' 54' ' ' VAL . 19.0 m95 -93.08 133.67 36.0 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.518 1.136 . . . . 0.0 108.014 179.943 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 42' ' ' TRP . . . . . 0.794 ' CE3' HD13 ' A' ' 59' ' ' LEU . 47.0 m0 -90.08 162.91 15.09 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.502 1.126 . . . . 0.0 107.969 -179.952 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 10.4 tttp -115.0 99.75 7.68 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.532 1.145 . . . . 0.0 109.277 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.812 HD23 ' CG2' ' A' ' 54' ' ' VAL . 0.1 OUTLIER -102.54 160.85 14.2 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.534 1.147 . . . . 0.0 109.293 179.969 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 45' ' ' ARG . . . . . 0.5 ' HB2' HD11 ' A' ' 35' ' ' LEU . 15.1 ttp180 -132.71 122.67 24.94 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.497 1.123 . . . . 0.0 110.283 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 46' ' ' SER . . . . . 0.517 ' HA ' HD12 ' A' ' 32' ' ' LEU . 1.5 t -67.91 163.31 22.31 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.476 1.11 . . . . 0.0 110.024 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.32 -22.89 63.74 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.465 1.103 . . . . 0.0 110.276 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -68.03 -20.14 64.97 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.486 1.116 . . . . 0.0 110.029 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 108.26 -11.75 36.82 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.467 1.104 . . . . 0.0 110.981 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 50' ' ' GLN . . . . . 0.494 ' O ' ' CG ' ' A' ' 45' ' ' ARG . 5.8 mm-40 -64.59 152.61 41.63 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.466 0.744 . . . . 0.0 110.32 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -138.44 130.37 28.21 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.438 1.086 . . . . 0.0 109.271 -179.945 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 52' ' ' GLY . . . . . 0.431 ' N ' HD13 ' A' ' 24' ' ' LEU . . . -149.96 175.05 29.25 Favored Glycine 0 CA--C 1.531 1.066 0 O-C-N 124.485 1.115 . . . . 0.0 111.005 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 38.2 m-85 -105.86 143.43 34.02 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.527 0.781 . . . . 0.0 111.009 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.812 ' CG2' HD23 ' A' ' 44' ' ' LEU . 0.0 OUTLIER -145.01 165.45 22.15 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.513 1.133 . . . . 0.0 109.277 -179.957 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 146.66 33.13 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.5 1.79 . . . . 0.0 111.015 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 56' ' ' CYS . . . . . 0.449 ' HA ' HD12 ' A' ' 59' ' ' LEU . 30.0 p -83.82 0.59 46.86 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 0.0 108.33 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 23.8 m-20 -74.31 -26.2 60.03 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.477 1.111 . . . . 0.0 109.296 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 19.4 pt -98.82 -25.15 4.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.476 1.11 . . . . 0.0 109.319 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.794 HD13 ' CE3' ' A' ' 42' ' ' TRP . 74.0 mt -68.17 154.29 42.01 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.509 1.13 . . . . 0.0 109.288 -179.95 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -156.46 151.67 23.09 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.449 1.093 . . . . 0.0 111.045 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 1.3 pm0 -60.79 138.61 58.1 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.456 0.739 . . . . 0.0 110.35 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -112.44 156.28 22.82 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.549 1.155 . . . . 0.0 109.356 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 5.9 t -111.32 73.53 0.82 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.476 1.11 . . . . 0.0 110.013 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -79.02 164.96 50.46 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.504 1.128 . . . . 0.0 111.005 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 146.95 33.14 Favored 'Trans proline' 0 C--N 1.361 1.184 0 O-C-N 124.493 1.786 . . . . 0.0 110.948 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 69.6 m -114.45 -56.66 2.36 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.533 1.146 . . . . 0.0 110.056 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 23.1 t -76.72 165.06 25.25 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.476 1.11 . . . . 0.0 110.012 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.993 0 O-C-N 124.523 1.139 . . . . 0.0 110.995 -179.963 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.975 0 N-CA-C 111.043 -0.823 . . . . 0.0 111.043 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.5 t -118.66 164.93 14.62 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.505 0.768 . . . . 0.0 110.021 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.1 m -40.15 -63.48 0.61 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.493 1.12 . . . . 0.0 109.978 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 61.39 69.14 1.38 Allowed Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.518 1.136 . . . . 0.0 111.001 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.3 t 63.11 88.39 0.1 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.483 0.755 . . . . 0.0 110.025 180.0 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.3 m -76.6 150.03 36.51 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.508 1.13 . . . . 0.0 109.952 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 170.4 -135.85 3.71 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.488 1.117 . . . . 0.0 110.979 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -120.4 167.83 11.93 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.516 0.774 . . . . 0.0 109.283 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 91.5 m-85 -143.66 168.59 19.54 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.427 1.079 . . . . 0.0 111.025 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.762 HG21 ' HB3' ' A' ' 59' ' ' LEU . 4.9 p -134.17 135.58 54.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.495 1.122 . . . . 0.0 109.269 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 12.5 tttt -93.07 121.67 34.65 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.501 1.125 . . . . 0.0 109.279 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.563 HG21 ' O ' ' A' ' 27' ' ' LEU . 34.4 mm -66.38 111.26 1.65 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.5 1.125 . . . . 0.0 109.311 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 87.1 mt -76.6 -28.53 56.18 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.539 1.149 . . . . 0.0 109.3 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' TYR . . . . . 0.463 ' O ' ' CG2' ' A' ' 12' ' ' ILE . 71.1 m-85 -142.2 145.07 33.73 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.549 1.156 . . . . 0.0 110.964 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 15' ' ' ASP . . . . . 0.411 ' N ' ' HB2' ' A' ' 28' ' ' LYS . 5.2 p-10 -72.28 125.28 26.95 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.487 1.117 . . . . 0.0 109.264 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 16' ' ' PHE . . . . . 0.532 ' CE2' HG12 ' A' ' 54' ' ' VAL . 81.6 t80 -125.19 145.0 50.17 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.505 1.128 . . . . 0.0 110.969 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 3.5 m -121.92 114.5 21.08 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.451 1.095 . . . . 0.0 110.424 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -40.37 116.18 0.65 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.449 1.093 . . . . 0.0 109.265 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 25.7 mmm180 -93.93 -14.67 25.73 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.504 1.128 . . . . 0.0 110.263 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -132.42 -175.25 3.69 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.528 1.142 . . . . 0.0 109.3 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -80.21 -28.23 38.68 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.52 1.137 . . . . 0.0 109.321 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 22.5 m-80 -93.04 42.61 1.1 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.544 1.153 . . . . 0.0 109.318 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 8.3 mt-10 -142.43 162.04 36.49 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.465 1.103 . . . . 0.0 110.303 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.486 HD13 ' N ' ' A' ' 52' ' ' GLY . 4.0 tp -123.63 143.49 50.2 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.485 1.116 . . . . 0.0 109.311 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 2.3 p -94.99 114.39 26.19 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.515 1.134 . . . . 0.0 109.968 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.412 HG23 HG21 ' A' ' 12' ' ' ILE . 5.4 m -123.51 172.83 10.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.477 1.111 . . . . 0.0 109.303 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.563 ' O ' HG21 ' A' ' 12' ' ' ILE . 58.9 tp -120.98 168.08 11.89 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.493 1.121 . . . . 0.0 109.292 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.49 ' O ' ' CB ' ' A' ' 29' ' ' ASP . 0.0 OUTLIER -82.85 140.12 33.09 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.553 1.158 . . . . 0.0 109.325 -179.998 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 29' ' ' ASP . . . . . 0.49 ' CB ' ' O ' ' A' ' 28' ' ' LYS . 1.9 m-20 81.65 3.94 1.37 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.505 1.128 . . . . 0.0 109.284 -179.951 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -91.87 165.0 13.47 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.472 1.107 . . . . 0.0 110.31 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.527 ' C ' HD22 ' A' ' 32' ' ' LEU . 85.8 t -133.84 119.52 33.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.494 1.121 . . . . 0.0 109.315 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.527 HD22 ' C ' ' A' ' 31' ' ' VAL . 2.5 mm? -109.36 178.14 4.53 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.488 1.117 . . . . 0.0 109.306 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 33' ' ' GLU . . . . . 0.426 ' O ' ' HA ' ' A' ' 44' ' ' LEU . 7.2 tt0 -107.99 132.24 53.73 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.447 1.092 . . . . 0.0 110.307 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.454 ' HA ' ' CD1' ' A' ' 44' ' ' LEU . 10.4 p -83.49 130.31 36.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.564 1.165 . . . . 0.0 109.309 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.468 ' N ' HD12 ' A' ' 35' ' ' LEU . 6.5 mp -98.26 -51.82 3.87 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.463 1.102 . . . . 0.0 109.323 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -128.65 135.95 49.98 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.464 1.103 . . . . 0.0 110.323 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -132.34 174.55 10.12 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.472 1.107 . . . . 0.0 109.279 -179.946 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 100.0 -3.92 57.27 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.486 1.116 . . . . 0.0 111.022 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 4.1 mtp180 -122.0 162.36 21.27 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.416 0.715 . . . . 0.0 110.316 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -45.34 -72.51 0.06 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.47 1.106 . . . . 0.0 110.248 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 41' ' ' TRP . . . . . 0.412 ' CE3' ' C ' ' A' ' 54' ' ' VAL . 13.1 m95 -84.57 128.59 34.68 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.477 1.11 . . . . 0.0 108.032 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 46.0 m0 -86.79 163.02 17.5 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.532 1.145 . . . . 0.0 108.037 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 0.442 ' HB2' ' CE1' ' A' ' 53' ' ' TYR . 63.0 tttt -114.45 105.2 12.83 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.451 1.095 . . . . 0.0 109.323 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.797 ' N ' HD22 ' A' ' 44' ' ' LEU . 0.0 OUTLIER -106.71 167.03 10.14 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.556 1.16 . . . . 0.0 109.31 179.985 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 45' ' ' ARG . . . . . 0.441 ' CB ' HD11 ' A' ' 35' ' ' LEU . 24.3 ttm180 -137.13 127.45 26.44 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.544 1.152 . . . . 0.0 110.308 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 25.6 p -77.12 166.65 22.99 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.518 1.136 . . . . 0.0 109.966 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.39 -11.38 59.53 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.499 1.125 . . . . 0.0 110.311 179.943 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 23.1 t -84.32 8.12 17.11 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.511 1.132 . . . . 0.0 109.968 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 76.11 12.1 84.34 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.557 1.161 . . . . 0.0 111.016 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 50' ' ' GLN . . . . . 0.415 ' O ' ' HA ' ' A' ' 45' ' ' ARG . 66.5 mm-40 -90.95 143.27 26.9 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.436 0.727 . . . . 0.0 110.289 -179.951 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -133.03 127.75 34.77 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.48 1.112 . . . . 0.0 109.315 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 52' ' ' GLY . . . . . 0.486 ' N ' HD13 ' A' ' 24' ' ' LEU . . . -150.31 157.9 27.42 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.503 1.127 . . . . 0.0 111.038 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 53' ' ' TYR . . . . . 0.442 ' CE1' ' HB2' ' A' ' 43' ' ' LYS . 47.7 m-85 -88.14 153.27 21.38 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.509 0.77 . . . . 0.0 111.034 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.685 ' CG2' HD23 ' A' ' 44' ' ' LEU . 0.0 OUTLIER -153.47 165.11 18.45 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.51 1.131 . . . . 0.0 109.337 -179.991 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 144.26 30.16 Favored 'Trans proline' 0 C--N 1.359 1.117 0 O-C-N 124.465 1.771 . . . . 0.0 110.976 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 31.2 p -83.95 0.85 46.23 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.506 1.128 . . . . 0.0 108.273 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -74.14 -21.05 60.03 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.504 1.127 . . . . 0.0 109.329 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 31.2 pt -104.97 -19.09 6.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.128 . . . . 0.0 109.272 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.762 ' HB3' HG21 ' A' ' 10' ' ' VAL . 91.6 mt -74.07 153.29 39.69 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.518 1.136 . . . . 0.0 109.274 -179.95 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 60' ' ' GLY . . . . . 0.539 ' H ' HG22 ' A' ' 10' ' ' VAL . . . -138.09 -144.91 4.76 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.539 1.15 . . . . 0.0 110.973 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 26.1 tt0 -119.93 142.75 48.44 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.558 0.799 . . . . 0.0 110.283 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -121.88 150.48 41.89 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.487 1.117 . . . . 0.0 109.3 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -157.19 132.36 8.99 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.509 1.131 . . . . 0.0 110.006 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -97.28 157.83 21.01 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.451 1.094 . . . . 0.0 111.039 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 60.51 5.49 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.522 1.801 . . . . 0.0 110.967 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 3.5 m -83.86 111.53 19.31 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.459 1.099 . . . . 0.0 109.993 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 19.1 t -77.71 109.2 11.5 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.487 1.117 . . . . 0.0 109.997 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.927 0 O-C-N 124.471 1.107 . . . . 0.0 111.018 179.985 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.008 0 N-CA-C 111.029 -0.828 . . . . 0.0 111.029 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 58.34 169.89 0.05 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.468 0.746 . . . . 0.0 109.995 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 69.75 -65.75 0.3 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.477 1.111 . . . . 0.0 110.013 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 120.94 -172.78 15.26 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.532 1.145 . . . . 0.0 110.975 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -178.44 104.53 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.515 0.774 . . . . 0.0 109.981 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -128.45 92.91 3.52 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.508 1.13 . . . . 0.0 109.963 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -133.75 -152.7 6.84 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.498 1.124 . . . . 0.0 110.97 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 14.8 tttt -112.13 158.7 19.31 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.539 0.787 . . . . 0.0 109.318 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 94.5 m-85 -136.42 172.08 13.54 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.504 1.127 . . . . 0.0 110.982 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.569 HG23 ' O ' ' A' ' 60' ' ' GLY . 7.1 p -128.54 154.09 38.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.509 1.13 . . . . 0.0 109.263 -179.929 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 12.1 tttt -113.49 123.99 51.33 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.519 1.137 . . . . 0.0 109.34 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.479 HG21 ' O ' ' A' ' 27' ' ' LEU . 51.3 mm -71.09 119.46 17.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.442 1.089 . . . . 0.0 109.3 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 43.3 mt -87.18 -20.51 26.88 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.462 1.101 . . . . 0.0 109.33 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 68.3 m-85 -149.31 136.96 20.29 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.499 1.124 . . . . 0.0 110.96 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 10.3 p-10 -63.58 135.79 57.06 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.44 1.087 . . . . 0.0 109.323 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' PHE . . . . . 0.514 ' CE2' HG12 ' A' ' 54' ' ' VAL . 85.6 t80 -128.13 136.15 50.76 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.466 1.104 . . . . 0.0 111.021 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 76.8 m -104.92 97.26 7.15 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.521 1.138 . . . . 0.0 110.387 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.725 ' HB2' ' C ' ' A' ' 24' ' ' LEU . . . -40.71 115.15 0.54 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.496 1.123 . . . . 0.0 109.289 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 15.8 mmt85 -67.72 -34.89 77.76 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.466 1.104 . . . . 0.0 110.287 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 48.6 m-80 -142.56 -175.57 4.52 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.433 1.083 . . . . 0.0 109.33 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.412 ' C ' ' N ' ' A' ' 23' ' ' GLU . . . -62.87 -51.64 66.2 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.485 1.116 . . . . 0.0 109.305 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 22' ' ' ASN . . . . . 0.422 ' ND2' ' HG3' ' A' ' 23' ' ' GLU . 2.1 p-10 -45.37 -26.5 0.55 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.487 1.117 . . . . 0.0 109.301 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 23' ' ' GLU . . . . . 0.422 ' HG3' ' ND2' ' A' ' 22' ' ' ASN . 60.1 mt-10 -97.08 155.79 16.65 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.505 1.128 . . . . 0.0 110.29 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.725 ' C ' ' HB2' ' A' ' 18' ' ' ALA . 5.1 tp -113.64 146.7 39.36 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.517 1.136 . . . . 0.0 109.317 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 12.9 p -101.86 121.8 42.79 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.486 1.116 . . . . 0.0 110.011 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.448 HG11 ' HG ' ' A' ' 32' ' ' LEU . 34.7 m -134.03 168.63 23.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.473 1.108 . . . . 0.0 109.283 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.479 ' O ' HG21 ' A' ' 12' ' ' ILE . 4.8 mt -118.48 178.76 4.34 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.485 1.116 . . . . 0.0 109.291 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -85.49 147.0 26.67 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.483 1.114 . . . . 0.0 109.329 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 13.1 t70 74.68 5.84 4.45 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.567 1.167 . . . . 0.0 109.305 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -89.31 161.4 16.38 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.457 1.098 . . . . 0.0 110.31 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.406 ' HA ' ' O ' ' A' ' 10' ' ' VAL . 55.0 t -129.95 109.54 17.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.47 1.106 . . . . 0.0 109.3 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.448 ' HG ' HG11 ' A' ' 26' ' ' VAL . 3.1 mm? -100.32 163.76 12.24 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.51 1.131 . . . . 0.0 109.303 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 33' ' ' GLU . . . . . 0.418 ' O ' ' HA ' ' A' ' 44' ' ' LEU . 4.6 tt0 -97.09 130.53 44.36 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.526 1.141 . . . . 0.0 110.295 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.489 ' HA ' HD12 ' A' ' 44' ' ' LEU . 11.7 p -82.14 132.21 31.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.444 1.09 . . . . 0.0 109.322 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.407 HD13 ' HA ' ' A' ' 44' ' ' LEU . 7.3 mp -105.7 -52.47 2.81 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.454 1.096 . . . . 0.0 109.326 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 13.8 mm-40 -129.27 131.81 47.07 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.473 1.108 . . . . 0.0 110.298 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -132.25 172.86 11.89 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.482 1.114 . . . . 0.0 109.288 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 99.68 -10.11 60.69 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.505 1.128 . . . . 0.0 111.001 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -112.14 161.02 16.99 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.482 0.754 . . . . 0.0 110.289 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -40.62 -72.52 0.06 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.486 1.116 . . . . 0.0 110.277 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 41' ' ' TRP . . . . . 0.476 ' CE3' ' C ' ' A' ' 54' ' ' VAL . 16.6 m95 -88.72 133.79 34.12 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 0.0 107.976 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 42' ' ' TRP . . . . . 0.503 ' CE3' HD13 ' A' ' 59' ' ' LEU . 45.1 m0 -87.17 162.82 17.28 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.544 1.152 . . . . 0.0 108.01 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 0.443 ' HB2' ' CE1' ' A' ' 53' ' ' TYR . 8.0 tttp -118.77 109.19 15.77 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.488 1.117 . . . . 0.0 109.26 -179.954 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.775 ' N ' HD22 ' A' ' 44' ' ' LEU . 0.0 OUTLIER -112.98 167.32 10.61 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.478 1.111 . . . . 0.0 109.307 179.96 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 45' ' ' ARG . . . . . 0.501 ' CG ' ' O ' ' A' ' 50' ' ' GLN . 16.8 ttp180 -130.74 126.89 37.58 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.464 1.102 . . . . 0.0 110.271 -179.914 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 63.9 p -68.16 159.63 30.67 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.488 1.118 . . . . 0.0 110.001 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 2.6 mmm-85 -61.05 -16.08 39.59 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.462 1.101 . . . . 0.0 110.317 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -77.55 -16.88 58.39 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.438 1.087 . . . . 0.0 109.951 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 108.98 -12.16 34.46 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.514 1.133 . . . . 0.0 110.968 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 50' ' ' GLN . . . . . 0.501 ' O ' ' CG ' ' A' ' 45' ' ' ARG . 0.2 OUTLIER -67.28 154.74 40.58 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.505 0.768 . . . . 0.0 110.309 -179.996 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -138.56 129.49 26.74 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.51 1.131 . . . . 0.0 109.303 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 52' ' ' GLY . . . . . 0.616 ' N ' HD13 ' A' ' 24' ' ' LEU . . . -150.15 164.57 29.7 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.515 1.135 . . . . 0.0 110.978 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 53' ' ' TYR . . . . . 0.443 ' CE1' ' HB2' ' A' ' 43' ' ' LYS . 46.9 m-85 -94.1 152.6 18.65 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.472 0.748 . . . . 0.0 110.983 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.663 ' CG2' HD23 ' A' ' 44' ' ' LEU . 0.0 OUTLIER -152.36 166.03 16.22 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.516 1.135 . . . . 0.0 109.274 -179.982 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 142.59 28.03 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.511 1.795 . . . . 0.0 110.979 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 56' ' ' CYS . . . . . 0.518 ' HA ' HD12 ' A' ' 59' ' ' LEU . 31.9 p -81.54 0.14 39.45 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.471 1.107 . . . . 0.0 108.346 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 50.4 m-80 -71.7 -33.28 68.64 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.48 1.113 . . . . 0.0 109.293 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 11.1 pt -92.82 -22.14 5.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.552 1.158 . . . . 0.0 109.289 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.552 ' HB3' HG21 ' A' ' 10' ' ' VAL . 82.2 mt -70.97 150.48 45.63 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.488 1.118 . . . . 0.0 109.292 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 60' ' ' GLY . . . . . 0.569 ' O ' HG23 ' A' ' 10' ' ' VAL . . . -140.9 -148.19 5.06 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.508 1.13 . . . . 0.0 110.998 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -119.62 131.52 55.49 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.484 0.756 . . . . 0.0 110.328 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -96.35 134.18 39.81 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.565 1.166 . . . . 0.0 109.304 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 3.3 t -121.62 99.64 6.57 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.481 1.113 . . . . 0.0 109.948 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 81.14 174.23 48.67 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.478 1.111 . . . . 0.0 111.034 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 136.83 20.81 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.532 1.806 . . . . 0.0 110.983 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 93.1 p -90.97 99.27 12.34 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.547 1.154 . . . . 0.0 109.998 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 57.1 p -71.98 -54.32 10.3 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.455 1.097 . . . . 0.0 110.034 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.984 0 O-C-N 124.503 1.127 . . . . 0.0 111.005 -179.995 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.018 0 N-CA-C 110.988 -0.845 . . . . 0.0 110.988 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -55.94 135.9 52.07 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.467 0.745 . . . . 0.0 110.033 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 19.0 m -76.38 134.91 39.52 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.461 1.1 . . . . 0.0 110.023 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -129.16 135.73 8.61 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.5 1.125 . . . . 0.0 110.982 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 32.0 t -168.89 -59.01 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.493 0.761 . . . . 0.0 110.0 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 87.2 p -45.63 155.55 0.16 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.44 1.088 . . . . 0.0 109.976 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -113.78 161.36 12.74 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.437 1.085 . . . . 0.0 111.015 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.436 ' HG2' ' CG1' ' A' ' 34' ' ' VAL . 0.0 OUTLIER -89.16 161.15 16.63 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.49 0.759 . . . . 0.0 109.31 179.978 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 65.6 m-85 -130.72 167.94 18.0 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.445 1.091 . . . . 0.0 111.005 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.477 HG21 ' HB3' ' A' ' 59' ' ' LEU . 4.1 p -131.09 133.21 62.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.514 1.134 . . . . 0.0 109.34 179.935 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -99.8 127.2 45.96 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.467 1.104 . . . . 0.0 109.279 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.578 HG21 ' O ' ' A' ' 27' ' ' LEU . 30.3 mm -71.23 115.58 11.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.465 1.103 . . . . 0.0 109.291 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 91.2 mt -81.25 -23.14 38.21 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.467 1.105 . . . . 0.0 109.294 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' TYR . . . . . 0.491 ' O ' ' CG2' ' A' ' 12' ' ' ILE . 95.5 m-85 -145.03 141.27 28.75 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.519 1.137 . . . . 0.0 111.003 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 15' ' ' ASP . . . . . 0.409 ' N ' ' HB2' ' A' ' 28' ' ' LYS . 2.1 p30 -67.11 119.2 11.64 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.506 1.129 . . . . 0.0 109.284 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 16' ' ' PHE . . . . . 0.536 ' CE2' HG12 ' A' ' 54' ' ' VAL . 61.1 t80 -116.06 146.4 42.23 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.482 1.114 . . . . 0.0 110.966 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 22.3 m -121.77 128.9 52.25 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.491 1.12 . . . . 0.0 110.352 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -67.1 112.87 4.65 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.549 1.156 . . . . 0.0 109.321 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 25.6 mmm180 -101.96 1.05 36.26 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.529 1.143 . . . . 0.0 110.315 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 7.8 m-80 -146.43 173.7 12.04 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.505 1.128 . . . . 0.0 109.3 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -70.56 -33.15 70.8 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.461 1.1 . . . . 0.0 109.364 179.935 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 70.6 m-20 -90.2 42.58 1.1 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.503 1.127 . . . . 0.0 109.269 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 34.0 mt-10 -143.67 156.58 44.59 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.468 1.105 . . . . 0.0 110.267 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.82 HD13 ' N ' ' A' ' 52' ' ' GLY . 8.4 tp -122.3 140.85 52.16 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.521 1.138 . . . . 0.0 109.322 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 3.8 p -96.0 120.47 36.34 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.502 1.126 . . . . 0.0 110.024 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.514 HG11 ' HG ' ' A' ' 32' ' ' LEU . 26.9 m -141.84 164.4 18.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.549 1.156 . . . . 0.0 109.32 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.578 ' O ' HG21 ' A' ' 12' ' ' ILE . 12.5 mt -108.87 178.98 4.31 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.523 1.139 . . . . 0.0 109.263 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.523 ' O ' ' CB ' ' A' ' 29' ' ' ASP . 25.4 tttt -88.0 141.74 28.34 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.517 1.136 . . . . 0.0 109.295 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 29' ' ' ASP . . . . . 0.523 ' CB ' ' O ' ' A' ' 28' ' ' LYS . 2.9 m-20 84.77 -10.08 0.85 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.51 1.131 . . . . 0.0 109.309 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -70.71 167.47 18.65 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.446 1.092 . . . . 0.0 110.336 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 73.6 t -134.32 112.09 15.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.54 1.15 . . . . 0.0 109.292 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.744 HD12 ' HA ' ' A' ' 46' ' ' SER . 3.3 mm? -104.59 168.75 8.88 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.513 1.133 . . . . 0.0 109.274 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 8.5 tt0 -99.83 132.13 45.37 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.452 1.095 . . . . 0.0 110.279 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.436 ' CG1' ' HG2' ' A' ' 8' ' ' LYS . 14.4 p -89.51 132.49 34.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.464 1.102 . . . . 0.0 109.283 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.715 HD11 ' HB2' ' A' ' 45' ' ' ARG . 0.5 OUTLIER -115.14 -48.42 2.82 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.499 1.124 . . . . 0.0 109.29 179.994 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -120.44 128.48 53.21 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.521 1.138 . . . . 0.0 110.295 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 2.3 p-10 -138.7 173.74 11.26 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.504 1.127 . . . . 0.0 109.303 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 99.37 -12.06 61.65 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.528 1.142 . . . . 0.0 110.999 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -110.23 164.4 12.69 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.537 0.786 . . . . 0.0 110.337 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 14.2 mm-40 -44.53 -62.47 1.18 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.469 1.106 . . . . 0.0 110.322 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 41' ' ' TRP . . . . . 0.416 ' CE3' ' C ' ' A' ' 54' ' ' VAL . 15.8 m95 -99.23 131.75 45.03 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.498 1.124 . . . . 0.0 107.974 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 42' ' ' TRP . . . . . 0.791 ' CE3' HD13 ' A' ' 59' ' ' LEU . 32.6 m0 -89.02 161.02 16.81 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.519 1.137 . . . . 0.0 107.992 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 0.515 ' HD2' ' CZ ' ' A' ' 53' ' ' TYR . 17.4 tttt -112.69 99.64 8.09 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.504 1.127 . . . . 0.0 109.304 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.748 ' N ' HD22 ' A' ' 44' ' ' LEU . 0.1 OUTLIER -102.42 167.49 9.92 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.538 1.149 . . . . 0.0 109.284 -179.971 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 45' ' ' ARG . . . . . 0.715 ' HB2' HD11 ' A' ' 35' ' ' LEU . 18.8 ttp180 -131.17 120.09 22.8 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.496 1.122 . . . . 0.0 110.3 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 46' ' ' SER . . . . . 0.744 ' HA ' HD12 ' A' ' 32' ' ' LEU . 1.2 t -67.92 136.37 53.88 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.486 1.116 . . . . 0.0 109.991 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -48.79 -21.38 0.62 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.497 1.123 . . . . 0.0 110.313 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 48' ' ' SER . . . . . 0.402 ' N ' ' C ' ' A' ' 46' ' ' SER . 0.6 OUTLIER -66.83 -25.15 66.29 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.494 1.121 . . . . 0.0 110.008 179.961 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 110.1 28.91 3.95 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.487 1.117 . . . . 0.0 110.987 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 50' ' ' GLN . . . . . 0.681 ' O ' HD11 ' A' ' 24' ' ' LEU . 6.3 mm100 -119.1 130.26 55.49 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.511 0.771 . . . . 0.0 110.346 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 51' ' ' ALA . . . . . 0.603 ' C ' HD13 ' A' ' 24' ' ' LEU . . . -113.48 128.18 56.36 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.494 1.121 . . . . 0.0 109.269 -179.939 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 52' ' ' GLY . . . . . 0.82 ' N ' HD13 ' A' ' 24' ' ' LEU . . . -150.66 176.12 29.37 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.503 1.127 . . . . 0.0 111.017 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 53' ' ' TYR . . . . . 0.515 ' CZ ' ' HD2' ' A' ' 43' ' ' LYS . 49.9 m-85 -104.77 148.19 26.88 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.561 0.8 . . . . 0.0 111.005 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.666 ' CG2' HD23 ' A' ' 44' ' ' LEU . 0.0 OUTLIER -151.46 165.91 16.34 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.489 1.118 . . . . 0.0 109.281 -179.978 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 143.32 28.94 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.462 1.77 . . . . 0.0 111.013 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 56' ' ' CYS . . . . . 0.495 ' HA ' HD12 ' A' ' 59' ' ' LEU . 30.7 p -81.7 1.39 34.49 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.478 1.111 . . . . 0.0 108.305 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -74.29 -25.15 59.41 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.514 1.134 . . . . 0.0 109.296 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 25.9 pt -101.42 -19.52 5.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.469 1.106 . . . . 0.0 109.284 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.791 HD13 ' CE3' ' A' ' 42' ' ' TRP . 96.4 mt -67.17 155.73 38.03 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.49 1.118 . . . . 0.0 109.322 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 60' ' ' GLY . . . . . 0.447 ' H ' HG22 ' A' ' 10' ' ' VAL . . . -157.0 144.48 10.75 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.483 1.114 . . . . 0.0 111.024 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 2.5 pt-20 -60.96 117.7 5.8 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.504 0.767 . . . . 0.0 110.276 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -90.15 123.53 34.06 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.532 1.145 . . . . 0.0 109.269 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 20.9 m -102.71 -51.98 3.18 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.532 1.145 . . . . 0.0 109.958 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 98.08 157.29 30.01 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.471 1.107 . . . . 0.0 110.984 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 94.77 0.96 Allowed 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.497 1.788 . . . . 0.0 110.992 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 24.7 t 50.28 81.93 0.06 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.493 1.121 . . . . 0.0 110.02 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 78.8 p -87.31 163.9 16.57 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.505 1.128 . . . . 0.0 110.016 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.012 0 O-C-N 124.5 1.125 . . . . 0.0 110.986 -179.97 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.009 0 N-CA-C 111.003 -0.839 . . . . 0.0 111.003 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 11.1 m 47.87 89.51 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.472 0.748 . . . . 0.0 109.987 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.7 t 59.82 166.07 0.06 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.528 1.143 . . . . 0.0 110.007 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -124.88 179.55 16.1 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.483 1.114 . . . . 0.0 110.993 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.4 m -69.61 -63.84 0.99 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.496 0.763 . . . . 0.0 109.995 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.5 t -173.82 168.21 4.31 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.534 1.146 . . . . 0.0 109.978 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 150.96 169.15 16.38 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.466 1.104 . . . . 0.0 110.953 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 11.2 mttt -114.35 166.11 12.01 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.477 0.751 . . . . 0.0 109.293 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 62.3 m-85 -142.42 175.45 9.77 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.516 1.135 . . . . 0.0 110.956 -179.945 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.55 HG21 ' HB3' ' A' ' 59' ' ' LEU . 9.6 p -134.68 144.03 36.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.505 1.128 . . . . 0.0 109.302 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.475 ' CE ' ' HA ' ' A' ' 29' ' ' ASP . 0.0 OUTLIER -109.28 104.85 14.06 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.497 1.123 . . . . 0.0 109.311 179.994 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.599 HG12 HD23 ' A' ' 32' ' ' LEU . 44.9 mm -48.43 124.1 1.91 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.486 1.116 . . . . 0.0 109.261 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.421 ' HB2' ' CD1' ' A' ' 14' ' ' TYR . 67.8 mt -89.55 -33.32 16.77 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.494 1.121 . . . . 0.0 109.287 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 14' ' ' TYR . . . . . 0.421 ' CD1' ' HB2' ' A' ' 13' ' ' LEU . 37.0 m-85 -133.3 136.43 45.47 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.469 1.106 . . . . 0.0 110.983 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -62.52 113.89 3.22 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.497 1.123 . . . . 0.0 109.332 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 16' ' ' PHE . . . . . 0.65 ' CE2' HG12 ' A' ' 54' ' ' VAL . 60.5 t80 -108.98 139.39 43.91 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.504 1.127 . . . . 0.0 111.017 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 4.0 m -116.9 121.34 41.18 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.558 1.162 . . . . 0.0 110.375 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -51.64 114.4 1.25 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.493 1.12 . . . . 0.0 109.304 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 22.5 mmt180 -98.79 -0.13 43.22 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.486 1.116 . . . . 0.0 110.315 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 2.4 m-80 -148.74 -176.0 5.16 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.552 1.158 . . . . 0.0 109.269 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -78.25 -35.75 47.8 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.505 1.128 . . . . 0.0 109.36 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 6.5 m120 -89.44 43.75 1.17 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.519 1.137 . . . . 0.0 109.265 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 28.8 mt-10 -143.58 147.37 34.3 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.484 1.115 . . . . 0.0 110.291 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.49 HD13 ' N ' ' A' ' 52' ' ' GLY . 3.5 tp -107.57 147.48 30.53 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.493 1.121 . . . . 0.0 109.342 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 3.0 p -104.06 115.95 31.35 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.501 1.125 . . . . 0.0 110.021 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.656 HG11 ' HG ' ' A' ' 32' ' ' LEU . 24.1 m -135.61 161.17 39.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.482 1.114 . . . . 0.0 109.307 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.486 ' O ' HG21 ' A' ' 12' ' ' ILE . 1.6 mm? -106.91 179.03 4.38 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.521 1.138 . . . . 0.0 109.356 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.417 ' O ' ' CB ' ' A' ' 29' ' ' ASP . 9.1 tttp -85.34 146.71 26.88 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.5 1.125 . . . . 0.0 109.288 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 29' ' ' ASP . . . . . 0.475 ' HA ' ' CE ' ' A' ' 11' ' ' LYS . 11.0 t0 76.0 10.78 3.12 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.506 1.129 . . . . 0.0 109.307 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -92.51 158.11 16.19 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.521 1.138 . . . . 0.0 110.299 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.426 ' C ' HD22 ' A' ' 32' ' ' LEU . 55.8 t -125.95 111.12 25.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.523 1.14 . . . . 0.0 109.34 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.656 ' HG ' HG11 ' A' ' 26' ' ' VAL . 2.9 mm? -104.11 176.9 5.0 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.49 1.119 . . . . 0.0 109.318 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 33' ' ' GLU . . . . . 0.424 ' O ' ' HA ' ' A' ' 44' ' ' LEU . 17.9 tt0 -108.88 130.42 55.43 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.497 1.123 . . . . 0.0 110.27 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.581 ' HA ' HD12 ' A' ' 44' ' ' LEU . 14.7 p -83.49 129.28 37.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.508 1.13 . . . . 0.0 109.302 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.411 ' N ' HD12 ' A' ' 35' ' ' LEU . 7.1 mp -103.84 -55.85 2.31 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.549 1.156 . . . . 0.0 109.319 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 9.5 mm-40 -122.56 132.19 54.19 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.474 1.109 . . . . 0.0 110.289 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -131.5 172.56 12.07 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.474 1.109 . . . . 0.0 109.309 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 86.65 14.69 64.98 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.489 1.118 . . . . 0.0 111.032 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -127.06 158.26 37.46 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.484 0.755 . . . . 0.0 110.273 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 17.2 mt-30 -39.03 -60.7 0.84 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.55 1.156 . . . . 0.0 110.296 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 41' ' ' TRP . . . . . 0.568 ' CZ3' ' HD3' ' A' ' 55' ' ' PRO . 11.6 m95 -107.9 137.78 45.29 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.549 1.156 . . . . 0.0 107.995 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 42' ' ' TRP . . . . . 0.618 ' CE3' HD13 ' A' ' 59' ' ' LEU . 33.3 m0 -83.1 160.73 21.83 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 107.955 -1.128 . . . . 0.0 107.955 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 0.571 ' HB2' ' CE1' ' A' ' 53' ' ' TYR . 4.8 tttt -122.96 107.79 12.22 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.513 1.133 . . . . 0.0 109.28 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.703 ' N ' HD22 ' A' ' 44' ' ' LEU . 0.0 OUTLIER -108.28 167.17 10.21 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.487 1.117 . . . . 0.0 109.255 -179.979 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 45' ' ' ARG . . . . . 0.494 ' CG ' ' O ' ' A' ' 50' ' ' GLN . 19.4 ttm180 -138.66 116.95 11.9 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.528 1.143 . . . . 0.0 110.305 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 15.6 t -67.9 168.57 11.45 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.504 1.127 . . . . 0.0 109.998 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.64 -8.17 52.44 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.463 1.102 . . . . 0.0 110.281 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 2.5 p -85.0 7.68 20.47 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.442 1.089 . . . . 0.0 110.013 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 78.35 6.27 87.83 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.514 1.134 . . . . 0.0 111.004 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 50' ' ' GLN . . . . . 0.494 ' O ' ' CG ' ' A' ' 45' ' ' ARG . 0.2 OUTLIER -83.41 152.51 24.99 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.535 0.785 . . . . 0.0 110.283 -179.988 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -146.28 129.79 16.89 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.537 1.148 . . . . 0.0 109.251 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 52' ' ' GLY . . . . . 0.49 ' N ' HD13 ' A' ' 24' ' ' LEU . . . -150.23 174.74 29.56 Favored Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.5 1.125 . . . . 0.0 110.996 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 53' ' ' TYR . . . . . 0.571 ' CE1' ' HB2' ' A' ' 43' ' ' LYS . 38.4 m-85 -108.12 143.84 36.33 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.539 0.788 . . . . 0.0 110.991 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.65 HG12 ' CE2' ' A' ' 16' ' ' PHE . 0.0 OUTLIER -146.35 163.97 27.12 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.49 1.119 . . . . 0.0 109.339 179.983 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 55' ' ' PRO . . . . . 0.568 ' HD3' ' CZ3' ' A' ' 41' ' ' TRP . 18.4 Cg_endo -74.99 143.25 28.89 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.502 1.791 . . . . 0.0 111.016 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 56' ' ' CYS . . . . . 0.53 ' HA ' HD12 ' A' ' 59' ' ' LEU . 30.3 p -79.67 -2.31 42.21 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.463 1.102 . . . . 0.0 108.266 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 1.6 m-20 -68.18 -37.48 81.01 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.47 1.106 . . . . 0.0 109.298 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 7.7 pt -88.27 -24.08 6.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.452 1.095 . . . . 0.0 109.324 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.618 HD13 ' CE3' ' A' ' 42' ' ' TRP . 70.1 mt -71.22 155.96 40.1 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.554 1.159 . . . . 0.0 109.281 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -153.45 143.24 9.96 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.494 1.122 . . . . 0.0 111.026 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -61.02 118.96 7.41 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.49 0.759 . . . . 0.0 110.323 -180.0 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -90.14 165.55 13.91 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.518 1.137 . . . . 0.0 109.333 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -100.19 168.42 9.82 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.483 1.115 . . . . 0.0 110.019 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -148.51 157.58 27.35 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.482 1.114 . . . . 0.0 111.021 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 56.09 4.12 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.503 1.791 . . . . 0.0 111.011 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -166.39 -62.78 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.529 1.143 . . . . 0.0 110.025 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 9.3 p 43.58 77.37 0.07 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.471 1.107 . . . . 0.0 109.991 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.963 0 O-C-N 124.482 1.114 . . . . 0.0 111.036 179.954 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.314 0 N-CA-C 109.305 -0.628 . . . . 0.0 109.305 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 82.7 m-85 -145.98 169.82 17.87 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.532 1.145 . . . . 0.0 110.968 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . 0.494 HG23 ' O ' ' A' ' 60' ' ' GLY . 7.0 p -131.14 137.6 55.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.512 1.132 . . . . 0.0 109.296 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -104.22 109.59 21.47 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.498 1.124 . . . . 0.0 109.304 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 50.8 mm -52.42 138.25 11.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.457 1.098 . . . . 0.0 109.249 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 87.3 mt -103.09 -36.96 7.95 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.469 1.106 . . . . 0.0 109.326 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 57.7 m-85 -127.12 135.61 50.97 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.465 1.103 . . . . 0.0 110.997 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 1.5 p-10 -63.74 121.23 13.47 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.494 1.121 . . . . 0.0 109.263 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . 0.409 ' CE2' HG12 ' A' ' 54' ' ' VAL . 69.0 t80 -114.29 140.46 48.58 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.52 1.138 . . . . 0.0 111.0 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 30.8 m -112.12 96.36 5.99 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.51 1.131 . . . . 0.0 110.426 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 0.687 ' HB2' ' C ' ' A' ' 24' ' ' LEU . . . . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.497 1.123 . . . . 0.0 109.295 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 29.3 mt-10 . . . . . 0 N--CA 1.452 -0.327 0 N-CA-C 110.306 -0.257 . . . . 0.0 110.306 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.687 ' C ' ' HB2' ' A' ' 18' ' ' ALA . 8.4 tp -109.43 138.26 46.05 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.54 1.15 . . . . 0.0 109.308 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 4.0 p -94.31 118.38 31.51 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.504 1.127 . . . . 0.0 109.99 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 34.5 m -128.86 175.16 10.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.497 1.123 . . . . 0.0 109.286 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 17.9 mt -125.93 178.89 5.47 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.441 1.088 . . . . 0.0 109.282 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.407 ' HG2' ' N ' ' A' ' 29' ' ' ASP . 1.4 tttt -82.69 141.49 32.4 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.529 1.143 . . . . 0.0 109.266 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . 0.407 ' N ' ' HG2' ' A' ' 28' ' ' LYS . 0.2 OUTLIER 73.21 26.3 2.13 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.548 1.155 . . . . 0.0 109.34 -179.993 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 8.7 mt-10 -105.23 158.48 16.57 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.471 1.107 . . . . 0.0 110.266 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 69.3 t -131.79 115.71 28.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.472 1.108 . . . . 0.0 109.306 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.591 HD22 ' N ' ' A' ' 32' ' ' LEU . 2.1 mm? -105.78 179.11 4.37 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.494 1.121 . . . . 0.0 109.32 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 4.8 tt0 -107.08 112.81 25.91 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.519 1.137 . . . . 0.0 110.312 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.464 ' HA ' HD13 ' A' ' 44' ' ' LEU . 9.9 p -71.98 131.84 34.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.528 1.142 . . . . 0.0 109.339 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.648 HD11 ' HB2' ' A' ' 45' ' ' ARG . 4.2 mt -115.62 -44.84 2.93 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.525 1.14 . . . . 0.0 109.318 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -121.5 123.91 43.17 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.448 1.093 . . . . 0.0 110.313 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -129.03 176.64 7.73 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.459 1.1 . . . . 0.0 109.292 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 68.99 19.17 73.45 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.537 1.148 . . . . 0.0 110.953 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -127.9 163.43 24.46 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.531 0.783 . . . . 0.0 110.287 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 3.8 mt-30 -38.82 -68.41 0.16 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.456 1.097 . . . . 0.0 110.299 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' TRP . . . . . 0.569 ' CZ3' ' HD3' ' A' ' 55' ' ' PRO . 11.3 m0 -111.73 137.83 49.11 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.537 1.148 . . . . 0.0 107.999 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' TRP . . . . . 0.84 ' CE3' HD13 ' A' ' 59' ' ' LEU . 46.6 m0 -83.38 157.72 22.41 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.478 1.111 . . . . 0.0 108.01 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . 0.569 ' HB2' ' CE1' ' A' ' 53' ' ' TYR . 9.5 tttp -116.07 99.88 7.56 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.504 1.128 . . . . 0.0 109.322 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.762 HD23 ' CG2' ' A' ' 54' ' ' VAL . 0.3 OUTLIER -95.74 167.04 11.52 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.485 1.116 . . . . 0.0 109.354 -179.988 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . 0.648 ' HB2' HD11 ' A' ' 35' ' ' LEU . 8.1 ttp180 -137.5 122.82 19.41 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.467 1.105 . . . . 0.0 110.321 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . 0.457 ' HA ' HD12 ' A' ' 32' ' ' LEU . 9.7 t -73.32 168.91 18.22 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.546 1.154 . . . . 0.0 110.045 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 5.8 mmt85 -71.71 -16.87 62.24 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.494 1.121 . . . . 0.0 110.326 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 44.1 m -69.42 -23.53 63.71 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.488 1.118 . . . . 0.0 110.054 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 106.96 17.34 11.87 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.494 1.121 . . . . 0.0 110.943 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . 0.409 ' O ' ' HA ' ' A' ' 45' ' ' ARG . 1.7 mp0 -99.68 152.52 19.98 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.488 0.758 . . . . 0.0 110.249 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . 0.531 ' C ' HD13 ' A' ' 24' ' ' LEU . . . -140.2 131.26 26.28 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.484 1.115 . . . . 0.0 109.262 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . 0.681 ' N ' HD13 ' A' ' 24' ' ' LEU . . . -150.15 175.95 29.0 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.507 1.129 . . . . 0.0 111.011 179.937 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' TYR . . . . . 0.569 ' CE1' ' HB2' ' A' ' 43' ' ' LYS . 43.2 m-85 -105.22 143.08 33.89 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.496 0.762 . . . . 0.0 111.005 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.762 ' CG2' HD23 ' A' ' 44' ' ' LEU . 0.0 OUTLIER -144.57 164.06 30.42 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.503 1.127 . . . . 0.0 109.275 -179.976 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' PRO . . . . . 0.569 ' HD3' ' CZ3' ' A' ' 41' ' ' TRP . 18.3 Cg_endo -74.97 142.46 27.98 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.537 1.809 . . . . 0.0 110.993 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' CYS . . . . . 0.476 ' HA ' HD12 ' A' ' 59' ' ' LEU . 24.4 p -79.37 -4.45 51.05 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.505 1.128 . . . . 0.0 108.251 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 2.1 t30 -66.36 -38.28 87.23 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.539 1.15 . . . . 0.0 109.292 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 13.5 pt -87.5 -23.68 6.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.55 1.156 . . . . 0.0 109.363 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.84 HD13 ' CE3' ' A' ' 42' ' ' TRP . 84.4 mt -64.48 163.03 14.12 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.522 1.139 . . . . 0.0 109.282 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . 0.494 ' O ' HG23 ' A' ' 10' ' ' VAL . . . . . . . . 0 CA--C 1.53 1.006 0 O-C-N 124.439 1.087 . . . . 0.0 111.04 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.303 0 N-CA-C 109.322 -0.622 . . . . 0.0 109.322 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 48.4 m-85 -138.08 158.56 44.07 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.516 1.135 . . . . 0.0 111.005 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . 0.493 HG21 HD22 ' A' ' 59' ' ' LEU . 7.1 p -124.99 141.79 43.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.485 1.116 . . . . 0.0 109.314 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 9.3 tttt -107.43 121.76 45.26 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.527 1.142 . . . . 0.0 109.287 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.698 HD11 HD23 ' A' ' 32' ' ' LEU . 25.3 mm -66.83 120.67 14.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.502 1.126 . . . . 0.0 109.291 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 95.9 mt -84.19 -25.45 29.53 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.523 1.14 . . . . 0.0 109.298 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . 0.482 ' O ' ' CG2' ' A' ' 12' ' ' ILE . 74.1 m-85 -143.53 144.27 31.89 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.519 1.137 . . . . 0.0 111.034 179.943 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . 0.422 ' HB2' HD23 ' A' ' 27' ' ' LEU . 5.5 p30 -67.37 130.81 44.25 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.495 1.122 . . . . 0.0 109.281 -179.934 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . 0.522 ' CE2' HG12 ' A' ' 54' ' ' VAL . 76.4 t80 -127.2 143.34 51.27 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.51 1.131 . . . . 0.0 111.0 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.402 ' O ' ' C ' ' A' ' 18' ' ' ALA . 24.2 m -119.12 111.26 18.04 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.487 1.117 . . . . 0.0 110.39 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 0.402 ' C ' ' O ' ' A' ' 17' ' ' THR . . . . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.525 1.141 . . . . 0.0 109.325 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 23.3 mt-10 . . . . . 0 N--CA 1.453 -0.275 0 N-CA-C 110.336 -0.246 . . . . 0.0 110.336 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.484 HD23 HG13 ' A' ' 26' ' ' VAL . 2.0 tp -115.26 151.72 34.01 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.497 1.123 . . . . 0.0 109.298 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 4.9 p -108.63 118.04 35.74 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.554 1.159 . . . . 0.0 110.0 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.484 HG13 HD23 ' A' ' 24' ' ' LEU . 15.8 m -133.41 167.05 27.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.442 1.089 . . . . 0.0 109.3 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.422 HD23 ' HB2' ' A' ' 15' ' ' ASP . 27.4 mt -117.52 179.12 4.15 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.463 1.102 . . . . 0.0 109.267 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.438 ' O ' ' CB ' ' A' ' 29' ' ' ASP . 2.8 tttt -80.13 141.03 36.14 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.495 1.122 . . . . 0.0 109.293 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . 0.438 ' CB ' ' O ' ' A' ' 28' ' ' LYS . 12.0 t0 77.07 28.61 0.63 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.531 1.144 . . . . 0.0 109.339 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 14.2 mt-10 -109.65 162.19 14.66 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.523 1.139 . . . . 0.0 110.297 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.414 ' C ' HD22 ' A' ' 32' ' ' LEU . 69.8 t -134.02 125.81 49.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.531 1.144 . . . . 0.0 109.315 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.698 HD23 HD11 ' A' ' 12' ' ' ILE . 2.3 mm? -115.43 178.45 4.29 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.122 . . . . 0.0 109.339 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . 0.466 ' HG2' ' CD2' ' A' ' 35' ' ' LEU . 3.5 tt0 -109.47 102.62 11.47 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.482 1.114 . . . . 0.0 110.306 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 12.5 p -71.24 125.36 29.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.484 1.115 . . . . 0.0 109.278 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.466 ' CD2' ' HG2' ' A' ' 33' ' ' GLU . 0.3 OUTLIER -108.03 -42.95 4.53 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.488 1.117 . . . . 0.0 109.268 -179.977 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -118.41 127.2 53.45 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.517 1.136 . . . . 0.0 110.284 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 6.0 p-10 -137.85 174.8 10.19 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.486 1.116 . . . . 0.0 109.326 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 95.5 -12.17 67.97 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.482 1.114 . . . . 0.0 111.003 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -108.77 161.76 14.81 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.539 0.788 . . . . 0.0 110.293 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 7.6 tt0 -43.34 -65.88 0.44 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.487 1.117 . . . . 0.0 110.261 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' TRP . . . . . 0.555 ' CE3' ' C ' ' A' ' 54' ' ' VAL . 22.4 m95 -96.34 133.85 40.21 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.511 1.132 . . . . 0.0 108.034 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' TRP . . . . . 0.758 ' CE3' HD13 ' A' ' 59' ' ' LEU . 31.6 m0 -94.49 164.48 12.97 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.49 1.119 . . . . 0.0 107.999 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . 0.409 ' HB2' ' CE1' ' A' ' 53' ' ' TYR . 14.9 tttt -116.42 99.72 7.38 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.504 1.128 . . . . 0.0 109.345 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.758 HD23 ' CG2' ' A' ' 54' ' ' VAL . 0.4 OUTLIER -94.78 167.16 11.61 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.53 1.144 . . . . 0.0 109.307 -179.993 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 60.2 ttp85 -144.29 114.55 7.48 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.497 1.123 . . . . 0.0 110.275 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -72.38 160.48 32.27 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.535 1.147 . . . . 0.0 110.017 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.26 -18.3 25.62 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.497 1.123 . . . . 0.0 110.315 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 1.3 m -70.19 -6.94 37.96 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.535 1.147 . . . . 0.0 109.999 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 91.9 -16.74 58.71 Favored Glycine 0 CA--C 1.529 0.935 0 O-C-N 124.501 1.126 . . . . 0.0 110.974 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 1.6 mp0 -65.02 153.08 41.77 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.44 0.729 . . . . 0.0 110.318 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -145.65 129.31 17.12 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.546 1.154 . . . . 0.0 109.266 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . 0.413 ' CA ' ' HB2' ' A' ' 24' ' ' LEU . . . -150.24 165.95 29.96 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.47 1.106 . . . . 0.0 110.99 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' TYR . . . . . 0.409 ' CE1' ' HB2' ' A' ' 43' ' ' LYS . 47.9 m-85 -93.96 147.71 22.84 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.49 0.759 . . . . 0.0 111.009 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.758 ' CG2' HD23 ' A' ' 44' ' ' LEU . 0.0 OUTLIER -148.39 166.33 15.87 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.469 1.105 . . . . 0.0 109.298 179.978 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 143.21 28.87 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.501 1.79 . . . . 0.0 110.988 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' CYS . . . . . 0.478 ' HA ' HD12 ' A' ' 59' ' ' LEU . 14.4 p -79.36 -2.0 39.59 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.518 1.136 . . . . 0.0 108.34 179.953 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 4.2 m120 -70.02 -34.19 72.96 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.476 1.11 . . . . 0.0 109.335 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 16.8 pt -92.45 -19.3 6.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.505 1.128 . . . . 0.0 109.28 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.758 HD13 ' CE3' ' A' ' 42' ' ' TRP . 98.1 mt -71.4 154.29 41.66 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.528 1.143 . . . . 0.0 109.276 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.981 0 O-C-N 124.465 1.103 . . . . 0.0 111.033 -179.978 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.285 0 N-CA-C 109.292 -0.632 . . . . 0.0 109.292 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' TYR . . . . . 0.471 ' CE1' ' HG3' ' A' ' 33' ' ' GLU . 89.5 m-85 -146.41 167.4 23.7 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.473 1.108 . . . . 0.0 111.009 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . 0.678 HG21 ' HB3' ' A' ' 59' ' ' LEU . 9.4 p -134.76 139.02 48.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.53 1.144 . . . . 0.0 109.299 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . 0.457 ' CE ' ' HA ' ' A' ' 29' ' ' ASP . 5.5 tttt -99.38 122.68 42.85 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.477 1.111 . . . . 0.0 109.327 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 48.1 mm -67.86 123.14 20.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.531 1.145 . . . . 0.0 109.286 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 88.3 mt -88.21 -28.29 21.25 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.464 1.103 . . . . 0.0 109.311 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 74.3 m-85 -138.85 138.07 37.15 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.461 1.101 . . . . 0.0 110.986 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -63.42 121.18 13.17 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.54 1.15 . . . . 0.0 109.352 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . 0.627 ' CE2' HG12 ' A' ' 54' ' ' VAL . 56.8 t80 -121.08 141.42 50.8 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.499 1.125 . . . . 0.0 111.017 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.4 ' O ' ' C ' ' A' ' 18' ' ' ALA . 20.6 m -122.31 114.98 21.53 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.539 1.149 . . . . 0.0 110.366 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 0.4 ' C ' ' O ' ' A' ' 17' ' ' THR . . . . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.527 1.142 . . . . 0.0 109.288 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 15.9 mt-10 . . . . . 0 N--CA 1.452 -0.325 0 N-CA-C 110.334 -0.247 . . . . 0.0 110.334 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.541 HD13 ' N ' ' A' ' 52' ' ' GLY . 5.5 tp -111.29 138.93 47.14 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.439 1.087 . . . . 0.0 109.299 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 11.1 m -97.56 123.32 41.39 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.481 1.113 . . . . 0.0 110.015 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.513 HG11 ' HG ' ' A' ' 32' ' ' LEU . 27.5 m -132.85 172.24 16.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.507 1.129 . . . . 0.0 109.294 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 4.6 mt -119.87 179.09 4.36 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.493 1.121 . . . . 0.0 109.285 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.43 ' O ' ' CB ' ' A' ' 29' ' ' ASP . 13.3 tttm -82.67 141.81 32.18 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.464 1.102 . . . . 0.0 109.302 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . 0.457 ' HA ' ' CE ' ' A' ' 11' ' ' LYS . 2.2 m-20 77.0 9.21 2.8 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.505 1.128 . . . . 0.0 109.355 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 4.2 mt-10 -96.84 149.36 21.94 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.487 1.117 . . . . 0.0 110.31 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.489 ' C ' HD22 ' A' ' 32' ' ' LEU . 75.8 t -122.49 127.86 75.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.544 1.153 . . . . 0.0 109.27 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.518 HD22 ' N ' ' A' ' 32' ' ' LEU . 2.7 mm? -110.71 177.53 4.65 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.422 1.076 . . . . 0.0 109.321 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . 0.471 ' HG3' ' CE1' ' A' ' 9' ' ' TYR . 2.7 tt0 -102.9 114.8 29.38 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.465 1.103 . . . . 0.0 110.288 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 10.1 p -80.33 129.66 37.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.472 1.107 . . . . 0.0 109.289 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.483 HD11 ' HB2' ' A' ' 45' ' ' ARG . 0.2 OUTLIER -116.56 -44.91 2.83 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.538 1.149 . . . . 0.0 109.288 -179.999 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -119.58 124.93 47.58 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.478 1.111 . . . . 0.0 110.34 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 1.7 p-10 -136.62 177.08 8.13 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.53 1.144 . . . . 0.0 109.281 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 77.62 16.01 80.68 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.549 1.156 . . . . 0.0 111.001 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -128.0 166.06 19.09 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.488 0.758 . . . . 0.0 110.271 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -38.82 -67.77 0.19 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.518 1.136 . . . . 0.0 110.299 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' TRP . . . . . 0.533 ' CZ3' ' HD3' ' A' ' 55' ' ' PRO . 11.2 m0 -111.02 138.64 47.18 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.491 1.119 . . . . 0.0 107.999 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' TRP . . . . . 0.587 ' CE3' HD13 ' A' ' 59' ' ' LEU . 46.6 m0 -83.41 158.95 21.91 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.522 1.139 . . . . 0.0 107.97 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . 0.567 ' HB2' ' CE1' ' A' ' 53' ' ' TYR . 2.9 tttt -116.71 99.96 7.49 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.457 1.098 . . . . 0.0 109.321 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.776 HD23 ' CG2' ' A' ' 54' ' ' VAL . 0.2 OUTLIER -98.28 166.2 11.5 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.519 1.137 . . . . 0.0 109.257 -179.956 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . 0.483 ' HB2' HD11 ' A' ' 35' ' ' LEU . 24.5 ttp180 -134.32 126.63 30.11 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.552 1.158 . . . . 0.0 110.269 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . 0.43 ' HA ' HD12 ' A' ' 32' ' ' LEU . 9.6 p -75.0 169.82 17.24 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.522 1.139 . . . . 0.0 110.001 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.89 -4.82 37.29 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.529 1.143 . . . . 0.0 110.306 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -92.91 15.64 14.41 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.528 1.142 . . . . 0.0 110.042 179.946 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 71.23 13.94 73.71 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.475 1.109 . . . . 0.0 110.997 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . 0.443 ' O ' ' CG ' ' A' ' 45' ' ' ARG . 84.8 mm-40 -91.02 151.6 20.98 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.488 0.757 . . . . 0.0 110.322 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . 0.447 ' C ' HD13 ' A' ' 24' ' ' LEU . . . -141.92 130.58 22.74 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.533 1.146 . . . . 0.0 109.308 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . 0.541 ' N ' HD13 ' A' ' 24' ' ' LEU . . . -150.04 168.1 30.07 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.506 1.129 . . . . 0.0 111.039 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' TYR . . . . . 0.567 ' CE1' ' HB2' ' A' ' 43' ' ' LYS . 46.5 m-85 -100.05 144.94 28.5 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.519 0.776 . . . . 0.0 111.045 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.776 ' CG2' HD23 ' A' ' 44' ' ' LEU . 0.0 OUTLIER -147.78 165.1 19.52 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.51 1.131 . . . . 0.0 109.303 -179.952 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' PRO . . . . . 0.533 ' HD3' ' CZ3' ' A' ' 41' ' ' TRP . 18.2 Cg_endo -74.96 139.65 24.65 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.512 1.796 . . . . 0.0 111.047 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' CYS . . . . . 0.675 ' HA ' HD12 ' A' ' 59' ' ' LEU . 31.2 p -77.02 -5.48 48.91 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.473 1.108 . . . . 0.0 108.318 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 2.6 m120 -64.19 -45.52 87.95 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.468 1.105 . . . . 0.0 109.289 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 10.3 pt -79.31 -26.17 12.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.54 1.15 . . . . 0.0 109.329 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.678 ' HB3' HG21 ' A' ' 10' ' ' VAL . 73.8 mt -67.94 156.02 38.17 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.473 1.108 . . . . 0.0 109.297 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . 0.583 ' O ' HG23 ' A' ' 10' ' ' VAL . . . . . . . . 0 CA--C 1.53 0.997 0 O-C-N 124.466 1.104 . . . . 0.0 111.007 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 1.2 tttt . . . . . 0 N--CA 1.452 -0.326 0 N-CA-C 109.33 -0.619 . . . . 0.0 109.33 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' TYR . . . . . 0.555 ' CE1' ' HG3' ' A' ' 33' ' ' GLU . 85.1 m-85 -137.49 161.64 35.84 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.526 1.142 . . . . 0.0 110.98 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . 0.469 HG21 HD22 ' A' ' 59' ' ' LEU . 9.8 p -129.52 138.91 53.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.526 1.141 . . . . 0.0 109.265 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . 0.46 ' HG3' ' CG2' ' A' ' 31' ' ' VAL . 0.5 OUTLIER -103.35 113.11 26.34 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.466 1.104 . . . . 0.0 109.3 179.96 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.408 ' CG2' ' O ' ' A' ' 14' ' ' TYR . 45.7 mm -58.42 121.14 5.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.508 1.13 . . . . 0.0 109.295 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 88.8 mt -84.83 -23.19 29.17 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.496 1.123 . . . . 0.0 109.297 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . 0.408 ' O ' ' CG2' ' A' ' 12' ' ' ILE . 81.2 m-85 -149.84 141.66 23.72 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.509 1.131 . . . . 0.0 110.998 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . 0.475 ' CB ' HD23 ' A' ' 27' ' ' LEU . 2.3 p30 -62.27 138.67 58.47 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.486 1.116 . . . . 0.0 109.288 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . 0.642 ' CE2' HG12 ' A' ' 54' ' ' VAL . 90.6 t80 -132.51 143.77 49.98 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.446 1.091 . . . . 0.0 111.038 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 18.8 m -113.63 111.16 21.39 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.466 1.104 . . . . 0.0 110.406 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 0.473 ' HB2' ' C ' ' A' ' 24' ' ' LEU . . . . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.464 1.102 . . . . 0.0 109.326 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 . . . . . 0 N--CA 1.453 -0.321 0 N-CA-C 110.305 -0.257 . . . . 0.0 110.305 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.497 HD13 ' N ' ' A' ' 52' ' ' GLY . 4.9 tp -115.87 140.63 49.04 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.499 1.124 . . . . 0.0 109.282 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -98.8 124.02 43.42 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.545 1.153 . . . . 0.0 110.041 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.615 HG11 ' HG ' ' A' ' 32' ' ' LEU . 15.8 m -137.53 171.88 15.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.523 1.139 . . . . 0.0 109.309 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.475 HD23 ' CB ' ' A' ' 15' ' ' ASP . 6.3 mt -120.88 179.18 4.44 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.516 1.135 . . . . 0.0 109.319 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.466 ' O ' ' CB ' ' A' ' 29' ' ' ASP . 7.4 tttt -82.49 144.13 30.64 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.561 1.163 . . . . 0.0 109.261 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . 0.466 ' CB ' ' O ' ' A' ' 28' ' ' LYS . 2.5 m-20 79.0 3.79 2.39 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.538 1.149 . . . . 0.0 109.298 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -93.9 153.13 18.4 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.466 1.104 . . . . 0.0 110.309 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.46 ' CG2' ' HG3' ' A' ' 11' ' ' LYS . 56.5 t -126.01 128.43 71.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.548 1.155 . . . . 0.0 109.285 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.615 ' HG ' HG11 ' A' ' 26' ' ' VAL . 2.9 mm? -112.53 175.93 5.23 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.504 1.127 . . . . 0.0 109.289 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . 0.555 ' HG3' ' CE1' ' A' ' 9' ' ' TYR . 2.8 tt0 -103.17 110.76 22.83 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.516 1.135 . . . . 0.0 110.317 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.703 ' HA ' HD13 ' A' ' 44' ' ' LEU . 6.5 p -75.96 131.2 35.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.534 1.146 . . . . 0.0 109.299 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.64 HD11 ' HB2' ' A' ' 45' ' ' ARG . 1.6 mt -113.86 -43.32 3.28 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.498 1.124 . . . . 0.0 109.302 -179.949 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -123.93 128.5 49.52 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.464 1.103 . . . . 0.0 110.293 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 1.6 p-10 -137.61 172.09 13.48 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.519 1.137 . . . . 0.0 109.309 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 91.39 11.67 60.68 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.504 1.128 . . . . 0.0 111.04 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . 0.401 ' O ' ' C ' ' A' ' 40' ' ' GLN . 22.4 ttp85 -127.93 163.78 23.73 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.486 0.756 . . . . 0.0 110.289 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . 0.401 ' C ' ' O ' ' A' ' 39' ' ' ARG . 4.2 mt-30 -38.85 -62.11 0.66 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.535 1.147 . . . . 0.0 110.282 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' TRP . . . . . 0.557 ' CZ3' ' HD3' ' A' ' 55' ' ' PRO . 11.2 m0 -112.71 135.54 53.33 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.525 1.141 . . . . 0.0 107.973 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' TRP . . . . . 0.657 ' CE3' HD13 ' A' ' 59' ' ' LEU . 36.1 m0 -84.99 162.85 19.21 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 108.002 -1.11 . . . . 0.0 108.002 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . 0.402 ' HB2' ' CE1' ' A' ' 53' ' ' TYR . 24.0 tttt -113.93 100.04 8.12 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.539 1.149 . . . . 0.0 109.304 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.752 HD22 ' N ' ' A' ' 44' ' ' LEU . 0.5 OUTLIER -96.68 166.82 11.48 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.537 1.148 . . . . 0.0 109.305 -179.983 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . 0.64 ' HB2' HD11 ' A' ' 35' ' ' LEU . 14.9 ttp180 -135.02 130.88 36.39 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.505 1.128 . . . . 0.0 110.291 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 55.4 p -75.02 169.73 17.42 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.498 1.124 . . . . 0.0 110.021 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.44 -5.84 39.45 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.501 1.126 . . . . 0.0 110.318 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 3.9 m -91.04 -2.59 57.63 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.507 1.129 . . . . 0.0 109.993 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 95.16 -7.76 69.55 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.486 1.116 . . . . 0.0 111.0 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . 0.499 ' O ' ' CG ' ' A' ' 45' ' ' ARG . 0.6 OUTLIER -69.38 154.15 42.47 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.539 0.788 . . . . 0.0 110.338 179.989 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -143.83 129.96 19.67 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.455 1.097 . . . . 0.0 109.36 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . 0.497 ' N ' HD13 ' A' ' 24' ' ' LEU . . . -150.0 161.3 28.84 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.483 1.115 . . . . 0.0 110.982 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' TYR . . . . . 0.402 ' CE1' ' HB2' ' A' ' 43' ' ' LYS . 54.4 m-85 -89.23 152.11 21.77 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.511 0.771 . . . . 0.0 111.026 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.732 ' CG2' HD23 ' A' ' 44' ' ' LEU . 0.0 OUTLIER -151.38 162.39 26.9 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.523 1.139 . . . . 0.0 109.295 -179.983 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' PRO . . . . . 0.557 ' HD3' ' CZ3' ' A' ' 41' ' ' TRP . 18.2 Cg_endo -75.05 143.88 29.41 Favored 'Trans proline' 0 C--N 1.361 1.202 0 O-C-N 124.49 1.784 . . . . 0.0 110.992 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' CYS . . . . . 0.419 ' HA ' HD12 ' A' ' 59' ' ' LEU . 26.3 p -81.95 1.2 36.47 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.5 1.125 . . . . 0.0 108.301 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 27.3 t-20 -71.77 -21.65 61.7 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.467 1.104 . . . . 0.0 109.278 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 8.0 pt -108.09 -15.54 9.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.441 1.088 . . . . 0.0 109.321 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.657 HD13 ' CE3' ' A' ' 42' ' ' TRP . 94.6 mt -71.22 154.44 41.67 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.516 1.135 . . . . 0.0 109.314 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.026 0 O-C-N 124.514 1.134 . . . . 0.0 111.009 -179.997 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.287 0 N-CA-C 109.282 -0.636 . . . . 0.0 109.282 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 81.2 m-85 -144.31 171.69 13.97 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.494 1.121 . . . . 0.0 111.003 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . 0.5 HG21 ' HB3' ' A' ' 59' ' ' LEU . 4.7 p -131.45 134.98 60.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.521 1.138 . . . . 0.0 109.29 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -98.82 125.98 44.35 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.504 1.128 . . . . 0.0 109.296 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.478 HG21 ' O ' ' A' ' 27' ' ' LEU . 47.2 mm -71.72 118.54 16.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.503 1.127 . . . . 0.0 109.349 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 72.0 mt -83.2 -21.6 33.41 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.424 1.078 . . . . 0.0 109.316 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . 0.444 ' O ' ' CG2' ' A' ' 12' ' ' ILE . 84.0 m-85 -149.44 140.13 22.64 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.442 1.089 . . . . 0.0 110.977 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 2.5 p-10 -66.0 135.49 54.76 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.508 1.13 . . . . 0.0 109.299 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . 0.616 ' CD2' HG12 ' A' ' 54' ' ' VAL . 62.3 t80 -126.71 145.42 50.6 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.509 1.13 . . . . 0.0 111.02 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 18.7 m -113.87 99.92 8.04 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.491 1.119 . . . . 0.0 110.376 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 0.561 ' HB2' ' C ' ' A' ' 24' ' ' LEU . . . . . . . . 0 C--N 1.326 -0.448 0 O-C-N 124.448 1.092 . . . . 0.0 109.307 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 63.7 mt-10 . . . . . 0 N--CA 1.453 -0.288 0 N-CA-C 110.312 -0.255 . . . . 0.0 110.312 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.561 ' C ' ' HB2' ' A' ' 18' ' ' ALA . 4.6 tp -116.47 139.84 50.01 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.497 1.123 . . . . 0.0 109.275 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -96.33 122.2 38.95 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.538 1.149 . . . . 0.0 110.033 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.518 HG11 ' HG ' ' A' ' 32' ' ' LEU . 16.9 m -133.04 171.76 17.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 O-C-N 124.526 1.141 . . . . 0.0 109.304 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.478 ' O ' HG21 ' A' ' 12' ' ' ILE . 12.5 mt -118.11 179.07 4.2 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.539 1.149 . . . . 0.0 109.295 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.497 ' O ' ' CB ' ' A' ' 29' ' ' ASP . 0.4 OUTLIER -82.79 140.41 33.0 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.493 1.12 . . . . 0.0 109.309 179.971 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . 0.497 ' CB ' ' O ' ' A' ' 28' ' ' LYS . 2.1 t70 81.87 -3.67 1.54 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.504 1.127 . . . . 0.0 109.272 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 7.2 mt-10 -82.59 149.79 27.25 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.5 1.125 . . . . 0.0 110.3 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 89.1 t -123.17 125.56 72.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.5 1.125 . . . . 0.0 109.32 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.518 ' HG ' HG11 ' A' ' 26' ' ' VAL . 3.0 mm? -109.93 177.73 4.63 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.46 1.1 . . . . 0.0 109.289 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . 0.421 ' HG2' ' CD2' ' A' ' 35' ' ' LEU . 5.3 tt0 -104.89 121.68 44.21 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.462 1.101 . . . . 0.0 110.339 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.676 ' HA ' HD13 ' A' ' 44' ' ' LEU . 10.0 p -78.85 132.45 32.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.511 1.132 . . . . 0.0 109.266 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.795 HD11 ' HB2' ' A' ' 45' ' ' ARG . 0.3 OUTLIER -119.86 -42.41 2.61 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.533 1.146 . . . . 0.0 109.305 179.994 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -129.1 124.04 33.76 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.52 1.137 . . . . 0.0 110.285 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -134.7 174.99 9.96 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.51 1.131 . . . . 0.0 109.28 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 89.12 9.98 66.81 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.51 1.131 . . . . 0.0 110.992 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . 0.401 ' O ' ' C ' ' A' ' 40' ' ' GLN . 0.0 OUTLIER -126.65 165.03 19.98 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.504 0.767 . . . . 0.0 110.264 -179.962 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . 0.401 ' C ' ' O ' ' A' ' 39' ' ' ARG . 0.1 OUTLIER -38.93 -68.85 0.14 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.443 1.089 . . . . 0.0 110.229 179.99 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' TRP . . . . . 0.452 ' CZ3' ' HD3' ' A' ' 55' ' ' PRO . 10.8 m0 -105.61 134.89 47.98 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 108.0 -1.111 . . . . 0.0 108.0 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' TRP . . . . . 0.702 ' CE3' HD13 ' A' ' 59' ' ' LEU . 34.0 m0 -84.06 157.21 21.87 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 107.994 -1.113 . . . . 0.0 107.994 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . 0.503 ' HB2' ' CE1' ' A' ' 53' ' ' TYR . 9.8 tttp -110.53 99.81 8.73 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.531 1.144 . . . . 0.0 109.315 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.745 HD22 ' N ' ' A' ' 44' ' ' LEU . 0.6 OUTLIER -97.19 167.02 11.29 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.495 1.122 . . . . 0.0 109.302 -179.998 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . 0.795 ' HB2' HD11 ' A' ' 35' ' ' LEU . 10.2 ttp180 -132.23 132.01 42.67 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.531 1.145 . . . . 0.0 110.336 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . 0.509 ' HA ' HD12 ' A' ' 32' ' ' LEU . 84.5 p -83.73 167.05 17.52 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.477 1.11 . . . . 0.0 109.986 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 7.5 mmm180 -69.15 -8.52 46.26 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.47 1.106 . . . . 0.0 110.289 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 1.7 t -85.76 8.36 20.17 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.534 1.146 . . . . 0.0 109.997 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 74.77 13.54 82.19 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.503 1.127 . . . . 0.0 110.922 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 45.5 mm-40 -95.75 148.27 22.74 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.456 0.739 . . . . 0.0 110.334 179.938 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -134.77 129.67 34.97 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.485 1.116 . . . . 0.0 109.339 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . 0.47 ' CA ' ' HB2' ' A' ' 24' ' ' LEU . . . -150.12 161.03 28.78 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.456 1.097 . . . . 0.0 111.008 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' TYR . . . . . 0.503 ' CE1' ' HB2' ' A' ' 43' ' ' LYS . 49.4 m-85 -86.57 150.28 24.35 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.469 0.747 . . . . 0.0 110.986 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.648 ' CG2' HD23 ' A' ' 44' ' ' LEU . 0.0 OUTLIER -152.1 163.5 23.37 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.527 1.142 . . . . 0.0 109.298 -179.968 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' PRO . . . . . 0.452 ' HD3' ' CZ3' ' A' ' 41' ' ' TRP . 18.3 Cg_endo -74.97 138.41 23.08 Favored 'Trans proline' 0 C--N 1.359 1.106 0 O-C-N 124.493 1.786 . . . . 0.0 110.99 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' CYS . . . . . 0.579 ' HA ' HD12 ' A' ' 59' ' ' LEU . 31.9 p -78.39 -2.63 39.25 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.469 1.105 . . . . 0.0 108.307 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -68.35 -39.79 81.73 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.538 1.148 . . . . 0.0 109.329 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 17.5 pt -85.04 -20.52 8.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.531 1.145 . . . . 0.0 109.331 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.702 HD13 ' CE3' ' A' ' 42' ' ' TRP . 84.1 mt -64.46 164.91 10.69 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.464 1.103 . . . . 0.0 109.329 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . 0.451 ' H ' HG22 ' A' ' 10' ' ' VAL . . . . . . . . 0 CA--C 1.53 0.991 0 O-C-N 124.485 1.116 . . . . 0.0 111.019 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . 0.412 ' O ' HG12 ' A' ' 34' ' ' VAL . 0.7 OUTLIER . . . . . 0 N--CA 1.453 -0.295 0 N-CA-C 109.32 -0.622 . . . . 0.0 109.32 . . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' TYR . . . . . 0.506 ' CE2' ' HG3' ' A' ' 33' ' ' GLU . 56.8 m-85 -138.98 176.45 8.68 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.471 1.107 . . . . 0.0 110.973 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . 0.677 HG21 ' HB3' ' A' ' 59' ' ' LEU . 8.8 p -136.15 142.54 38.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.501 1.126 . . . . 0.0 109.286 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 13.3 tttt -100.61 125.17 46.98 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.472 1.107 . . . . 0.0 109.25 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.516 HD12 HG21 ' A' ' 26' ' ' VAL . 14.5 mm -72.89 128.48 35.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.468 1.105 . . . . 0.0 109.276 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 54.7 mt -91.78 -28.95 17.04 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.496 1.123 . . . . 0.0 109.301 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . 0.457 ' O ' ' CG2' ' A' ' 12' ' ' ILE . 97.0 m-85 -133.28 142.59 48.58 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.545 1.153 . . . . 0.0 110.993 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -72.83 115.0 11.6 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.476 1.11 . . . . 0.0 109.281 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . 0.558 ' CE2' HG12 ' A' ' 54' ' ' VAL . 62.0 t80 -112.2 148.33 34.31 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.475 1.109 . . . . 0.0 111.014 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.4 ' O ' ' C ' ' A' ' 18' ' ' ALA . 16.4 m -123.95 115.25 20.94 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.478 1.111 . . . . 0.0 110.415 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 0.4 ' C ' ' O ' ' A' ' 17' ' ' THR . . . . . . . . 0 C--N 1.325 -0.467 0 O-C-N 124.527 1.142 . . . . 0.0 109.301 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 19.9 mt-10 . . . . . 0 N--CA 1.453 -0.289 0 N-CA-C 110.289 -0.263 . . . . 0.0 110.289 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.615 HD13 ' N ' ' A' ' 52' ' ' GLY . 5.0 tp -117.59 142.59 47.03 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.54 1.15 . . . . 0.0 109.326 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 1.1 m -96.97 118.96 34.54 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.473 1.108 . . . . 0.0 110.031 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.516 HG21 HD12 ' A' ' 12' ' ' ILE . 23.2 m -133.93 147.95 30.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.522 1.139 . . . . 0.0 109.328 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 5.0 mp -94.83 178.87 5.43 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.467 1.104 . . . . 0.0 109.225 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.438 ' O ' ' CB ' ' A' ' 29' ' ' ASP . 0.3 OUTLIER -82.22 137.88 34.79 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.518 1.136 . . . . 0.0 109.275 -179.989 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . 0.438 ' CB ' ' O ' ' A' ' 28' ' ' LYS . 5.7 t0 77.13 24.54 0.84 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.509 1.131 . . . . 0.0 109.33 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 11.0 mt-10 -106.6 152.15 24.11 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.515 1.134 . . . . 0.0 110.345 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.433 ' C ' HD22 ' A' ' 32' ' ' LEU . 91.0 t -123.15 125.37 71.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.511 1.132 . . . . 0.0 109.269 -179.942 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.51 HD22 ' N ' ' A' ' 32' ' ' LEU . 2.8 mm? -112.26 175.82 5.28 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.481 1.113 . . . . 0.0 109.292 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . 0.506 ' HG3' ' CE2' ' A' ' 9' ' ' TYR . 3.0 tt0 -100.52 111.93 24.23 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.508 1.13 . . . . 0.0 110.272 -179.938 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.412 HG12 ' O ' ' A' ' 8' ' ' LYS . 13.1 p -73.36 130.44 35.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.491 1.119 . . . . 0.0 109.296 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.722 HD11 ' HB2' ' A' ' 45' ' ' ARG . 5.7 mt -112.78 -50.93 2.86 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.49 1.118 . . . . 0.0 109.288 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -115.34 124.7 51.94 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.508 1.13 . . . . 0.0 110.294 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 1.9 p-10 -129.99 176.23 8.23 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.478 1.111 . . . . 0.0 109.287 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 72.46 17.29 77.69 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.528 1.143 . . . . 0.0 111.023 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -127.27 164.5 21.6 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.509 0.77 . . . . 0.0 110.277 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 27.3 mt-30 -39.76 -68.72 0.16 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.482 1.114 . . . . 0.0 110.309 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' TRP . . . . . 0.572 ' CZ3' ' HD3' ' A' ' 55' ' ' PRO . 11.6 m0 -109.81 137.87 46.99 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 0.0 108.046 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' TRP . . . . . 0.62 ' CE3' HD13 ' A' ' 59' ' ' LEU . 45.9 m0 -82.84 156.0 23.86 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.523 1.14 . . . . 0.0 107.976 -179.934 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . 0.563 ' HB2' ' CE1' ' A' ' 53' ' ' TYR . 70.4 tttt -113.24 99.91 8.17 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.481 1.113 . . . . 0.0 109.286 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.795 HD23 ' CG2' ' A' ' 54' ' ' VAL . 0.4 OUTLIER -95.16 167.01 11.63 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.475 1.11 . . . . 0.0 109.261 -179.987 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . 0.722 ' HB2' HD11 ' A' ' 35' ' ' LEU . 10.7 ttp180 -136.06 120.25 17.8 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.521 1.138 . . . . 0.0 110.265 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 6.8 p -69.32 153.22 43.95 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.516 1.135 . . . . 0.0 109.959 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -54.4 -22.52 12.67 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.541 1.151 . . . . 0.0 110.308 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -69.84 -12.05 61.33 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.478 1.111 . . . . 0.0 109.997 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 102.58 -15.21 56.09 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.563 1.164 . . . . 0.0 111.04 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 2.0 mm-40 -63.64 155.35 30.08 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.52 0.776 . . . . 0.0 110.312 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . 0.407 ' C ' HD13 ' A' ' 24' ' ' LEU . . . -142.68 130.78 21.92 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.456 1.098 . . . . 0.0 109.292 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . 0.615 ' N ' HD13 ' A' ' 24' ' ' LEU . . . -150.06 164.53 29.65 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.458 1.099 . . . . 0.0 111.035 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' TYR . . . . . 0.563 ' CE1' ' HB2' ' A' ' 43' ' ' LYS . 54.0 m-85 -96.59 148.7 22.57 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.513 0.772 . . . . 0.0 110.998 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.795 ' CG2' HD23 ' A' ' 44' ' ' LEU . 0.0 OUTLIER -149.91 164.49 20.54 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.491 1.119 . . . . 0.0 109.255 -179.967 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' PRO . . . . . 0.572 ' HD3' ' CZ3' ' A' ' 41' ' ' TRP . 18.5 Cg_endo -74.97 142.32 27.82 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.513 1.796 . . . . 0.0 111.006 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' CYS . . . . . 0.62 ' HA ' HD12 ' A' ' 59' ' ' LEU . 31.9 p -78.06 -3.42 42.15 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.491 1.119 . . . . 0.0 108.284 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -66.52 -43.43 85.23 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.558 1.161 . . . . 0.0 109.266 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 8.7 pt -81.24 -26.36 10.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.47 1.106 . . . . 0.0 109.309 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.677 ' HB3' HG21 ' A' ' 10' ' ' VAL . 88.9 mt -65.92 159.43 25.63 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.464 1.103 . . . . 0.0 109.318 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . 0.538 ' O ' HG23 ' A' ' 10' ' ' VAL . . . . . . . . 0 CA--C 1.53 1.015 0 O-C-N 124.474 1.109 . . . . 0.0 111.017 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . 0.481 ' O ' HG12 ' A' ' 34' ' ' VAL . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.314 0 N-CA-C 109.352 -0.61 . . . . 0.0 109.352 . . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' TYR . . . . . 0.561 ' CE2' ' HG3' ' A' ' 33' ' ' GLU . 91.4 m-85 -135.95 162.47 32.75 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.495 1.122 . . . . 0.0 110.998 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . 0.491 HG21 ' HB3' ' A' ' 59' ' ' LEU . 8.8 p -121.18 137.37 55.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.473 1.108 . . . . 0.0 109.305 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -103.58 103.88 13.87 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.527 1.142 . . . . 0.0 109.287 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.422 HG21 ' O ' ' A' ' 27' ' ' LEU . 33.2 mm -46.61 149.37 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.551 1.157 . . . . 0.0 109.304 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 69.3 mt -113.38 -35.9 5.15 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.55 1.156 . . . . 0.0 109.267 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 85.0 m-85 -129.68 142.19 50.77 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.423 1.077 . . . . 0.0 111.034 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -72.08 109.42 5.86 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.558 1.161 . . . . 0.0 109.294 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . 0.488 ' CD2' HG12 ' A' ' 54' ' ' VAL . 46.4 t80 -103.27 147.93 26.46 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.474 1.109 . . . . 0.0 111.004 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.403 ' O ' ' C ' ' A' ' 18' ' ' ALA . 4.1 m -114.89 99.14 7.26 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.472 1.108 . . . . 0.0 110.393 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 0.696 ' HB2' ' C ' ' A' ' 24' ' ' LEU . . . . . . . . 0 C--N 1.325 -0.457 0 O-C-N 124.47 1.106 . . . . 0.0 109.306 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 65.9 mt-10 . . . . . 0 N--CA 1.453 -0.311 0 N-CA-C 110.3 -0.259 . . . . 0.0 110.3 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.696 ' C ' ' HB2' ' A' ' 18' ' ' ALA . 5.5 tp -125.34 142.58 51.42 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.547 1.155 . . . . 0.0 109.3 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . 0.434 ' N ' ' HB2' ' A' ' 18' ' ' ALA . 0.4 OUTLIER -95.84 120.58 36.36 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.488 1.118 . . . . 0.0 110.031 179.989 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 11.2 m -133.66 146.65 31.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.523 1.139 . . . . 0.0 109.288 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.422 ' O ' HG21 ' A' ' 12' ' ' ILE . 5.8 mp -95.42 179.2 5.25 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.505 1.128 . . . . 0.0 109.308 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.484 ' O ' ' CB ' ' A' ' 29' ' ' ASP . 0.0 OUTLIER -83.05 136.23 34.56 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.52 1.138 . . . . 0.0 109.277 -179.991 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . 0.484 ' CB ' ' O ' ' A' ' 28' ' ' LYS . 1.4 t70 80.83 21.69 0.4 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.461 1.1 . . . . 0.0 109.277 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 4.6 mt-10 -97.92 159.66 14.79 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.486 1.116 . . . . 0.0 110.303 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 69.2 t -131.31 117.94 38.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.544 1.152 . . . . 0.0 109.267 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.433 HD12 ' HA ' ' A' ' 46' ' ' SER . 3.2 mm? -108.46 172.47 6.82 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.504 1.127 . . . . 0.0 109.307 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . 0.561 ' HG3' ' CE2' ' A' ' 9' ' ' TYR . 3.1 tt0 -101.16 109.07 20.9 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.491 1.119 . . . . 0.0 110.331 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.481 HG12 ' O ' ' A' ' 8' ' ' LYS . 9.8 p -70.69 133.09 32.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.499 1.124 . . . . 0.0 109.317 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.731 HD11 ' HB2' ' A' ' 45' ' ' ARG . 1.7 mt -119.18 -46.61 2.51 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.511 1.132 . . . . 0.0 109.334 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -123.27 123.98 41.96 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.505 1.128 . . . . 0.0 110.254 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 2.2 p-10 -133.39 176.45 8.51 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.497 1.123 . . . . 0.0 109.275 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 82.21 14.81 75.95 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.489 1.118 . . . . 0.0 111.0 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 6.2 mtt85 -127.73 165.52 19.91 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.489 0.758 . . . . 0.0 110.309 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 62.2 mt-30 -39.35 -63.8 0.52 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.522 1.139 . . . . 0.0 110.327 179.936 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' TRP . . . . . 0.578 ' CZ3' ' HD3' ' A' ' 55' ' ' PRO . 11.6 m0 -113.05 138.14 50.35 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.465 1.103 . . . . 0.0 108.026 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' TRP . . . . . 0.443 ' CE3' HD13 ' A' ' 59' ' ' LEU . 42.1 m0 -84.49 156.19 21.82 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.495 1.122 . . . . 0.0 107.993 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . 0.568 ' HB2' ' CE1' ' A' ' 53' ' ' TYR . 5.8 tttt -112.46 99.91 8.35 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.51 1.131 . . . . 0.0 109.287 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.803 HD23 ' CG2' ' A' ' 54' ' ' VAL . 0.2 OUTLIER -98.87 164.95 12.0 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.509 1.131 . . . . 0.0 109.27 179.992 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . 0.731 ' HB2' HD11 ' A' ' 35' ' ' LEU . 38.2 ttm180 -132.68 123.9 27.2 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.481 1.113 . . . . 0.0 110.294 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . 0.433 ' HA ' HD12 ' A' ' 32' ' ' LEU . 0.9 OUTLIER -74.46 166.33 23.7 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.52 1.138 . . . . 0.0 110.022 179.975 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.19 -8.83 53.08 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.513 1.133 . . . . 0.0 110.33 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 3.8 t -85.93 11.41 11.48 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.508 1.13 . . . . 0.0 110.036 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 73.06 13.19 79.44 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.479 1.112 . . . . 0.0 111.02 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 10.5 mm100 -94.32 146.41 24.05 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.49 0.759 . . . . 0.0 110.29 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -134.82 129.06 33.92 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.488 1.118 . . . . 0.0 109.295 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . 0.447 ' N ' HD13 ' A' ' 24' ' ' LEU . . . -150.16 164.21 29.63 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.492 1.12 . . . . 0.0 111.0 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' TYR . . . . . 0.568 ' CE1' ' HB2' ' A' ' 43' ' ' LYS . 50.7 m-85 -93.78 152.48 18.9 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.511 0.771 . . . . 0.0 111.024 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.803 ' CG2' HD23 ' A' ' 44' ' ' LEU . 0.0 OUTLIER -151.89 163.01 25.0 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.516 1.135 . . . . 0.0 109.321 179.996 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' PRO . . . . . 0.578 ' HD3' ' CZ3' ' A' ' 41' ' ' TRP . 18.2 Cg_endo -75.04 145.64 31.54 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.425 1.75 . . . . 0.0 110.935 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 17.3 p -82.57 -1.13 49.82 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.504 1.128 . . . . 0.0 108.335 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -70.39 -24.1 62.89 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.495 1.122 . . . . 0.0 109.266 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 8.0 pt -104.4 -20.88 5.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.484 1.115 . . . . 0.0 109.314 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.491 ' HB3' HG21 ' A' ' 10' ' ' VAL . 73.2 mt -74.43 159.91 31.68 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.461 1.1 . . . . 0.0 109.28 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.022 0 O-C-N 124.467 1.104 . . . . 0.0 110.988 179.957 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . 0.439 ' O ' HG12 ' A' ' 34' ' ' VAL . 2.2 mmtp . . . . . 0 N--CA 1.453 -0.31 0 N-CA-C 109.282 -0.636 . . . . 0.0 109.282 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 67.6 m-85 -133.02 175.97 8.9 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.46 1.1 . . . . 0.0 110.96 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . 0.551 HG21 ' HB3' ' A' ' 59' ' ' LEU . 4.1 p -139.28 132.98 38.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.555 1.159 . . . . 0.0 109.277 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 10.4 tttt -97.1 116.39 29.23 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.47 1.107 . . . . 0.0 109.291 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.448 ' CG2' ' O ' ' A' ' 14' ' ' TYR . 39.1 mm -63.34 128.1 24.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.495 1.122 . . . . 0.0 109.31 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 86.5 mt -91.33 -29.24 17.24 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.544 1.152 . . . . 0.0 109.306 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . 0.448 ' O ' ' CG2' ' A' ' 12' ' ' ILE . 82.1 m-85 -137.43 144.76 42.52 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.438 1.086 . . . . 0.0 110.969 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -71.54 123.1 21.71 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.431 1.082 . . . . 0.0 109.317 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . 0.683 ' CD2' HG12 ' A' ' 54' ' ' VAL . 67.3 t80 -118.47 137.57 53.09 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.416 1.073 . . . . 0.0 111.032 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 57.9 m -104.69 103.85 13.56 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.527 1.142 . . . . 0.0 110.397 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 0.641 ' HB2' ' C ' ' A' ' 24' ' ' LEU . . . . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.569 1.168 . . . . 0.0 109.318 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 53.5 mt-10 . . . . . 0 N--CA 1.452 -0.328 0 N-CA-C 110.295 -0.261 . . . . 0.0 110.295 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.641 ' C ' ' HB2' ' A' ' 18' ' ' ALA . 5.4 tp -108.87 137.66 46.45 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.5 1.125 . . . . 0.0 109.35 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 8.4 p -92.12 120.58 32.87 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.495 1.122 . . . . 0.0 110.015 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.451 HG11 ' HG ' ' A' ' 32' ' ' LEU . 35.7 m -132.99 167.74 25.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.517 1.136 . . . . 0.0 109.327 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 17.8 mt -121.61 179.06 4.58 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.537 1.148 . . . . 0.0 109.303 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.46 ' O ' ' CB ' ' A' ' 29' ' ' ASP . 12.5 tttt -81.91 138.24 35.04 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.477 1.111 . . . . 0.0 109.306 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . 0.46 ' CB ' ' O ' ' A' ' 28' ' ' LYS . 3.7 m-20 78.86 23.76 0.57 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.527 1.142 . . . . 0.0 109.261 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 8.3 mt-10 -106.31 161.38 14.61 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.467 1.105 . . . . 0.0 110.309 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.428 ' C ' HD22 ' A' ' 32' ' ' LEU . 80.1 t -133.45 118.17 30.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.507 1.129 . . . . 0.0 109.308 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.552 HD22 ' N ' ' A' ' 32' ' ' LEU . 2.4 mm? -105.71 178.82 4.45 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.467 1.105 . . . . 0.0 109.301 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . 0.462 ' HG2' ' CD2' ' A' ' 35' ' ' LEU . 8.1 tt0 -107.49 120.25 41.66 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.539 1.149 . . . . 0.0 110.267 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.617 ' HA ' HD13 ' A' ' 44' ' ' LEU . 9.8 p -77.17 132.87 31.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.444 1.09 . . . . 0.0 109.277 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.917 HD11 ' HB2' ' A' ' 45' ' ' ARG . 3.5 mt -118.18 -46.85 2.59 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.499 1.124 . . . . 0.0 109.273 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -125.48 124.88 42.35 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.536 1.147 . . . . 0.0 110.315 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 1.7 p-10 -134.31 173.18 11.9 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.533 1.146 . . . . 0.0 109.274 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 96.93 -13.25 65.25 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.463 1.102 . . . . 0.0 111.038 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -107.8 165.87 11.12 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.575 0.809 . . . . 0.0 110.286 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -39.02 -80.74 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.498 1.124 . . . . 0.0 110.297 -179.935 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' TRP . . . . . 0.571 ' CZ3' ' HD3' ' A' ' 55' ' ' PRO . 11.4 m0 -89.99 138.54 31.42 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.491 1.119 . . . . 0.0 108.021 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' TRP . . . . . 0.682 ' CE3' HD13 ' A' ' 59' ' ' LEU . 25.5 m0 -91.51 156.7 17.5 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.493 1.121 . . . . 0.0 107.993 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . 0.509 ' HB2' ' CE1' ' A' ' 53' ' ' TYR . 25.9 tttt -110.3 99.87 8.84 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.492 1.12 . . . . 0.0 109.337 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.736 HD22 ' N ' ' A' ' 44' ' ' LEU . 0.6 OUTLIER -95.0 166.84 11.74 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.493 1.12 . . . . 0.0 109.283 -179.954 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . 0.917 ' HB2' HD11 ' A' ' 35' ' ' LEU . 21.9 ttp180 -133.23 132.64 41.73 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.489 1.118 . . . . 0.0 110.28 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 20.7 p -84.4 168.16 15.81 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.486 1.116 . . . . 0.0 110.009 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.55 -7.24 36.68 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.436 1.085 . . . . 0.0 110.291 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -86.8 8.48 22.6 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.444 1.09 . . . . 0.0 110.03 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 74.61 14.55 81.11 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.496 1.123 . . . . 0.0 111.006 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . 0.486 ' O ' ' CG ' ' A' ' 45' ' ' ARG . 0.7 OUTLIER -94.75 154.91 17.07 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.483 0.755 . . . . 0.0 110.298 179.989 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -141.05 131.1 24.63 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.445 1.09 . . . . 0.0 109.297 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . 0.497 ' N ' HD13 ' A' ' 24' ' ' LEU . . . -149.91 165.11 29.69 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.458 1.099 . . . . 0.0 111.026 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' TYR . . . . . 0.509 ' CE1' ' HB2' ' A' ' 43' ' ' LYS . 62.3 m-85 -94.52 149.37 21.31 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.469 0.746 . . . . 0.0 111.011 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.698 ' CG2' HD23 ' A' ' 44' ' ' LEU . 0.0 OUTLIER -150.44 163.31 24.65 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.462 1.101 . . . . 0.0 109.324 179.981 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' PRO . . . . . 0.571 ' HD3' ' CZ3' ' A' ' 41' ' ' TRP . 18.2 Cg_endo -75.02 143.53 29.1 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.522 1.801 . . . . 0.0 110.993 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' CYS . . . . . 0.424 ' HA ' HD12 ' A' ' 59' ' ' LEU . 25.9 p -83.37 3.34 32.16 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.531 1.144 . . . . 0.0 108.338 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -78.67 -24.5 45.07 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.518 1.136 . . . . 0.0 109.28 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . 0.413 ' CD1' ' HB2' ' A' ' 16' ' ' PHE . 32.0 pt -100.38 -19.92 5.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.434 1.084 . . . . 0.0 109.255 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.682 HD13 ' CE3' ' A' ' 42' ' ' TRP . 96.8 mt -66.85 172.14 4.67 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.531 1.145 . . . . 0.0 109.333 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . 0.443 ' H ' HG22 ' A' ' 10' ' ' VAL . . . . . . . . 0 CA--C 1.53 1.0 0 O-C-N 124.529 1.143 . . . . 0.0 111.016 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.294 0 N-CA-C 109.344 -0.613 . . . . 0.0 109.344 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 55.0 m-85 -139.83 171.14 14.65 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.52 1.137 . . . . 0.0 111.001 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 9.7 p -136.24 139.42 45.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.44 1.088 . . . . 0.0 109.346 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . 0.404 ' HA ' ' O ' ' A' ' 30' ' ' GLU . 3.0 tttt -110.1 111.22 22.44 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.51 1.131 . . . . 0.0 109.341 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.403 ' CG1' HD23 ' A' ' 32' ' ' LEU . 28.3 mm -52.54 145.14 2.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.462 1.101 . . . . 0.0 109.303 -179.951 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 71.1 mt -109.16 -31.64 7.51 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.511 1.132 . . . . 0.0 109.282 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 89.8 m-85 -132.23 143.79 50.18 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.502 1.126 . . . . 0.0 110.963 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 3.3 p30 -71.89 117.64 13.74 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.468 1.105 . . . . 0.0 109.286 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 76.6 t80 -116.99 155.71 28.71 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.509 1.131 . . . . 0.0 111.014 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 23.2 m -123.04 110.34 15.22 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.533 1.146 . . . . 0.0 110.453 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 0.645 ' HB2' ' C ' ' A' ' 24' ' ' LEU . . . . . . . . 0 C--N 1.324 -0.504 0 O-C-N 124.469 1.106 . . . . 0.0 109.266 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 29.8 mt-10 . . . . . 0 N--CA 1.453 -0.302 0 N-CA-C 110.303 -0.258 . . . . 0.0 110.303 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.645 ' C ' ' HB2' ' A' ' 18' ' ' ALA . 5.1 tp -105.52 138.51 41.59 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.53 1.144 . . . . 0.0 109.289 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . 0.489 ' N ' ' HB2' ' A' ' 18' ' ' ALA . 3.1 p -92.57 116.71 29.24 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.532 1.145 . . . . 0.0 109.988 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 35.9 m -125.0 173.82 10.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.509 1.13 . . . . 0.0 109.306 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 12.7 mt -127.93 179.14 5.72 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.493 1.121 . . . . 0.0 109.343 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.44 ' HG2' ' N ' ' A' ' 29' ' ' ASP . 7.2 tttt -78.69 149.49 32.78 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.482 1.113 . . . . 0.0 109.296 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . 0.44 ' N ' ' HG2' ' A' ' 28' ' ' LYS . 1.1 m-20 60.23 39.52 19.06 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.506 1.129 . . . . 0.0 109.323 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . 0.404 ' O ' ' HA ' ' A' ' 11' ' ' LYS . 23.8 mt-10 -116.46 160.23 20.89 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.473 1.108 . . . . 0.0 110.291 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 89.7 t -130.13 120.49 49.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.497 1.123 . . . . 0.0 109.322 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.481 HD22 ' N ' ' A' ' 32' ' ' LEU . 3.0 mm? -110.75 174.64 5.77 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.457 1.098 . . . . 0.0 109.288 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . 0.451 ' HG2' ' CD2' ' A' ' 35' ' ' LEU . 8.1 tt0 -105.03 108.47 20.01 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.544 1.153 . . . . 0.0 110.317 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 13.3 p -72.86 128.26 35.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.52 1.137 . . . . 0.0 109.279 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.617 HD11 ' HB2' ' A' ' 45' ' ' ARG . 0.3 OUTLIER -110.83 -43.61 3.77 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.485 1.115 . . . . 0.0 109.29 179.97 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 4.4 mt-10 -129.47 128.66 43.35 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.508 1.13 . . . . 0.0 110.274 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 2.1 p-10 -137.72 171.99 13.62 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.5 1.125 . . . . 0.0 109.243 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 97.81 -4.58 61.39 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.491 1.12 . . . . 0.0 111.005 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -110.73 163.44 13.76 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.532 0.784 . . . . 0.0 110.312 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 4.0 pt20 -42.09 -53.17 4.05 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.521 1.138 . . . . 0.0 110.335 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' TRP . . . . . 0.509 ' CE3' ' C ' ' A' ' 54' ' ' VAL . 14.1 m95 -115.55 135.44 54.08 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.559 1.162 . . . . 0.0 107.973 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' TRP . . . . . 0.831 ' CE3' HD13 ' A' ' 59' ' ' LEU . 41.8 m0 -88.05 162.14 16.96 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.514 1.134 . . . . 0.0 108.008 179.949 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . 0.484 ' HB2' ' CE1' ' A' ' 53' ' ' TYR . 32.2 tttt -116.9 99.93 7.42 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.528 1.143 . . . . 0.0 109.278 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.785 HD23 ' CG2' ' A' ' 54' ' ' VAL . 0.1 OUTLIER -99.33 166.7 11.07 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.499 1.124 . . . . 0.0 109.274 179.992 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . 0.617 ' HB2' HD11 ' A' ' 35' ' ' LEU . 17.8 ttp180 -135.38 125.73 26.54 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.558 1.161 . . . . 0.0 110.285 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 36.6 p -76.22 167.48 21.78 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.503 1.127 . . . . 0.0 110.023 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.37 -9.09 51.87 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.539 1.15 . . . . 0.0 110.288 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -84.49 7.98 18.03 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.538 1.149 . . . . 0.0 110.044 179.929 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 75.06 12.46 83.39 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.462 1.102 . . . . 0.0 110.977 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 6.0 mt-30 -93.05 149.18 21.4 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.54 0.788 . . . . 0.0 110.29 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -135.35 130.28 34.73 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.49 1.119 . . . . 0.0 109.315 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . 0.455 ' CA ' ' HB2' ' A' ' 24' ' ' LEU . . . -150.31 163.87 29.61 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.493 1.121 . . . . 0.0 111.014 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' TYR . . . . . 0.484 ' CE1' ' HB2' ' A' ' 43' ' ' LYS . 49.2 m-85 -94.82 149.16 21.54 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.488 0.758 . . . . 0.0 110.964 -179.943 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.785 ' CG2' HD23 ' A' ' 44' ' ' LEU . 0.0 OUTLIER -150.49 164.62 19.81 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.519 1.137 . . . . 0.0 109.251 -179.988 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' PRO . . . . . 0.477 ' HD3' ' CZ3' ' A' ' 41' ' ' TRP . 18.0 Cg_endo -75.08 146.96 33.0 Favored 'Trans proline' 0 C--N 1.361 1.202 0 O-C-N 124.468 1.773 . . . . 0.0 110.982 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 20.8 p -85.25 -1.89 57.44 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.502 1.127 . . . . 0.0 108.282 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 1.6 m-20 -71.67 -22.0 61.73 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.486 1.116 . . . . 0.0 109.28 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 17.2 pt -104.22 -22.02 5.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.504 1.128 . . . . 0.0 109.285 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.831 HD13 ' CE3' ' A' ' 42' ' ' TRP . 87.9 mt -66.03 168.36 8.42 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.493 1.121 . . . . 0.0 109.318 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.985 0 O-C-N 124.501 1.126 . . . . 0.0 110.982 -179.968 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.452 -0.337 0 N-CA-C 109.277 -0.638 . . . . 0.0 109.277 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 99.1 m-85 -143.58 172.92 12.13 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.483 1.115 . . . . 0.0 110.961 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 8.1 p -132.17 142.96 41.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.452 1.095 . . . . 0.0 109.277 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -104.9 123.16 47.25 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.551 1.157 . . . . 0.0 109.242 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.688 HG21 HG23 ' A' ' 26' ' ' VAL . 13.5 mm -74.66 114.24 14.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.491 1.119 . . . . 0.0 109.268 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 40.4 mt -81.19 -28.64 34.85 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.481 1.113 . . . . 0.0 109.345 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . 0.606 ' O ' HG22 ' A' ' 12' ' ' ILE . 92.8 m-85 -131.82 143.24 50.05 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.514 1.134 . . . . 0.0 111.016 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -73.96 110.9 8.62 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.514 1.134 . . . . 0.0 109.287 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . 0.62 ' CE2' HG12 ' A' ' 54' ' ' VAL . 80.6 t80 -101.79 146.45 27.77 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.536 1.148 . . . . 0.0 110.974 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 54.2 m -121.04 117.38 27.09 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.471 1.107 . . . . 0.0 110.381 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.492 1.12 . . . . 0.0 109.286 -179.969 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 38.0 mt-10 . . . . . 0 N--CA 1.453 -0.294 0 N-CA-C 110.291 -0.263 . . . . 0.0 110.291 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.53 HD13 ' N ' ' A' ' 52' ' ' GLY . 6.3 tp -105.79 148.42 27.53 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.512 1.132 . . . . 0.0 109.315 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 14.1 p -102.1 123.04 45.27 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.505 1.128 . . . . 0.0 110.021 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.688 HG23 HG21 ' A' ' 12' ' ' ILE . 29.0 m -135.8 161.23 38.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.494 1.121 . . . . 0.0 109.307 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 2.1 mm? -109.04 178.67 4.39 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.478 1.112 . . . . 0.0 109.287 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.415 ' O ' ' CB ' ' A' ' 29' ' ' ASP . 1.2 tttt -83.45 138.87 33.27 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.49 1.119 . . . . 0.0 109.343 179.937 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . 0.415 ' CB ' ' O ' ' A' ' 28' ' ' LYS . 0.8 OUTLIER 77.02 21.82 1.09 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.521 1.138 . . . . 0.0 109.29 179.994 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 14.4 mt-10 -103.65 155.41 18.58 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.51 1.131 . . . . 0.0 110.25 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 68.9 t -126.03 111.46 26.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.461 1.101 . . . . 0.0 109.304 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.419 HD13 ' HA ' ' A' ' 32' ' ' LEU . 3.0 mm? -100.72 171.38 7.73 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.509 1.13 . . . . 0.0 109.286 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 3.0 tt0 -96.42 114.04 25.68 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.124 . . . . 0.0 110.295 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.41 ' HA ' ' CD1' ' A' ' 44' ' ' LEU . 12.5 p -74.5 133.35 31.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.48 1.112 . . . . 0.0 109.286 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.799 HD11 ' HB2' ' A' ' 45' ' ' ARG . 13.5 mt -115.69 -50.21 2.71 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.556 1.16 . . . . 0.0 109.313 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -117.62 125.45 50.78 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.525 1.141 . . . . 0.0 110.315 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 1.9 p-10 -132.87 174.73 10.02 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.501 1.126 . . . . 0.0 109.28 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 75.27 14.99 81.42 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.504 1.127 . . . . 0.0 110.971 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . 0.402 ' O ' ' C ' ' A' ' 40' ' ' GLN . 3.6 mtt180 -128.02 166.14 18.95 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.519 0.776 . . . . 0.0 110.301 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . 0.402 ' C ' ' O ' ' A' ' 39' ' ' ARG . 16.2 mt-30 -38.59 -69.66 0.12 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.501 1.126 . . . . 0.0 110.284 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' TRP . . . . . 0.586 ' CZ3' ' HD3' ' A' ' 55' ' ' PRO . 12.2 m0 -110.78 136.54 49.68 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 107.954 -1.128 . . . . 0.0 107.954 -179.95 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' TRP . . . . . 0.503 ' CE3' HD13 ' A' ' 59' ' ' LEU . 40.9 m0 -83.42 157.13 22.59 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.486 1.116 . . . . 0.0 107.99 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . 0.568 ' HB2' ' CE1' ' A' ' 53' ' ' TYR . 60.2 tttt -111.55 99.78 8.46 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.547 1.154 . . . . 0.0 109.283 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.831 HD23 ' CG2' ' A' ' 54' ' ' VAL . 0.4 OUTLIER -94.2 167.03 11.82 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.47 1.106 . . . . 0.0 109.27 179.984 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . 0.799 ' HB2' HD11 ' A' ' 35' ' ' LEU . 29.6 ttm-85 -145.71 133.16 20.75 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.484 1.115 . . . . 0.0 110.35 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 13.8 t -91.29 170.44 9.99 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.465 1.103 . . . . 0.0 110.016 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.54 -10.28 57.47 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.462 1.101 . . . . 0.0 110.329 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -79.97 1.91 25.61 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.502 1.126 . . . . 0.0 110.029 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 77.7 17.46 78.8 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.493 1.121 . . . . 0.0 111.011 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . 0.44 ' O ' ' CG ' ' A' ' 45' ' ' ARG . 35.8 mm-40 -94.95 145.97 24.56 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.501 0.766 . . . . 0.0 110.317 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . 0.429 ' CA ' HD13 ' A' ' 24' ' ' LEU . . . -140.52 129.01 22.71 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.505 1.128 . . . . 0.0 109.287 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . 0.53 ' N ' HD13 ' A' ' 24' ' ' LEU . . . -150.29 168.2 30.22 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.498 1.124 . . . . 0.0 111.019 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' TYR . . . . . 0.568 ' CE1' ' HB2' ' A' ' 43' ' ' LYS . 53.9 m-85 -102.13 139.05 38.27 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.463 0.743 . . . . 0.0 111.034 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.831 ' CG2' HD23 ' A' ' 44' ' ' LEU . 0.0 OUTLIER -137.58 164.86 38.4 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.464 1.103 . . . . 0.0 109.305 179.984 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' PRO . . . . . 0.586 ' HD3' ' CZ3' ' A' ' 41' ' ' TRP . 18.3 Cg_endo -75.0 147.58 34.1 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.479 1.779 . . . . 0.0 111.002 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 26.5 p -85.86 6.02 30.15 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.532 1.145 . . . . 0.0 108.278 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -77.87 -26.18 49.11 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.514 1.134 . . . . 0.0 109.312 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . 0.469 HD12 ' HB2' ' A' ' 16' ' ' PHE . 15.3 pt -102.54 -22.26 4.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.465 1.103 . . . . 0.0 109.325 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.503 HD13 ' CE3' ' A' ' 42' ' ' TRP . 78.3 mt -65.27 163.29 15.64 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.526 1.141 . . . . 0.0 109.327 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.976 0 O-C-N 124.504 1.127 . . . . 0.0 111.005 -179.972 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 3.9 ttpt . . . . . 0 N--CA 1.452 -0.328 0 N-CA-C 109.325 -0.62 . . . . 0.0 109.325 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 95.5 m-85 -145.9 168.25 21.28 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.453 1.096 . . . . 0.0 110.976 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . 0.535 HG23 ' O ' ' A' ' 60' ' ' GLY . 6.0 p -137.63 140.68 40.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.527 1.142 . . . . 0.0 109.35 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -99.47 123.82 44.07 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.469 1.106 . . . . 0.0 109.285 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.502 ' CG2' ' O ' ' A' ' 14' ' ' TYR . 46.6 mm -69.98 109.1 2.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.545 1.153 . . . . 0.0 109.309 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 67.5 mt -75.34 -24.27 57.33 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.521 1.138 . . . . 0.0 109.244 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . 0.502 ' O ' ' CG2' ' A' ' 12' ' ' ILE . 88.5 m-85 -143.45 138.75 29.51 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.524 1.14 . . . . 0.0 110.969 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 7.3 p30 -65.96 138.19 57.66 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.491 1.119 . . . . 0.0 109.264 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . 0.438 ' CD2' HG12 ' A' ' 54' ' ' VAL . 74.7 t80 -131.84 130.02 41.18 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.468 1.105 . . . . 0.0 110.996 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 54.7 m -100.63 104.11 15.42 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.51 1.131 . . . . 0.0 110.379 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 0.649 ' HB2' ' C ' ' A' ' 24' ' ' LEU . . . . . . . . 0 C--N 1.324 -0.512 0 O-C-N 124.539 1.149 . . . . 0.0 109.245 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 55.3 mt-10 . . . . . 0 N--CA 1.454 -0.266 0 N-CA-C 110.293 -0.262 . . . . 0.0 110.293 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.649 ' C ' ' HB2' ' A' ' 18' ' ' ALA . 4.5 tp -102.16 142.36 33.54 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.505 1.128 . . . . 0.0 109.286 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 2.4 p -97.75 114.61 26.65 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.513 1.133 . . . . 0.0 109.988 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.424 HG11 ' HG ' ' A' ' 32' ' ' LEU . 31.2 m -131.4 161.93 40.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.551 1.157 . . . . 0.0 109.264 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.481 ' O ' HG21 ' A' ' 12' ' ' ILE . 9.6 mt -108.18 179.05 4.32 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.454 1.096 . . . . 0.0 109.3 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.515 ' O ' ' CB ' ' A' ' 29' ' ' ASP . 27.5 ttmt -85.68 141.12 29.98 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.507 1.129 . . . . 0.0 109.333 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . 0.515 ' CB ' ' O ' ' A' ' 28' ' ' LYS . 3.8 m-20 83.48 -6.95 1.15 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.519 1.137 . . . . 0.0 109.307 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . 0.451 ' OE2' ' CB ' ' A' ' 27' ' ' LEU . 0.2 OUTLIER -69.06 167.31 16.25 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.504 1.127 . . . . 0.0 110.281 -179.97 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 55.4 t -134.88 113.14 15.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.519 1.137 . . . . 0.0 109.285 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.495 HD23 ' CG1' ' A' ' 12' ' ' ILE . 3.0 mm? -108.14 171.24 7.52 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.487 1.117 . . . . 0.0 109.285 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 4.7 tt0 -107.08 132.66 52.74 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.517 1.136 . . . . 0.0 110.302 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 8.6 p -91.31 130.9 39.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.497 1.123 . . . . 0.0 109.317 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.644 HD11 ' HB2' ' A' ' 45' ' ' ARG . 0.1 OUTLIER -116.17 -45.19 2.85 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.511 1.132 . . . . 0.0 109.278 -179.995 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 5.7 mt-10 -122.47 123.85 42.25 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.49 1.119 . . . . 0.0 110.299 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 1.1 p-10 -129.36 177.88 6.86 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.481 1.113 . . . . 0.0 109.303 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 83.21 15.66 71.37 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.44 1.088 . . . . 0.0 110.992 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -127.12 159.59 33.77 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.464 0.744 . . . . 0.0 110.28 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 31.0 mt-30 -40.93 -63.15 0.7 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.501 1.125 . . . . 0.0 110.312 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 9.8 m95 -106.51 133.18 51.59 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 107.982 -1.118 . . . . 0.0 107.982 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' TRP . . . . . 0.759 ' CE3' HD13 ' A' ' 59' ' ' LEU . 46.3 m0 -80.9 148.79 29.72 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.475 1.109 . . . . 0.0 108.013 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 23.7 tttt -104.61 99.74 9.41 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.534 1.146 . . . . 0.0 109.33 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.771 HD22 ' N ' ' A' ' 44' ' ' LEU . 0.4 OUTLIER -96.27 167.09 11.4 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.469 1.106 . . . . 0.0 109.33 179.989 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . 0.644 ' HB2' HD11 ' A' ' 35' ' ' LEU . 28.9 ttm180 -146.81 121.35 9.73 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.464 1.102 . . . . 0.0 110.258 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 5.8 t -75.23 169.64 17.63 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.531 1.145 . . . . 0.0 110.0 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.75 -12.49 61.52 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.482 1.114 . . . . 0.0 110.3 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 3.8 m -73.62 -23.55 59.91 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.51 1.132 . . . . 0.0 110.007 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 107.0 1.38 36.12 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.5 1.125 . . . . 0.0 111.034 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . 0.402 ' O ' ' HA ' ' A' ' 45' ' ' ARG . 12.8 mt-30 -81.15 145.09 31.2 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.517 0.775 . . . . 0.0 110.313 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . 0.425 ' CA ' HD13 ' A' ' 24' ' ' LEU . . . -138.08 130.12 28.65 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.54 1.15 . . . . 0.0 109.273 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . 0.526 ' N ' HD13 ' A' ' 24' ' ' LEU . . . -150.38 172.35 30.18 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.526 1.141 . . . . 0.0 110.989 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 35.3 m-85 -103.13 132.55 49.31 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.489 0.758 . . . . 0.0 111.002 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.755 ' CG2' HD23 ' A' ' 44' ' ' LEU . 0.0 OUTLIER -133.54 162.69 56.12 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.509 1.131 . . . . 0.0 109.329 179.967 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 144.07 29.92 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.558 1.82 . . . . 0.0 110.983 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' CYS . . . . . 0.543 ' HA ' HD12 ' A' ' 59' ' ' LEU . 44.6 t -82.59 -0.1 45.36 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.536 1.148 . . . . 0.0 108.329 179.946 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 9.0 m-20 -72.24 -17.51 61.9 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 0.0 109.284 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 18.5 pt -111.94 -12.83 11.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.508 1.13 . . . . 0.0 109.331 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.759 HD13 ' CE3' ' A' ' 42' ' ' TRP . 88.2 mt -73.85 151.47 40.49 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.478 1.111 . . . . 0.0 109.299 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . 0.535 ' O ' HG23 ' A' ' 10' ' ' VAL . . . . . . . . 0 CA--C 1.529 0.966 0 O-C-N 124.508 1.13 . . . . 0.0 110.981 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.452 -0.331 0 N-CA-C 109.32 -0.622 . . . . 0.0 109.32 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 47.8 m-85 -145.81 176.52 9.6 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.485 1.116 . . . . 0.0 110.993 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . 0.63 HG21 ' HB3' ' A' ' 59' ' ' LEU . 7.7 p -135.76 141.75 41.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.434 1.084 . . . . 0.0 109.315 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . 0.504 ' CE ' ' HA ' ' A' ' 29' ' ' ASP . 13.4 tptm -101.29 114.92 29.35 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.488 1.118 . . . . 0.0 109.291 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 9.5 mm -64.9 139.89 20.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.536 1.148 . . . . 0.0 109.277 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 53.4 mt -108.24 -20.93 12.98 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.538 1.148 . . . . 0.0 109.267 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 72.0 m-85 -140.42 137.92 34.35 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.469 1.106 . . . . 0.0 111.022 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -71.26 114.36 9.24 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.53 1.144 . . . . 0.0 109.326 -179.953 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . 0.6 ' CE2' HG12 ' A' ' 54' ' ' VAL . 74.4 t80 -105.72 145.48 31.04 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.537 1.148 . . . . 0.0 110.963 -179.945 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 47.8 m -118.13 99.19 6.72 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.491 1.12 . . . . 0.0 110.419 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.461 0 O-C-N 124.531 1.144 . . . . 0.0 109.289 -179.987 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 56.4 mt-10 . . . . . 0 N--CA 1.453 -0.296 0 N-CA-C 110.325 -0.25 . . . . 0.0 110.325 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.446 ' HB2' ' CA ' ' A' ' 52' ' ' GLY . 6.9 tp -117.25 143.78 45.53 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.494 1.121 . . . . 0.0 109.276 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 12.8 p -98.48 122.2 41.37 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.458 1.099 . . . . 0.0 110.006 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.548 HG11 ' HG ' ' A' ' 32' ' ' LEU . 29.4 m -133.87 148.53 30.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.444 1.09 . . . . 0.0 109.314 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 5.2 mp -93.13 179.07 5.54 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.478 1.111 . . . . 0.0 109.307 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.449 ' O ' ' CB ' ' A' ' 29' ' ' ASP . 0.0 OUTLIER -83.95 137.54 33.58 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.489 1.118 . . . . 0.0 109.29 179.989 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . 0.504 ' HA ' ' CE ' ' A' ' 11' ' ' LYS . 0.5 OUTLIER 77.86 18.13 1.25 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.488 1.117 . . . . 0.0 109.317 -179.973 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -97.19 163.44 12.91 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.531 1.144 . . . . 0.0 110.311 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.603 ' C ' HD22 ' A' ' 32' ' ' LEU . 73.3 t -132.77 126.56 54.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.475 1.109 . . . . 0.0 109.314 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.603 HD22 ' C ' ' A' ' 31' ' ' VAL . 2.4 mm? -115.67 178.49 4.29 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.494 1.121 . . . . 0.0 109.308 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -101.41 111.98 24.37 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.507 1.129 . . . . 0.0 110.302 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 7.5 p -76.01 126.53 36.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.514 1.134 . . . . 0.0 109.298 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.646 HD11 ' HB2' ' A' ' 45' ' ' ARG . 0.5 OUTLIER -113.42 -39.83 4.01 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.527 1.142 . . . . 0.0 109.278 -179.978 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 11.4 mm-40 -129.59 124.92 34.97 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.539 1.15 . . . . 0.0 110.334 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 4.7 p-10 -136.22 173.62 11.51 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.463 1.102 . . . . 0.0 109.271 -179.944 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 90.09 -11.29 71.29 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.5 1.125 . . . . 0.0 111.054 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . 0.412 ' O ' ' C ' ' A' ' 40' ' ' GLN . 0.1 OUTLIER -103.91 166.16 10.59 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.476 0.751 . . . . 0.0 110.255 -179.979 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . 0.412 ' C ' ' O ' ' A' ' 39' ' ' ARG . 0.0 OUTLIER -38.24 -72.55 0.06 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.507 1.13 . . . . 0.0 110.287 -179.993 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' TRP . . . . . 0.579 ' CZ3' ' HD3' ' A' ' 55' ' ' PRO . 11.7 m0 -102.92 136.83 42.01 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 107.995 -1.113 . . . . 0.0 107.995 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' TRP . . . . . 0.753 ' CE3' HD13 ' A' ' 59' ' ' LEU . 38.7 m0 -84.05 162.46 20.34 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.514 1.134 . . . . 0.0 108.065 179.943 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . 0.573 ' HB2' ' CE1' ' A' ' 53' ' ' TYR . 22.0 tttt -118.04 99.97 7.24 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.476 1.11 . . . . 0.0 109.275 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.765 HD23 ' CG2' ' A' ' 54' ' ' VAL . 0.2 OUTLIER -96.93 166.61 11.53 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.488 1.117 . . . . 0.0 109.299 179.994 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . 0.646 ' HB2' HD11 ' A' ' 35' ' ' LEU . 45.3 ttp85 -134.07 120.03 19.68 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.499 1.124 . . . . 0.0 110.352 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . 0.55 ' HA ' HD12 ' A' ' 32' ' ' LEU . 4.2 p -67.88 164.19 20.3 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.491 1.119 . . . . 0.0 110.008 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.3 -16.44 63.56 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.481 1.113 . . . . 0.0 110.336 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 1.1 t -73.15 -20.84 60.83 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.489 1.118 . . . . 0.0 109.994 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 106.15 14.39 20.72 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.473 1.108 . . . . 0.0 110.996 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 12.0 mm100 -99.59 138.01 37.28 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.446 0.733 . . . . 0.0 110.316 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -122.54 130.33 52.91 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.525 1.141 . . . . 0.0 109.275 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . 0.446 ' CA ' ' HB2' ' A' ' 24' ' ' LEU . . . -150.12 163.12 29.4 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.524 1.14 . . . . 0.0 111.033 179.946 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' TYR . . . . . 0.573 ' CE1' ' HB2' ' A' ' 43' ' ' LYS . 56.8 m-85 -93.51 151.26 19.83 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.555 0.797 . . . . 0.0 111.025 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.765 ' CG2' HD23 ' A' ' 44' ' ' LEU . 0.0 OUTLIER -151.44 164.08 21.45 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.533 1.146 . . . . 0.0 109.25 -179.968 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' PRO . . . . . 0.579 ' HD3' ' CZ3' ' A' ' 41' ' ' TRP . 18.4 Cg_endo -74.99 146.95 33.32 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.463 1.77 . . . . 0.0 111.031 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 30.8 p -84.76 2.17 43.3 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.519 1.137 . . . . 0.0 108.288 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 51.6 t30 -73.79 -19.02 60.89 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.501 1.126 . . . . 0.0 109.306 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 10.3 pt -109.11 -17.22 8.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.49 1.119 . . . . 0.0 109.349 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.753 HD13 ' CE3' ' A' ' 42' ' ' TRP . 92.2 mt -72.03 156.27 39.41 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.525 1.14 . . . . 0.0 109.323 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . 0.493 ' O ' HG23 ' A' ' 10' ' ' VAL . . . . . . . . 0 CA--C 1.53 1.022 0 O-C-N 124.545 1.153 . . . . 0.0 110.986 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . 0.515 ' HD3' HG11 ' A' ' 34' ' ' VAL . 3.4 tttt . . . . . 0 N--CA 1.454 -0.266 0 N-CA-C 109.304 -0.628 . . . . 0.0 109.304 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' TYR . . . . . 0.506 ' CE1' ' HG2' ' A' ' 33' ' ' GLU . 72.3 m-85 -141.74 157.81 44.58 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.559 1.162 . . . . 0.0 111.017 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . 0.614 HG21 ' HB3' ' A' ' 59' ' ' LEU . 8.9 p -121.8 140.33 46.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.482 1.114 . . . . 0.0 109.256 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . 0.41 ' CE ' ' HA ' ' A' ' 29' ' ' ASP . 4.2 tttt -105.17 104.2 13.89 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.496 1.122 . . . . 0.0 109.31 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.447 HG21 ' O ' ' A' ' 27' ' ' LEU . 39.7 mm -44.36 143.99 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.52 1.137 . . . . 0.0 109.309 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 77.3 mt -108.89 -38.68 5.53 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.49 1.119 . . . . 0.0 109.306 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 82.2 m-85 -128.33 138.22 52.28 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.484 1.115 . . . . 0.0 111.013 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -62.32 108.46 1.1 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.495 1.122 . . . . 0.0 109.329 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . 0.648 ' CE2' HG12 ' A' ' 54' ' ' VAL . 63.7 t80 -108.69 136.32 48.47 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.47 1.106 . . . . 0.0 110.975 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 20.0 m -112.72 127.7 56.21 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.471 1.107 . . . . 0.0 110.413 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.515 0 O-C-N 124.527 1.142 . . . . 0.0 109.302 -179.996 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 50.7 mt-10 . . . . . 0 N--CA 1.453 -0.311 0 N-CA-C 110.288 -0.264 . . . . 0.0 110.288 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.548 HD13 ' N ' ' A' ' 52' ' ' GLY . 12.9 tp -109.87 151.01 27.57 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.479 1.112 . . . . 0.0 109.345 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 3.0 p -105.68 114.89 29.32 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.515 1.135 . . . . 0.0 109.993 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 34.5 m -128.8 176.6 7.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.466 1.104 . . . . 0.0 109.275 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.447 ' O ' HG21 ' A' ' 12' ' ' ILE . 9.7 mt -127.52 179.39 5.52 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.498 1.124 . . . . 0.0 109.29 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.422 ' HG2' ' N ' ' A' ' 29' ' ' ASP . 1.7 ttmt -82.02 143.12 31.78 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.524 1.14 . . . . 0.0 109.291 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . 0.422 ' N ' ' HG2' ' A' ' 28' ' ' LYS . 0.1 OUTLIER 71.0 27.39 3.37 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.535 1.147 . . . . 0.0 109.335 -179.968 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 10.8 mt-10 -107.75 161.94 14.44 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.502 1.126 . . . . 0.0 110.319 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 99.1 t -134.05 118.04 27.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.549 1.156 . . . . 0.0 109.269 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.481 HD12 ' HA ' ' A' ' 46' ' ' SER . 2.9 mm? -108.85 171.36 7.47 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.505 1.128 . . . . 0.0 109.326 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . 0.578 ' OE1' HD23 ' A' ' 35' ' ' LEU . 0.3 OUTLIER -93.3 114.24 26.64 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.48 1.112 . . . . 0.0 110.284 -179.986 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.515 HG11 ' HD3' ' A' ' 8' ' ' LYS . 14.4 p -82.76 118.94 31.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.497 1.123 . . . . 0.0 109.322 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.578 HD23 ' OE1' ' A' ' 33' ' ' GLU . 0.7 OUTLIER -104.65 -48.15 3.87 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.47 1.106 . . . . 0.0 109.334 179.954 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -110.37 135.2 51.46 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.517 1.136 . . . . 0.0 110.308 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 1.9 p-10 -146.07 176.44 9.72 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.456 1.098 . . . . 0.0 109.312 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 68.16 17.7 70.3 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.518 1.137 . . . . 0.0 110.991 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . 0.403 ' O ' ' C ' ' A' ' 40' ' ' GLN . 0.0 OUTLIER -128.02 166.04 19.16 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.478 0.752 . . . . 0.0 110.299 -179.946 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . 0.403 ' C ' ' O ' ' A' ' 39' ' ' ARG . 12.1 mt-30 -38.2 -74.99 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.509 1.131 . . . . 0.0 110.253 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' TRP . . . . . 0.524 ' CZ3' ' HD3' ' A' ' 55' ' ' PRO . 11.1 m95 -105.66 138.27 42.14 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.495 1.122 . . . . 0.0 107.998 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' TRP . . . . . 0.676 ' CE3' HD13 ' A' ' 59' ' ' LEU . 42.3 m0 -84.01 161.0 20.89 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 107.991 -1.114 . . . . 0.0 107.991 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . 0.571 ' HB2' ' CE1' ' A' ' 53' ' ' TYR . 12.3 tttp -119.73 99.69 6.8 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.513 1.133 . . . . 0.0 109.278 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.793 HD23 ' CG2' ' A' ' 54' ' ' VAL . 0.5 OUTLIER -93.9 166.9 11.95 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.544 1.153 . . . . 0.0 109.285 179.992 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 12.0 ttp85 -143.06 126.14 16.37 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.469 1.106 . . . . 0.0 110.263 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . 0.481 ' HA ' HD12 ' A' ' 32' ' ' LEU . 0.2 OUTLIER -84.74 166.87 16.64 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.534 1.147 . . . . 0.0 109.999 179.993 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.9 -12.75 60.43 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.516 1.135 . . . . 0.0 110.248 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -74.89 -2.19 25.78 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.521 1.138 . . . . 0.0 110.041 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 85.4 -0.32 88.48 Favored Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.482 1.114 . . . . 0.0 110.992 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 1.4 mt-30 -88.71 148.9 23.75 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.53 0.782 . . . . 0.0 110.268 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . 0.438 ' C ' HD13 ' A' ' 24' ' ' LEU . . . -145.74 130.22 17.82 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.494 1.121 . . . . 0.0 109.331 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . 0.548 ' N ' HD13 ' A' ' 24' ' ' LEU . . . -141.92 170.56 24.84 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.49 1.119 . . . . 0.0 111.001 -179.946 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' TYR . . . . . 0.571 ' CE1' ' HB2' ' A' ' 43' ' ' LYS . 39.7 m-85 -96.07 145.67 25.28 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.502 0.766 . . . . 0.0 111.023 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.793 ' CG2' HD23 ' A' ' 44' ' ' LEU . 0.0 OUTLIER -149.73 164.75 19.59 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.505 1.128 . . . . 0.0 109.325 179.965 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' PRO . . . . . 0.524 ' HD3' ' CZ3' ' A' ' 41' ' ' TRP . 18.3 Cg_endo -75.03 143.71 29.26 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.479 1.779 . . . . 0.0 111.012 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' CYS . . . . . 0.518 ' HA ' HD12 ' A' ' 59' ' ' LEU . 30.5 p -80.15 -2.0 42.74 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.536 1.147 . . . . 0.0 108.315 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 2.0 t-20 -68.25 -33.67 74.81 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.499 1.124 . . . . 0.0 109.329 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . 0.456 HD12 ' HB2' ' A' ' 16' ' ' PHE . 8.4 pt -93.1 -21.54 6.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.535 1.147 . . . . 0.0 109.322 179.931 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.676 HD13 ' CE3' ' A' ' 42' ' ' TRP . 67.4 mt -73.69 159.53 32.88 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.477 1.111 . . . . 0.0 109.335 179.952 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.023 0 O-C-N 124.523 1.14 . . . . 0.0 111.011 179.994 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . 0.549 ' O ' HG12 ' A' ' 34' ' ' VAL . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.293 0 N-CA-C 109.329 -0.619 . . . . 0.0 109.329 . . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' TYR . . . . . 0.549 ' CE2' ' HG2' ' A' ' 33' ' ' GLU . 73.4 m-85 -137.37 175.51 9.54 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.488 1.118 . . . . 0.0 111.006 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . 0.61 HG21 ' HB3' ' A' ' 59' ' ' LEU . 3.5 p -140.84 131.26 27.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.481 1.113 . . . . 0.0 109.308 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . 0.471 ' CE ' ' HA ' ' A' ' 29' ' ' ASP . 0.0 OUTLIER -96.7 106.28 18.53 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.462 1.102 . . . . 0.0 109.327 -179.995 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.488 HD13 HD23 ' A' ' 59' ' ' LEU . 50.2 mm -49.39 141.1 2.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.561 1.163 . . . . 0.0 109.273 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 34.3 mt -105.05 -35.64 7.57 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.487 1.117 . . . . 0.0 109.274 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 97.2 m-85 -126.6 142.03 51.67 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.532 1.145 . . . . 0.0 110.986 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . 0.476 ' HB3' HD12 ' A' ' 27' ' ' LEU . 1.4 p30 -71.56 120.53 17.28 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.483 1.114 . . . . 0.0 109.264 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 53.9 t80 -120.66 147.37 45.34 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.515 1.134 . . . . 0.0 110.928 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 97.7 m -112.58 132.74 54.98 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.519 1.137 . . . . 0.0 110.393 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 0.416 ' HB2' ' N ' ' A' ' 25' ' ' SER . . . . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.5 1.125 . . . . 0.0 109.294 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 . . . . . 0 N--CA 1.453 -0.285 0 N-CA-C 110.303 -0.258 . . . . 0.0 110.303 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.481 ' HB2' ' CA ' ' A' ' 52' ' ' GLY . 5.0 tp -114.19 131.26 56.52 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.494 1.121 . . . . 0.0 109.277 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . 0.416 ' N ' ' HB2' ' A' ' 18' ' ' ALA . 4.0 p -81.36 117.03 21.49 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.465 1.103 . . . . 0.0 109.962 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 18.4 m -124.27 176.86 5.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.467 1.104 . . . . 0.0 109.294 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.476 HD12 ' HB3' ' A' ' 15' ' ' ASP . 61.6 tp -132.12 168.76 17.42 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.517 1.135 . . . . 0.0 109.294 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.475 ' O ' ' CB ' ' A' ' 29' ' ' ASP . 0.0 OUTLIER -79.11 133.13 36.77 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.533 1.145 . . . . 0.0 109.246 -179.965 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . 0.475 ' CB ' ' O ' ' A' ' 28' ' ' LYS . 4.1 t70 80.34 28.96 0.25 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.484 1.115 . . . . 0.0 109.283 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 6.6 mt-10 -109.4 167.38 10.16 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.488 1.118 . . . . 0.0 110.305 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 45.9 t -133.28 113.41 19.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.527 1.142 . . . . 0.0 109.282 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.453 HD23 ' CG1' ' A' ' 12' ' ' ILE . 3.2 mm? -105.82 170.69 7.75 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.532 1.145 . . . . 0.0 109.321 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . 0.549 ' HG2' ' CE2' ' A' ' 9' ' ' TYR . 0.9 OUTLIER -99.47 124.42 44.62 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.466 1.104 . . . . 0.0 110.275 -179.977 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.549 HG12 ' O ' ' A' ' 8' ' ' LYS . 8.9 p -90.7 123.07 42.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.522 1.139 . . . . 0.0 109.337 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.423 HD11 ' HB2' ' A' ' 45' ' ' ARG . 0.5 OUTLIER -112.49 -40.42 4.1 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.462 1.101 . . . . 0.0 109.273 -179.953 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -126.17 127.8 46.28 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.544 1.153 . . . . 0.0 110.316 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 3.1 p-10 -142.73 -179.64 6.45 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.515 1.134 . . . . 0.0 109.283 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 97.46 -6.42 63.16 Favored Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.505 1.128 . . . . 0.0 111.012 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 3.9 ttt85 -116.51 164.53 14.44 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.555 0.797 . . . . 0.0 110.333 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 27.7 mt-30 -41.45 -68.3 0.19 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.489 1.118 . . . . 0.0 110.287 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' TRP . . . . . 0.455 ' CE3' ' C ' ' A' ' 54' ' ' VAL . 13.2 m95 -97.13 131.25 44.07 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.523 1.14 . . . . 0.0 107.986 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' TRP . . . . . 0.608 ' CE3' HD13 ' A' ' 59' ' ' LEU . 38.2 m0 -90.13 159.66 16.67 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.506 1.129 . . . . 0.0 107.979 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . 0.402 ' HB2' ' CE1' ' A' ' 53' ' ' TYR . 14.8 tttt -109.66 99.85 8.97 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.509 1.131 . . . . 0.0 109.269 -179.939 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.753 HD22 ' N ' ' A' ' 44' ' ' LEU . 0.5 OUTLIER -96.82 167.14 11.28 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.493 1.12 . . . . 0.0 109.345 179.972 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . 0.423 ' HB2' HD11 ' A' ' 35' ' ' LEU . 24.3 ttp180 -136.85 129.46 30.32 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.494 1.121 . . . . 0.0 110.338 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 27.6 p -77.57 165.82 23.82 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.555 1.159 . . . . 0.0 110.031 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 4.7 mmm180 -68.95 -11.68 60.92 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.514 1.134 . . . . 0.0 110.239 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -78.23 -16.48 57.79 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.488 1.117 . . . . 0.0 109.961 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 102.69 5.97 47.34 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.483 1.114 . . . . 0.0 110.995 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 30.4 mm-40 -88.1 141.79 28.29 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.516 0.774 . . . . 0.0 110.309 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -127.79 129.14 46.52 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.453 1.096 . . . . 0.0 109.336 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . 0.481 ' CA ' ' HB2' ' A' ' 24' ' ' LEU . . . -150.25 168.09 30.2 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.435 1.084 . . . . 0.0 110.989 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' TYR . . . . . 0.402 ' CE1' ' HB2' ' A' ' 43' ' ' LYS . 59.8 m-85 -96.2 153.35 17.85 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.521 0.777 . . . . 0.0 111.011 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.7 ' CG2' HD23 ' A' ' 44' ' ' LEU . 0.0 OUTLIER -152.97 167.02 14.2 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.468 1.105 . . . . 0.0 109.269 -179.995 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' PRO . . . . . 0.405 ' HB2' ' ND2' ' A' ' 57' ' ' ASN . 18.3 Cg_endo -75.01 150.98 38.89 Favored 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.48 1.779 . . . . 0.0 111.002 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 30.9 p -92.34 -15.48 27.27 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.459 1.1 . . . . 0.0 108.299 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . 0.771 ' OD1' HG23 ' A' ' 58' ' ' ILE . 4.0 p30 -65.14 -12.14 47.8 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.53 1.144 . . . . 0.0 109.3 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . 0.771 HG23 ' OD1' ' A' ' 57' ' ' ASN . 29.1 pt -108.75 -28.79 2.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.48 1.113 . . . . 0.0 109.329 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.61 ' HB3' HG21 ' A' ' 10' ' ' VAL . 85.3 mt -64.3 171.12 3.27 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.49 1.119 . . . . 0.0 109.293 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . 0.417 ' H ' HG22 ' A' ' 10' ' ' VAL . . . . . . . . 0 CA--C 1.53 0.972 0 O-C-N 124.459 1.099 . . . . 0.0 111.014 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.281 0 N-CA-C 109.314 -0.624 . . . . 0.0 109.314 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 74.6 m-85 -139.12 164.15 30.54 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.499 1.124 . . . . 0.0 110.952 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 8.5 p -128.7 137.43 57.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.46 1.1 . . . . 0.0 109.327 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 4.0 tttt -98.41 111.02 23.51 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.424 1.078 . . . . 0.0 109.309 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 43.5 mm -60.46 133.39 26.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.451 1.094 . . . . 0.0 109.303 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.535 ' HB2' ' CD1' ' A' ' 14' ' ' TYR . 71.3 mt -97.11 -34.25 11.22 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.123 . . . . 0.0 109.303 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . 0.535 ' CD1' ' HB2' ' A' ' 13' ' ' LEU . 10.2 m-85 -131.26 133.23 45.23 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.495 1.122 . . . . 0.0 110.981 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 1.2 p30 -63.85 113.73 3.61 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.496 1.123 . . . . 0.0 109.329 179.936 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . 0.5 ' CE2' HG12 ' A' ' 54' ' ' VAL . 87.1 t80 -104.09 146.71 28.34 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.513 1.133 . . . . 0.0 110.995 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 5.7 m -118.35 110.22 17.22 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.52 1.138 . . . . 0.0 110.385 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.51 0 O-C-N 124.506 1.129 . . . . 0.0 109.312 -179.999 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 41.5 mt-10 . . . . . 0 N--CA 1.453 -0.301 0 N-CA-C 110.323 -0.251 . . . . 0.0 110.323 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.475 ' HB2' ' CA ' ' A' ' 52' ' ' GLY . 4.8 tp -108.87 145.53 35.18 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.481 1.113 . . . . 0.0 109.362 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 7.2 p -98.89 119.97 38.56 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.5 1.125 . . . . 0.0 110.0 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.562 ' C ' HD22 ' A' ' 27' ' ' LEU . 26.6 m -133.39 156.27 41.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.534 1.146 . . . . 0.0 109.318 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.562 HD22 ' C ' ' A' ' 26' ' ' VAL . 1.2 mm? -105.87 179.14 4.36 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.545 1.153 . . . . 0.0 109.281 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.402 ' HG2' ' N ' ' A' ' 29' ' ' ASP . 7.2 ttmt -81.4 142.84 32.61 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.529 1.143 . . . . 0.0 109.31 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . 0.402 ' N ' ' HG2' ' A' ' 28' ' ' LYS . 16.9 t0 72.01 28.47 2.54 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.494 1.121 . . . . 0.0 109.33 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 17.3 mt-10 -107.84 162.03 14.37 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.531 1.144 . . . . 0.0 110.305 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.429 ' C ' HD22 ' A' ' 32' ' ' LEU . 73.5 t -133.95 119.91 33.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.496 1.122 . . . . 0.0 109.262 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.572 HD12 ' HA ' ' A' ' 46' ' ' SER . 2.4 mm? -108.8 178.39 4.49 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.472 1.107 . . . . 0.0 109.295 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . 0.41 ' HG2' HD23 ' A' ' 35' ' ' LEU . 4.7 tt0 -104.4 104.11 13.92 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.513 1.133 . . . . 0.0 110.294 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.426 HG13 ' O ' ' A' ' 34' ' ' VAL . 14.6 p -68.1 117.31 9.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.451 1.094 . . . . 0.0 109.295 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.676 HD11 ' HB2' ' A' ' 45' ' ' ARG . 1.2 mt -98.25 -47.97 5.25 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.524 1.14 . . . . 0.0 109.322 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 7.7 mm-40 -128.04 124.28 36.72 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.542 1.151 . . . . 0.0 110.256 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -135.51 -177.91 4.88 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.527 1.142 . . . . 0.0 109.313 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 90.85 -10.02 76.08 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.497 1.123 . . . . 0.0 111.059 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 4.6 ttt85 -109.35 165.42 11.64 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.465 0.744 . . . . 0.0 110.273 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 25.7 mt-30 -38.92 -63.78 0.5 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.52 1.138 . . . . 0.0 110.279 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' TRP . . . . . 0.427 ' CE3' ' C ' ' A' ' 54' ' ' VAL . 13.1 m95 -105.47 132.67 51.36 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.52 1.137 . . . . 0.0 108.048 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' TRP . . . . . 0.813 ' CE3' HD13 ' A' ' 59' ' ' LEU . 43.9 m0 -87.51 163.57 16.6 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.575 1.172 . . . . 0.0 108.024 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . 0.538 ' HB2' ' CE1' ' A' ' 53' ' ' TYR . 56.4 tttt -115.48 99.84 7.65 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.501 1.126 . . . . 0.0 109.267 -179.946 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.809 HD23 ' CG2' ' A' ' 54' ' ' VAL . 0.1 OUTLIER -102.06 164.09 11.89 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.546 1.154 . . . . 0.0 109.24 -179.98 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . 0.676 ' HB2' HD11 ' A' ' 35' ' ' LEU . 23.0 ttp180 -131.57 135.58 47.12 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.515 1.134 . . . . 0.0 110.316 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . 0.572 ' HA ' HD12 ' A' ' 32' ' ' LEU . 96.3 p -85.01 165.39 17.59 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.49 1.119 . . . . 0.0 110.016 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.89 -15.78 63.59 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.491 1.12 . . . . 0.0 110.293 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -75.95 -1.59 26.33 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.51 1.131 . . . . 0.0 109.983 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 82.7 29.79 34.42 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.555 1.16 . . . . 0.0 110.958 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . 0.466 ' O ' ' CG ' ' A' ' 45' ' ' ARG . 14.1 mm100 -112.97 153.69 27.64 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.502 0.766 . . . . 0.0 110.334 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . 0.437 ' CA ' HD13 ' A' ' 24' ' ' LEU . . . -137.37 129.47 29.24 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.524 1.14 . . . . 0.0 109.294 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . 0.475 ' CA ' ' HB2' ' A' ' 24' ' ' LEU . . . -150.24 153.69 25.21 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.509 1.131 . . . . 0.0 110.996 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' TYR . . . . . 0.538 ' CE1' ' HB2' ' A' ' 43' ' ' LYS . 41.6 m-85 -85.79 144.14 27.91 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.484 0.755 . . . . 0.0 110.974 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.809 ' CG2' HD23 ' A' ' 44' ' ' LEU . 0.0 OUTLIER -143.9 165.89 22.09 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.478 1.111 . . . . 0.0 109.311 179.971 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 144.59 30.43 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.527 1.804 . . . . 0.0 111.058 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 26.9 p -83.27 0.48 45.44 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.533 1.146 . . . . 0.0 108.327 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -71.76 -29.14 64.17 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.479 1.112 . . . . 0.0 109.309 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . 0.44 HD12 ' HB2' ' A' ' 16' ' ' PHE . 9.0 pt -97.44 -21.73 5.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.446 1.092 . . . . 0.0 109.302 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.813 HD13 ' CE3' ' A' ' 42' ' ' TRP . 86.1 mt -65.33 164.25 13.95 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.477 1.111 . . . . 0.0 109.317 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.038 0 O-C-N 124.517 1.136 . . . . 0.0 110.959 179.989 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.3 0 N-CA-C 109.294 -0.632 . . . . 0.0 109.294 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 66.1 m-85 -144.4 161.73 38.27 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.497 1.123 . . . . 0.0 110.987 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . 0.519 HG21 ' HB3' ' A' ' 59' ' ' LEU . 14.5 p -133.81 147.53 30.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.515 1.134 . . . . 0.0 109.308 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . 0.455 ' CE ' ' HA ' ' A' ' 29' ' ' ASP . 14.1 tttt -107.23 127.38 53.48 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.532 1.145 . . . . 0.0 109.309 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.605 HD11 HD23 ' A' ' 32' ' ' LEU . 22.9 mm -72.67 127.34 34.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.541 1.151 . . . . 0.0 109.273 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 70.5 mt -94.61 -21.8 18.58 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.525 1.141 . . . . 0.0 109.283 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . 0.459 ' O ' ' CG2' ' A' ' 12' ' ' ILE . 97.3 m-85 -142.44 143.55 32.67 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.47 1.107 . . . . 0.0 111.006 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -72.62 110.94 7.35 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.487 1.117 . . . . 0.0 109.268 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . 0.649 ' CD2' HG12 ' A' ' 54' ' ' VAL . 68.0 t80 -109.6 141.31 42.3 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.49 1.119 . . . . 0.0 111.044 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 3.9 m -120.43 118.92 31.55 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.556 1.16 . . . . 0.0 110.406 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.51 0 O-C-N 124.499 1.124 . . . . 0.0 109.285 179.986 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 41.7 mt-10 . . . . . 0 N--CA 1.454 -0.252 0 N-CA-C 110.256 -0.275 . . . . 0.0 110.256 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.431 HD13 ' N ' ' A' ' 52' ' ' GLY . 7.2 tp -122.58 142.94 50.09 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.494 1.121 . . . . 0.0 109.263 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 2.3 p -99.59 115.06 28.52 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.513 1.133 . . . . 0.0 110.023 179.936 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 33.7 m -134.68 158.56 41.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.524 1.14 . . . . 0.0 109.324 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.51 ' O ' HG21 ' A' ' 12' ' ' ILE . 3.2 mm? -101.34 178.96 4.5 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.496 1.122 . . . . 0.0 109.295 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.535 ' O ' ' CB ' ' A' ' 29' ' ' ASP . 0.0 OUTLIER -87.29 141.47 28.62 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.523 1.139 . . . . 0.0 109.272 -179.973 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . 0.535 ' CB ' ' O ' ' A' ' 28' ' ' LYS . 17.6 t0 84.8 -9.47 0.87 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.499 1.124 . . . . 0.0 109.315 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . 0.463 ' OE2' ' CB ' ' A' ' 27' ' ' LEU . 0.2 OUTLIER -68.77 167.53 15.24 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.5 1.125 . . . . 0.0 110.286 -179.962 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.523 ' C ' HD22 ' A' ' 32' ' ' LEU . 54.4 t -134.47 121.72 37.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.485 1.116 . . . . 0.0 109.294 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.605 HD23 HD11 ' A' ' 12' ' ' ILE . 2.8 mm? -113.24 176.36 5.06 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.466 1.104 . . . . 0.0 109.282 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . 0.438 ' HG2' ' CD2' ' A' ' 35' ' ' LEU . 8.3 tt0 -108.01 118.82 37.75 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.48 1.113 . . . . 0.0 110.288 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 8.8 p -80.17 132.2 32.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.531 1.144 . . . . 0.0 109.293 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.5 HD11 ' HB2' ' A' ' 45' ' ' ARG . 0.6 OUTLIER -117.0 -51.12 2.57 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.562 1.164 . . . . 0.0 109.266 -179.955 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 7.0 mm-40 -116.69 124.15 48.99 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.506 1.129 . . . . 0.0 110.301 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 1.1 p-10 -133.63 173.62 11.31 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.473 1.108 . . . . 0.0 109.312 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 99.42 -13.98 61.1 Favored Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.431 1.082 . . . . 0.0 110.998 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -107.4 165.15 11.6 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.462 0.743 . . . . 0.0 110.254 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -45.47 -67.79 0.25 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.465 1.103 . . . . 0.0 110.35 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' TRP . . . . . 0.441 ' CE3' ' C ' ' A' ' 54' ' ' VAL . 19.0 m95 -93.08 133.67 36.0 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.518 1.136 . . . . 0.0 108.014 179.943 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' TRP . . . . . 0.794 ' CE3' HD13 ' A' ' 59' ' ' LEU . 47.0 m0 -90.08 162.91 15.09 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.502 1.126 . . . . 0.0 107.969 -179.952 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 10.4 tttp -115.0 99.75 7.68 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.532 1.145 . . . . 0.0 109.277 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.812 HD23 ' CG2' ' A' ' 54' ' ' VAL . 0.1 OUTLIER -102.54 160.85 14.2 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.534 1.147 . . . . 0.0 109.293 179.969 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . 0.5 ' HB2' HD11 ' A' ' 35' ' ' LEU . 15.1 ttp180 -132.71 122.67 24.94 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.497 1.123 . . . . 0.0 110.283 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . 0.517 ' HA ' HD12 ' A' ' 32' ' ' LEU . 1.5 t -67.91 163.31 22.31 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.476 1.11 . . . . 0.0 110.024 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.32 -22.89 63.74 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.465 1.103 . . . . 0.0 110.276 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -68.03 -20.14 64.97 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.486 1.116 . . . . 0.0 110.029 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 108.26 -11.75 36.82 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.467 1.104 . . . . 0.0 110.981 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . 0.494 ' O ' ' CG ' ' A' ' 45' ' ' ARG . 5.8 mm-40 -64.59 152.61 41.63 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.466 0.744 . . . . 0.0 110.32 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -138.44 130.37 28.21 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.438 1.086 . . . . 0.0 109.271 -179.945 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . 0.431 ' N ' HD13 ' A' ' 24' ' ' LEU . . . -149.96 175.05 29.25 Favored Glycine 0 CA--C 1.531 1.066 0 O-C-N 124.485 1.115 . . . . 0.0 111.005 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 38.2 m-85 -105.86 143.43 34.02 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.527 0.781 . . . . 0.0 111.009 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.812 ' CG2' HD23 ' A' ' 44' ' ' LEU . 0.0 OUTLIER -145.01 165.45 22.15 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.513 1.133 . . . . 0.0 109.277 -179.957 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 146.66 33.13 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.5 1.79 . . . . 0.0 111.015 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' CYS . . . . . 0.449 ' HA ' HD12 ' A' ' 59' ' ' LEU . 30.0 p -83.82 0.59 46.86 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 0.0 108.33 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 23.8 m-20 -74.31 -26.2 60.03 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.477 1.111 . . . . 0.0 109.296 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 19.4 pt -98.82 -25.15 4.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.476 1.11 . . . . 0.0 109.319 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.794 HD13 ' CE3' ' A' ' 42' ' ' TRP . 74.0 mt -68.17 154.29 42.01 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.509 1.13 . . . . 0.0 109.288 -179.95 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.972 0 O-C-N 124.449 1.093 . . . . 0.0 111.045 -179.987 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.453 -0.297 0 N-CA-C 109.283 -0.636 . . . . 0.0 109.283 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 91.5 m-85 -143.66 168.59 19.54 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.427 1.079 . . . . 0.0 111.025 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . 0.762 HG21 ' HB3' ' A' ' 59' ' ' LEU . 4.9 p -134.17 135.58 54.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.495 1.122 . . . . 0.0 109.269 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 12.5 tttt -93.07 121.67 34.65 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.501 1.125 . . . . 0.0 109.279 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.563 HG21 ' O ' ' A' ' 27' ' ' LEU . 34.4 mm -66.38 111.26 1.65 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.5 1.125 . . . . 0.0 109.311 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 87.1 mt -76.6 -28.53 56.18 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.539 1.149 . . . . 0.0 109.3 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . 0.463 ' O ' ' CG2' ' A' ' 12' ' ' ILE . 71.1 m-85 -142.2 145.07 33.73 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.549 1.156 . . . . 0.0 110.964 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . 0.411 ' N ' ' HB2' ' A' ' 28' ' ' LYS . 5.2 p-10 -72.28 125.28 26.95 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.487 1.117 . . . . 0.0 109.264 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . 0.532 ' CE2' HG12 ' A' ' 54' ' ' VAL . 81.6 t80 -125.19 145.0 50.17 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.505 1.128 . . . . 0.0 110.969 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 3.5 m -121.92 114.5 21.08 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.451 1.095 . . . . 0.0 110.424 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.449 1.093 . . . . 0.0 109.265 179.999 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 8.3 mt-10 . . . . . 0 N--CA 1.453 -0.305 0 N-CA-C 110.303 -0.258 . . . . 0.0 110.303 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.486 HD13 ' N ' ' A' ' 52' ' ' GLY . 4.0 tp -123.63 143.49 50.2 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.485 1.116 . . . . 0.0 109.311 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 2.3 p -94.99 114.39 26.19 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.515 1.134 . . . . 0.0 109.968 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.412 HG23 HG21 ' A' ' 12' ' ' ILE . 5.4 m -123.51 172.83 10.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.477 1.111 . . . . 0.0 109.303 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.563 ' O ' HG21 ' A' ' 12' ' ' ILE . 58.9 tp -120.98 168.08 11.89 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.493 1.121 . . . . 0.0 109.292 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.49 ' O ' ' CB ' ' A' ' 29' ' ' ASP . 0.0 OUTLIER -82.85 140.12 33.09 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.553 1.158 . . . . 0.0 109.325 -179.998 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . 0.49 ' CB ' ' O ' ' A' ' 28' ' ' LYS . 1.9 m-20 81.65 3.94 1.37 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.505 1.128 . . . . 0.0 109.284 -179.951 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -91.87 165.0 13.47 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.472 1.107 . . . . 0.0 110.31 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.527 ' C ' HD22 ' A' ' 32' ' ' LEU . 85.8 t -133.84 119.52 33.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.494 1.121 . . . . 0.0 109.315 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.527 HD22 ' C ' ' A' ' 31' ' ' VAL . 2.5 mm? -109.36 178.14 4.53 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.488 1.117 . . . . 0.0 109.306 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . 0.426 ' O ' ' HA ' ' A' ' 44' ' ' LEU . 7.2 tt0 -107.99 132.24 53.73 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.447 1.092 . . . . 0.0 110.307 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.454 ' HA ' ' CD1' ' A' ' 44' ' ' LEU . 10.4 p -83.49 130.31 36.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.564 1.165 . . . . 0.0 109.309 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.468 HD12 ' N ' ' A' ' 35' ' ' LEU . 6.5 mp -98.26 -51.82 3.87 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.463 1.102 . . . . 0.0 109.323 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -128.65 135.95 49.98 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.464 1.103 . . . . 0.0 110.323 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -132.34 174.55 10.12 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.472 1.107 . . . . 0.0 109.279 -179.946 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 100.0 -3.92 57.27 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.486 1.116 . . . . 0.0 111.022 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 4.1 mtp180 -122.0 162.36 21.27 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.416 0.715 . . . . 0.0 110.316 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -45.34 -72.51 0.06 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.47 1.106 . . . . 0.0 110.248 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' TRP . . . . . 0.412 ' CE3' ' C ' ' A' ' 54' ' ' VAL . 13.1 m95 -84.57 128.59 34.68 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.477 1.11 . . . . 0.0 108.032 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 46.0 m0 -86.79 163.02 17.5 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.532 1.145 . . . . 0.0 108.037 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . 0.442 ' HB2' ' CE1' ' A' ' 53' ' ' TYR . 63.0 tttt -114.45 105.2 12.83 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.451 1.095 . . . . 0.0 109.323 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.797 HD22 ' N ' ' A' ' 44' ' ' LEU . 0.0 OUTLIER -106.71 167.03 10.14 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.556 1.16 . . . . 0.0 109.31 179.985 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . 0.441 ' CB ' HD11 ' A' ' 35' ' ' LEU . 24.3 ttm180 -137.13 127.45 26.44 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.544 1.152 . . . . 0.0 110.308 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 25.6 p -77.12 166.65 22.99 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.518 1.136 . . . . 0.0 109.966 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.39 -11.38 59.53 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.499 1.125 . . . . 0.0 110.311 179.943 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 23.1 t -84.32 8.12 17.11 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.511 1.132 . . . . 0.0 109.968 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 76.11 12.1 84.34 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.557 1.161 . . . . 0.0 111.016 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . 0.415 ' O ' ' HA ' ' A' ' 45' ' ' ARG . 66.5 mm-40 -90.95 143.27 26.9 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.436 0.727 . . . . 0.0 110.289 -179.951 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -133.03 127.75 34.77 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.48 1.112 . . . . 0.0 109.315 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . 0.486 ' N ' HD13 ' A' ' 24' ' ' LEU . . . -150.31 157.9 27.42 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.503 1.127 . . . . 0.0 111.038 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' TYR . . . . . 0.442 ' CE1' ' HB2' ' A' ' 43' ' ' LYS . 47.7 m-85 -88.14 153.27 21.38 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.509 0.77 . . . . 0.0 111.034 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.685 ' CG2' HD23 ' A' ' 44' ' ' LEU . 0.0 OUTLIER -153.47 165.11 18.45 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.51 1.131 . . . . 0.0 109.337 -179.991 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 144.26 30.16 Favored 'Trans proline' 0 C--N 1.359 1.117 0 O-C-N 124.465 1.771 . . . . 0.0 110.976 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 31.2 p -83.95 0.85 46.23 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.506 1.128 . . . . 0.0 108.273 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -74.14 -21.05 60.03 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.504 1.127 . . . . 0.0 109.329 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 31.2 pt -104.97 -19.09 6.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.128 . . . . 0.0 109.272 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.762 ' HB3' HG21 ' A' ' 10' ' ' VAL . 91.6 mt -74.07 153.29 39.69 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.518 1.136 . . . . 0.0 109.274 -179.95 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . 0.539 ' H ' HG22 ' A' ' 10' ' ' VAL . . . . . . . . 0 CA--C 1.53 1.003 0 O-C-N 124.539 1.15 . . . . 0.0 110.973 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 14.8 tttt . . . . . 0 N--CA 1.453 -0.315 0 N-CA-C 109.318 -0.623 . . . . 0.0 109.318 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 94.5 m-85 -136.42 172.08 13.54 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.504 1.127 . . . . 0.0 110.982 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . 0.569 HG23 ' O ' ' A' ' 60' ' ' GLY . 7.1 p -128.54 154.09 38.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.509 1.13 . . . . 0.0 109.263 -179.929 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 12.1 tttt -113.49 123.99 51.33 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.519 1.137 . . . . 0.0 109.34 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.479 HG21 ' O ' ' A' ' 27' ' ' LEU . 51.3 mm -71.09 119.46 17.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.442 1.089 . . . . 0.0 109.3 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 43.3 mt -87.18 -20.51 26.88 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.462 1.101 . . . . 0.0 109.33 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 68.3 m-85 -149.31 136.96 20.29 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.499 1.124 . . . . 0.0 110.96 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 10.3 p-10 -63.58 135.79 57.06 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.44 1.087 . . . . 0.0 109.323 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . 0.514 ' CE2' HG12 ' A' ' 54' ' ' VAL . 85.6 t80 -128.13 136.15 50.76 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.466 1.104 . . . . 0.0 111.021 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 76.8 m -104.92 97.26 7.15 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.521 1.138 . . . . 0.0 110.387 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 0.725 ' HB2' ' C ' ' A' ' 24' ' ' LEU . . . . . . . . 0 C--N 1.325 -0.464 0 O-C-N 124.496 1.123 . . . . 0.0 109.289 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 60.1 mt-10 . . . . . 0 N--CA 1.453 -0.294 0 N-CA-C 110.29 -0.263 . . . . 0.0 110.29 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.725 ' C ' ' HB2' ' A' ' 18' ' ' ALA . 5.1 tp -113.64 146.7 39.36 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.517 1.136 . . . . 0.0 109.317 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 12.9 p -101.86 121.8 42.79 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.486 1.116 . . . . 0.0 110.011 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.448 HG11 ' HG ' ' A' ' 32' ' ' LEU . 34.7 m -134.03 168.63 23.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.473 1.108 . . . . 0.0 109.283 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.479 ' O ' HG21 ' A' ' 12' ' ' ILE . 4.8 mt -118.48 178.76 4.34 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.485 1.116 . . . . 0.0 109.291 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -85.49 147.0 26.67 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.483 1.114 . . . . 0.0 109.329 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 13.1 t70 74.68 5.84 4.45 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.567 1.167 . . . . 0.0 109.305 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -89.31 161.4 16.38 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.457 1.098 . . . . 0.0 110.31 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.406 ' HA ' ' O ' ' A' ' 10' ' ' VAL . 55.0 t -129.95 109.54 17.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.47 1.106 . . . . 0.0 109.3 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.448 ' HG ' HG11 ' A' ' 26' ' ' VAL . 3.1 mm? -100.32 163.76 12.24 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.51 1.131 . . . . 0.0 109.303 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . 0.418 ' O ' ' HA ' ' A' ' 44' ' ' LEU . 4.6 tt0 -97.09 130.53 44.36 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.526 1.141 . . . . 0.0 110.295 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.489 ' HA ' HD12 ' A' ' 44' ' ' LEU . 11.7 p -82.14 132.21 31.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.444 1.09 . . . . 0.0 109.322 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.407 HD13 ' HA ' ' A' ' 44' ' ' LEU . 7.3 mp -105.7 -52.47 2.81 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.454 1.096 . . . . 0.0 109.326 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 13.8 mm-40 -129.27 131.81 47.07 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.473 1.108 . . . . 0.0 110.298 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -132.25 172.86 11.89 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.482 1.114 . . . . 0.0 109.288 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 99.68 -10.11 60.69 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.505 1.128 . . . . 0.0 111.001 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -112.14 161.02 16.99 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.482 0.754 . . . . 0.0 110.289 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -40.62 -72.52 0.06 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.486 1.116 . . . . 0.0 110.277 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' TRP . . . . . 0.476 ' CE3' ' C ' ' A' ' 54' ' ' VAL . 16.6 m95 -88.72 133.79 34.12 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 0.0 107.976 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' TRP . . . . . 0.503 ' CE3' HD13 ' A' ' 59' ' ' LEU . 45.1 m0 -87.17 162.82 17.28 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.544 1.152 . . . . 0.0 108.01 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . 0.443 ' HB2' ' CE1' ' A' ' 53' ' ' TYR . 8.0 tttp -118.77 109.19 15.77 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.488 1.117 . . . . 0.0 109.26 -179.954 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.775 HD22 ' N ' ' A' ' 44' ' ' LEU . 0.0 OUTLIER -112.98 167.32 10.61 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.478 1.111 . . . . 0.0 109.307 179.96 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . 0.501 ' CG ' ' O ' ' A' ' 50' ' ' GLN . 16.8 ttp180 -130.74 126.89 37.58 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.464 1.102 . . . . 0.0 110.271 -179.914 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 63.9 p -68.16 159.63 30.67 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.488 1.118 . . . . 0.0 110.001 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 2.6 mmm-85 -61.05 -16.08 39.59 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.462 1.101 . . . . 0.0 110.317 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -77.55 -16.88 58.39 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.438 1.087 . . . . 0.0 109.951 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 108.98 -12.16 34.46 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.514 1.133 . . . . 0.0 110.968 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . 0.501 ' O ' ' CG ' ' A' ' 45' ' ' ARG . 0.2 OUTLIER -67.28 154.74 40.58 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.505 0.768 . . . . 0.0 110.309 -179.996 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -138.56 129.49 26.74 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.51 1.131 . . . . 0.0 109.303 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . 0.616 ' N ' HD13 ' A' ' 24' ' ' LEU . . . -150.15 164.57 29.7 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.515 1.135 . . . . 0.0 110.978 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' TYR . . . . . 0.443 ' CE1' ' HB2' ' A' ' 43' ' ' LYS . 46.9 m-85 -94.1 152.6 18.65 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.472 0.748 . . . . 0.0 110.983 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.663 ' CG2' HD23 ' A' ' 44' ' ' LEU . 0.0 OUTLIER -152.36 166.03 16.22 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.516 1.135 . . . . 0.0 109.274 -179.982 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 142.59 28.03 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.511 1.795 . . . . 0.0 110.979 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' CYS . . . . . 0.518 ' HA ' HD12 ' A' ' 59' ' ' LEU . 31.9 p -81.54 0.14 39.45 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.471 1.107 . . . . 0.0 108.346 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 50.4 m-80 -71.7 -33.28 68.64 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.48 1.113 . . . . 0.0 109.293 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 11.1 pt -92.82 -22.14 5.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.552 1.158 . . . . 0.0 109.289 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.552 ' HB3' HG21 ' A' ' 10' ' ' VAL . 82.2 mt -70.97 150.48 45.63 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.488 1.118 . . . . 0.0 109.292 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . 0.569 ' O ' HG23 ' A' ' 10' ' ' VAL . . . . . . . . 0 CA--C 1.529 0.967 0 O-C-N 124.508 1.13 . . . . 0.0 110.998 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . 0.436 ' HG2' ' CG1' ' A' ' 34' ' ' VAL . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.311 0 N-CA-C 109.31 -0.626 . . . . 0.0 109.31 . . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 65.6 m-85 -130.72 167.94 18.0 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.445 1.091 . . . . 0.0 111.005 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . 0.477 HG21 ' HB3' ' A' ' 59' ' ' LEU . 4.1 p -131.09 133.21 62.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.514 1.134 . . . . 0.0 109.34 179.935 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -99.8 127.2 45.96 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.467 1.104 . . . . 0.0 109.279 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.578 HG21 ' O ' ' A' ' 27' ' ' LEU . 30.3 mm -71.23 115.58 11.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.465 1.103 . . . . 0.0 109.291 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 91.2 mt -81.25 -23.14 38.21 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.467 1.105 . . . . 0.0 109.294 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . 0.491 ' O ' ' CG2' ' A' ' 12' ' ' ILE . 95.5 m-85 -145.03 141.27 28.75 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.519 1.137 . . . . 0.0 111.003 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . 0.409 ' N ' ' HB2' ' A' ' 28' ' ' LYS . 2.1 p30 -67.11 119.2 11.64 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.506 1.129 . . . . 0.0 109.284 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . 0.536 ' CE2' HG12 ' A' ' 54' ' ' VAL . 61.1 t80 -116.06 146.4 42.23 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.482 1.114 . . . . 0.0 110.966 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 22.3 m -121.77 128.9 52.25 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.491 1.12 . . . . 0.0 110.352 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.549 1.156 . . . . 0.0 109.321 179.96 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 34.0 mt-10 . . . . . 0 N--CA 1.453 -0.298 0 N-CA-C 110.267 -0.272 . . . . 0.0 110.267 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.82 HD13 ' N ' ' A' ' 52' ' ' GLY . 8.4 tp -122.3 140.85 52.16 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.521 1.138 . . . . 0.0 109.322 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 3.8 p -96.0 120.47 36.34 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.502 1.126 . . . . 0.0 110.024 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.514 HG11 ' HG ' ' A' ' 32' ' ' LEU . 26.9 m -141.84 164.4 18.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.549 1.156 . . . . 0.0 109.32 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.578 ' O ' HG21 ' A' ' 12' ' ' ILE . 12.5 mt -108.87 178.98 4.31 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.523 1.139 . . . . 0.0 109.263 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.523 ' O ' ' CB ' ' A' ' 29' ' ' ASP . 25.4 tttt -88.0 141.74 28.34 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.517 1.136 . . . . 0.0 109.295 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . 0.523 ' CB ' ' O ' ' A' ' 28' ' ' LYS . 2.9 m-20 84.77 -10.08 0.85 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.51 1.131 . . . . 0.0 109.309 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -70.71 167.47 18.65 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.446 1.092 . . . . 0.0 110.336 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 73.6 t -134.32 112.09 15.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.54 1.15 . . . . 0.0 109.292 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.744 HD12 ' HA ' ' A' ' 46' ' ' SER . 3.3 mm? -104.59 168.75 8.88 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.513 1.133 . . . . 0.0 109.274 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 8.5 tt0 -99.83 132.13 45.37 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.452 1.095 . . . . 0.0 110.279 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.436 ' CG1' ' HG2' ' A' ' 8' ' ' LYS . 14.4 p -89.51 132.49 34.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.464 1.102 . . . . 0.0 109.283 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.715 HD11 ' HB2' ' A' ' 45' ' ' ARG . 0.5 OUTLIER -115.14 -48.42 2.82 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.499 1.124 . . . . 0.0 109.29 179.994 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -120.44 128.48 53.21 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.521 1.138 . . . . 0.0 110.295 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 2.3 p-10 -138.7 173.74 11.26 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.504 1.127 . . . . 0.0 109.303 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 99.37 -12.06 61.65 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.528 1.142 . . . . 0.0 110.999 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -110.23 164.4 12.69 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.537 0.786 . . . . 0.0 110.337 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 14.2 mm-40 -44.53 -62.47 1.18 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.469 1.106 . . . . 0.0 110.322 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' TRP . . . . . 0.416 ' CE3' ' C ' ' A' ' 54' ' ' VAL . 15.8 m95 -99.23 131.75 45.03 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.498 1.124 . . . . 0.0 107.974 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' TRP . . . . . 0.791 ' CE3' HD13 ' A' ' 59' ' ' LEU . 32.6 m0 -89.02 161.02 16.81 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.519 1.137 . . . . 0.0 107.992 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . 0.515 ' HD2' ' CZ ' ' A' ' 53' ' ' TYR . 17.4 tttt -112.69 99.64 8.09 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.504 1.127 . . . . 0.0 109.304 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.748 HD22 ' N ' ' A' ' 44' ' ' LEU . 0.1 OUTLIER -102.42 167.49 9.92 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.538 1.149 . . . . 0.0 109.284 -179.971 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . 0.715 ' HB2' HD11 ' A' ' 35' ' ' LEU . 18.8 ttp180 -131.17 120.09 22.8 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.496 1.122 . . . . 0.0 110.3 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . 0.744 ' HA ' HD12 ' A' ' 32' ' ' LEU . 1.2 t -67.92 136.37 53.88 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.486 1.116 . . . . 0.0 109.991 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -48.79 -21.38 0.62 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.497 1.123 . . . . 0.0 110.313 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . 0.402 ' N ' ' C ' ' A' ' 46' ' ' SER . 0.6 OUTLIER -66.83 -25.15 66.29 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.494 1.121 . . . . 0.0 110.008 179.961 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 110.1 28.91 3.95 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.487 1.117 . . . . 0.0 110.987 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . 0.681 ' O ' HD11 ' A' ' 24' ' ' LEU . 6.3 mm100 -119.1 130.26 55.49 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.511 0.771 . . . . 0.0 110.346 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . 0.603 ' C ' HD13 ' A' ' 24' ' ' LEU . . . -113.48 128.18 56.36 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.494 1.121 . . . . 0.0 109.269 -179.939 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . 0.82 ' N ' HD13 ' A' ' 24' ' ' LEU . . . -150.66 176.12 29.37 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.503 1.127 . . . . 0.0 111.017 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' TYR . . . . . 0.515 ' CZ ' ' HD2' ' A' ' 43' ' ' LYS . 49.9 m-85 -104.77 148.19 26.88 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.561 0.8 . . . . 0.0 111.005 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.666 ' CG2' HD23 ' A' ' 44' ' ' LEU . 0.0 OUTLIER -151.46 165.91 16.34 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.489 1.118 . . . . 0.0 109.281 -179.978 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 143.32 28.94 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.462 1.77 . . . . 0.0 111.013 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' CYS . . . . . 0.495 ' HA ' HD12 ' A' ' 59' ' ' LEU . 30.7 p -81.7 1.39 34.49 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.478 1.111 . . . . 0.0 108.305 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -74.29 -25.15 59.41 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.514 1.134 . . . . 0.0 109.296 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 25.9 pt -101.42 -19.52 5.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.469 1.106 . . . . 0.0 109.284 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.791 HD13 ' CE3' ' A' ' 42' ' ' TRP . 96.4 mt -67.17 155.73 38.03 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.49 1.118 . . . . 0.0 109.322 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . 0.447 ' H ' HG22 ' A' ' 10' ' ' VAL . . . . . . . . 0 CA--C 1.53 1.029 0 O-C-N 124.483 1.114 . . . . 0.0 111.024 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 11.2 mttt . . . . . 0 N--CA 1.453 -0.289 0 N-CA-C 109.293 -0.632 . . . . 0.0 109.293 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 62.3 m-85 -142.42 175.45 9.77 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.516 1.135 . . . . 0.0 110.956 -179.945 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . 0.55 HG21 ' HB3' ' A' ' 59' ' ' LEU . 9.6 p -134.68 144.03 36.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.505 1.128 . . . . 0.0 109.302 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . 0.475 ' CE ' ' HA ' ' A' ' 29' ' ' ASP . 0.0 OUTLIER -109.28 104.85 14.06 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.497 1.123 . . . . 0.0 109.311 179.994 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.599 HG12 HD23 ' A' ' 32' ' ' LEU . 44.9 mm -48.43 124.1 1.91 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.486 1.116 . . . . 0.0 109.261 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.421 ' HB2' ' CD1' ' A' ' 14' ' ' TYR . 67.8 mt -89.55 -33.32 16.77 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.494 1.121 . . . . 0.0 109.287 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . 0.421 ' CD1' ' HB2' ' A' ' 13' ' ' LEU . 37.0 m-85 -133.3 136.43 45.47 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.469 1.106 . . . . 0.0 110.983 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -62.52 113.89 3.22 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.497 1.123 . . . . 0.0 109.332 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . 0.65 ' CE2' HG12 ' A' ' 54' ' ' VAL . 60.5 t80 -108.98 139.39 43.91 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.504 1.127 . . . . 0.0 111.017 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 4.0 m -116.9 121.34 41.18 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.558 1.162 . . . . 0.0 110.375 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.512 0 O-C-N 124.493 1.12 . . . . 0.0 109.304 179.953 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 28.8 mt-10 . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 110.291 -0.263 . . . . 0.0 110.291 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.49 HD13 ' N ' ' A' ' 52' ' ' GLY . 3.5 tp -107.57 147.48 30.53 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.493 1.121 . . . . 0.0 109.342 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 3.0 p -104.06 115.95 31.35 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.501 1.125 . . . . 0.0 110.021 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.656 HG11 ' HG ' ' A' ' 32' ' ' LEU . 24.1 m -135.61 161.17 39.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.482 1.114 . . . . 0.0 109.307 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.486 ' O ' HG21 ' A' ' 12' ' ' ILE . 1.6 mm? -106.91 179.03 4.38 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.521 1.138 . . . . 0.0 109.356 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.417 ' O ' ' CB ' ' A' ' 29' ' ' ASP . 9.1 tttp -85.34 146.71 26.88 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.5 1.125 . . . . 0.0 109.288 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . 0.475 ' HA ' ' CE ' ' A' ' 11' ' ' LYS . 11.0 t0 76.0 10.78 3.12 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.506 1.129 . . . . 0.0 109.307 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -92.51 158.11 16.19 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.521 1.138 . . . . 0.0 110.299 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.426 ' C ' HD22 ' A' ' 32' ' ' LEU . 55.8 t -125.95 111.12 25.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.523 1.14 . . . . 0.0 109.34 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.656 ' HG ' HG11 ' A' ' 26' ' ' VAL . 2.9 mm? -104.11 176.9 5.0 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.49 1.119 . . . . 0.0 109.318 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . 0.424 ' O ' ' HA ' ' A' ' 44' ' ' LEU . 17.9 tt0 -108.88 130.42 55.43 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.497 1.123 . . . . 0.0 110.27 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.581 ' HA ' HD12 ' A' ' 44' ' ' LEU . 14.7 p -83.49 129.28 37.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.508 1.13 . . . . 0.0 109.302 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.411 HD12 ' N ' ' A' ' 35' ' ' LEU . 7.1 mp -103.84 -55.85 2.31 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.549 1.156 . . . . 0.0 109.319 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 9.5 mm-40 -122.56 132.19 54.19 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.474 1.109 . . . . 0.0 110.289 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -131.5 172.56 12.07 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.474 1.109 . . . . 0.0 109.309 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 86.65 14.69 64.98 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.489 1.118 . . . . 0.0 111.032 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -127.06 158.26 37.46 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.484 0.755 . . . . 0.0 110.273 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 17.2 mt-30 -39.03 -60.7 0.84 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.55 1.156 . . . . 0.0 110.296 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' TRP . . . . . 0.568 ' CZ3' ' HD3' ' A' ' 55' ' ' PRO . 11.6 m95 -107.9 137.78 45.29 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.549 1.156 . . . . 0.0 107.995 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' TRP . . . . . 0.618 ' CE3' HD13 ' A' ' 59' ' ' LEU . 33.3 m0 -83.1 160.73 21.83 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 107.955 -1.128 . . . . 0.0 107.955 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . 0.571 ' HB2' ' CE1' ' A' ' 53' ' ' TYR . 4.8 tttt -122.96 107.79 12.22 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.513 1.133 . . . . 0.0 109.28 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.703 HD22 ' N ' ' A' ' 44' ' ' LEU . 0.0 OUTLIER -108.28 167.17 10.21 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.487 1.117 . . . . 0.0 109.255 -179.979 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . 0.494 ' CG ' ' O ' ' A' ' 50' ' ' GLN . 19.4 ttm180 -138.66 116.95 11.9 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.528 1.143 . . . . 0.0 110.305 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 15.6 t -67.9 168.57 11.45 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.504 1.127 . . . . 0.0 109.998 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.64 -8.17 52.44 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.463 1.102 . . . . 0.0 110.281 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 2.5 p -85.0 7.68 20.47 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.442 1.089 . . . . 0.0 110.013 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 78.35 6.27 87.83 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.514 1.134 . . . . 0.0 111.004 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . 0.494 ' O ' ' CG ' ' A' ' 45' ' ' ARG . 0.2 OUTLIER -83.41 152.51 24.99 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.535 0.785 . . . . 0.0 110.283 -179.988 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -146.28 129.79 16.89 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.537 1.148 . . . . 0.0 109.251 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . 0.49 ' N ' HD13 ' A' ' 24' ' ' LEU . . . -150.23 174.74 29.56 Favored Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.5 1.125 . . . . 0.0 110.996 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' TYR . . . . . 0.571 ' CE1' ' HB2' ' A' ' 43' ' ' LYS . 38.4 m-85 -108.12 143.84 36.33 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.539 0.788 . . . . 0.0 110.991 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.65 HG12 ' CE2' ' A' ' 16' ' ' PHE . 0.0 OUTLIER -146.35 163.97 27.12 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.49 1.119 . . . . 0.0 109.339 179.983 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' PRO . . . . . 0.568 ' HD3' ' CZ3' ' A' ' 41' ' ' TRP . 18.4 Cg_endo -74.99 143.25 28.89 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.502 1.791 . . . . 0.0 111.016 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' CYS . . . . . 0.53 ' HA ' HD12 ' A' ' 59' ' ' LEU . 30.3 p -79.67 -2.31 42.21 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.463 1.102 . . . . 0.0 108.266 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 1.6 m-20 -68.18 -37.48 81.01 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.47 1.106 . . . . 0.0 109.298 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 7.7 pt -88.27 -24.08 6.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.452 1.095 . . . . 0.0 109.324 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.618 HD13 ' CE3' ' A' ' 42' ' ' TRP . 70.1 mt -71.22 155.96 40.1 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.554 1.159 . . . . 0.0 109.281 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.995 0 O-C-N 124.494 1.122 . . . . 0.0 111.026 -179.961 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.989 0 N-CA-C 110.986 -0.846 . . . . 0.0 110.986 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 24.4 p -63.64 136.54 57.58 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.466 0.745 . . . . 0.0 110.024 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 5.6 t -92.99 -56.49 2.96 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.526 1.141 . . . . 0.0 109.975 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -117.82 148.12 18.66 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.512 1.132 . . . . 0.0 111.01 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 96.9 p -110.49 -18.9 13.11 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.452 0.736 . . . . 0.0 110.005 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 93.8 p -129.03 103.25 6.89 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.53 1.144 . . . . 0.0 109.971 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -122.37 -130.52 3.73 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.468 1.105 . . . . 0.0 111.01 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -132.47 169.83 16.0 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.532 0.783 . . . . 0.0 109.305 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 82.7 m-85 -145.98 169.82 17.87 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.532 1.145 . . . . 0.0 110.968 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.494 HG23 ' O ' ' A' ' 60' ' ' GLY . 7.0 p -131.14 137.6 55.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.512 1.132 . . . . 0.0 109.296 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -104.22 109.59 21.47 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.498 1.124 . . . . 0.0 109.304 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 50.8 mm -52.42 138.25 11.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.457 1.098 . . . . 0.0 109.249 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 87.3 mt -103.09 -36.96 7.95 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.469 1.106 . . . . 0.0 109.326 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 57.7 m-85 -127.12 135.61 50.97 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.465 1.103 . . . . 0.0 110.997 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 1.5 p-10 -63.74 121.23 13.47 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.494 1.121 . . . . 0.0 109.263 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . 0.409 ' CE2' HG12 ' A' ' 54' ' ' VAL . 69.0 t80 -114.29 140.46 48.58 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.52 1.138 . . . . 0.0 111.0 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 30.8 m -112.12 96.36 5.99 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.51 1.131 . . . . 0.0 110.426 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.687 ' HB2' ' C ' ' A' ' 24' ' ' LEU . . . -40.8 116.13 0.67 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.497 1.123 . . . . 0.0 109.295 -179.944 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 14.2 mmm180 -70.98 -31.03 67.45 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.472 1.107 . . . . 0.0 110.302 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 40.9 m-80 -140.19 -176.15 4.5 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.467 1.104 . . . . 0.0 109.301 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -65.84 -49.5 67.94 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.504 1.127 . . . . 0.0 109.256 -179.918 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 1.9 p30 -46.13 -30.64 2.0 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.456 1.098 . . . . 0.0 109.309 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 29.3 mt-10 -91.86 153.24 19.67 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.518 1.136 . . . . 0.0 110.306 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.687 ' C ' ' HB2' ' A' ' 18' ' ' ALA . 8.4 tp -109.43 138.26 46.05 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.54 1.15 . . . . 0.0 109.308 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 4.0 p -94.31 118.38 31.51 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.504 1.127 . . . . 0.0 109.99 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 34.5 m -128.86 175.16 10.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.497 1.123 . . . . 0.0 109.286 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 17.9 mt -125.93 178.89 5.47 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.441 1.088 . . . . 0.0 109.282 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.407 ' HG2' ' N ' ' A' ' 29' ' ' ASP . 1.4 tttt -82.69 141.49 32.4 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.529 1.143 . . . . 0.0 109.266 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . 0.407 ' N ' ' HG2' ' A' ' 28' ' ' LYS . 0.2 OUTLIER 73.21 26.3 2.13 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.548 1.155 . . . . 0.0 109.34 -179.993 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 8.7 mt-10 -105.23 158.48 16.57 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.471 1.107 . . . . 0.0 110.266 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 69.3 t -131.79 115.71 28.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.472 1.108 . . . . 0.0 109.306 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.591 HD22 ' N ' ' A' ' 32' ' ' LEU . 2.1 mm? -105.78 179.11 4.37 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.494 1.121 . . . . 0.0 109.32 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 4.8 tt0 -107.08 112.81 25.91 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.519 1.137 . . . . 0.0 110.312 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.464 ' HA ' HD13 ' A' ' 44' ' ' LEU . 9.9 p -71.98 131.84 34.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.528 1.142 . . . . 0.0 109.339 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.648 HD11 ' HB2' ' A' ' 45' ' ' ARG . 4.2 mt -115.62 -44.84 2.93 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.525 1.14 . . . . 0.0 109.318 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -121.5 123.91 43.17 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.448 1.093 . . . . 0.0 110.313 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -129.03 176.64 7.73 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.459 1.1 . . . . 0.0 109.292 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 68.99 19.17 73.45 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.537 1.148 . . . . 0.0 110.953 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -127.9 163.43 24.46 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.531 0.783 . . . . 0.0 110.287 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 3.8 mt-30 -38.82 -68.41 0.16 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.456 1.097 . . . . 0.0 110.299 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' TRP . . . . . 0.569 ' CZ3' ' HD3' ' A' ' 55' ' ' PRO . 11.3 m0 -111.73 137.83 49.11 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.537 1.148 . . . . 0.0 107.999 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' TRP . . . . . 0.84 ' CE3' HD13 ' A' ' 59' ' ' LEU . 46.6 m0 -83.38 157.72 22.41 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.478 1.111 . . . . 0.0 108.01 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 0.569 ' HB2' ' CE1' ' A' ' 53' ' ' TYR . 9.5 tttp -116.07 99.88 7.56 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.504 1.128 . . . . 0.0 109.322 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.762 HD23 ' CG2' ' A' ' 54' ' ' VAL . 0.3 OUTLIER -95.74 167.04 11.52 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.485 1.116 . . . . 0.0 109.354 -179.988 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . 0.648 ' HB2' HD11 ' A' ' 35' ' ' LEU . 8.1 ttp180 -137.5 122.82 19.41 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.467 1.105 . . . . 0.0 110.321 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . 0.457 ' HA ' HD12 ' A' ' 32' ' ' LEU . 9.7 t -73.32 168.91 18.22 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.546 1.154 . . . . 0.0 110.045 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 5.8 mmt85 -71.71 -16.87 62.24 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.494 1.121 . . . . 0.0 110.326 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 44.1 m -69.42 -23.53 63.71 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.488 1.118 . . . . 0.0 110.054 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 106.96 17.34 11.87 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.494 1.121 . . . . 0.0 110.943 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . 0.409 ' O ' ' HA ' ' A' ' 45' ' ' ARG . 1.7 mp0 -99.68 152.52 19.98 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.488 0.758 . . . . 0.0 110.249 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . 0.531 ' C ' HD13 ' A' ' 24' ' ' LEU . . . -140.2 131.26 26.28 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.484 1.115 . . . . 0.0 109.262 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . 0.681 ' N ' HD13 ' A' ' 24' ' ' LEU . . . -150.15 175.95 29.0 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.507 1.129 . . . . 0.0 111.011 179.937 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' TYR . . . . . 0.569 ' CE1' ' HB2' ' A' ' 43' ' ' LYS . 43.2 m-85 -105.22 143.08 33.89 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.496 0.762 . . . . 0.0 111.005 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.762 ' CG2' HD23 ' A' ' 44' ' ' LEU . 0.0 OUTLIER -144.57 164.06 30.42 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.503 1.127 . . . . 0.0 109.275 -179.976 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . 0.569 ' HD3' ' CZ3' ' A' ' 41' ' ' TRP . 18.3 Cg_endo -74.97 142.46 27.98 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.537 1.809 . . . . 0.0 110.993 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' CYS . . . . . 0.476 ' HA ' HD12 ' A' ' 59' ' ' LEU . 24.4 p -79.37 -4.45 51.05 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.505 1.128 . . . . 0.0 108.251 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 2.1 t30 -66.36 -38.28 87.23 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.539 1.15 . . . . 0.0 109.292 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 13.5 pt -87.5 -23.68 6.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.55 1.156 . . . . 0.0 109.363 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.84 HD13 ' CE3' ' A' ' 42' ' ' TRP . 84.4 mt -64.48 163.03 14.12 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.522 1.139 . . . . 0.0 109.282 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . 0.494 ' O ' HG23 ' A' ' 10' ' ' VAL . . . -163.33 153.42 23.9 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.439 1.087 . . . . 0.0 111.04 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -64.45 129.96 41.88 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.497 0.763 . . . . 0.0 110.297 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -104.22 126.62 51.48 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.554 1.159 . . . . 0.0 109.303 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 93.7 p -143.17 160.21 40.86 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.493 1.12 . . . . 0.0 109.998 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -118.37 163.55 13.01 Favored Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.52 1.138 . . . . 0.0 111.037 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 -53.57 0.1 OUTLIER 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.497 1.788 . . . . 0.0 110.99 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 7.6 m -125.2 94.97 4.32 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.528 1.142 . . . . 0.0 109.998 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 13.8 p -170.96 99.21 0.22 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.511 1.132 . . . . 0.0 109.982 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.998 0 O-C-N 124.5 1.125 . . . . 0.0 110.999 179.978 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.957 0 N-CA-C 110.98 -0.848 . . . . 0.0 110.98 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 78.9 p -169.34 148.99 3.98 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.444 0.732 . . . . 0.0 109.993 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.6 t 74.63 -58.8 0.57 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.449 1.093 . . . . 0.0 110.032 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -108.05 80.52 0.27 Allowed Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.492 1.12 . . . . 0.0 110.979 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 42.3 t -147.16 123.43 10.9 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.519 0.776 . . . . 0.0 110.017 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 23.8 p -177.6 162.02 1.76 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.471 1.107 . . . . 0.0 109.968 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 171.49 146.13 5.13 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.503 1.127 . . . . 0.0 111.019 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.29 162.0 24.8 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.479 0.752 . . . . 0.0 109.322 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . 0.414 ' O ' ' HB3' ' A' ' 62' ' ' ALA . 48.4 m-85 -138.08 158.56 44.07 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.516 1.135 . . . . 0.0 111.005 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.493 HG21 HD22 ' A' ' 59' ' ' LEU . 7.1 p -124.99 141.79 43.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.485 1.116 . . . . 0.0 109.314 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 9.3 tttt -107.43 121.76 45.26 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.527 1.142 . . . . 0.0 109.287 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.698 HD11 HD23 ' A' ' 32' ' ' LEU . 25.3 mm -66.83 120.67 14.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.502 1.126 . . . . 0.0 109.291 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 95.9 mt -84.19 -25.45 29.53 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.523 1.14 . . . . 0.0 109.298 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . 0.482 ' O ' ' CG2' ' A' ' 12' ' ' ILE . 74.1 m-85 -143.53 144.27 31.89 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.519 1.137 . . . . 0.0 111.034 179.943 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . 0.422 ' HB2' HD23 ' A' ' 27' ' ' LEU . 5.5 p30 -67.37 130.81 44.25 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.495 1.122 . . . . 0.0 109.281 -179.934 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . 0.522 ' CE2' HG12 ' A' ' 54' ' ' VAL . 76.4 t80 -127.2 143.34 51.27 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.51 1.131 . . . . 0.0 111.0 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.402 ' O ' ' C ' ' A' ' 18' ' ' ALA . 24.2 m -119.12 111.26 18.04 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.487 1.117 . . . . 0.0 110.39 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.402 ' C ' ' O ' ' A' ' 17' ' ' THR . . . -40.42 114.87 0.5 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.525 1.141 . . . . 0.0 109.325 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 28.0 mmt-85 -90.46 -19.33 24.0 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.542 1.151 . . . . 0.0 110.32 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -125.32 -173.83 2.91 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.121 . . . . 0.0 109.316 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -86.39 -27.27 24.31 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.467 1.104 . . . . 0.0 109.289 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 14.7 m-80 -93.87 40.99 1.08 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.456 1.098 . . . . 0.0 109.355 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 23.3 mt-10 -140.85 160.87 39.12 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.488 1.117 . . . . 0.0 110.336 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.484 HD23 HG13 ' A' ' 26' ' ' VAL . 2.0 tp -115.26 151.72 34.01 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.497 1.123 . . . . 0.0 109.298 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 4.9 p -108.63 118.04 35.74 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.554 1.159 . . . . 0.0 110.0 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.484 HG13 HD23 ' A' ' 24' ' ' LEU . 15.8 m -133.41 167.05 27.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.442 1.089 . . . . 0.0 109.3 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.422 HD23 ' HB2' ' A' ' 15' ' ' ASP . 27.4 mt -117.52 179.12 4.15 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.463 1.102 . . . . 0.0 109.267 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.438 ' O ' ' CB ' ' A' ' 29' ' ' ASP . 2.8 tttt -80.13 141.03 36.14 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.495 1.122 . . . . 0.0 109.293 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . 0.438 ' CB ' ' O ' ' A' ' 28' ' ' LYS . 12.0 t0 77.07 28.61 0.63 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.531 1.144 . . . . 0.0 109.339 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 14.2 mt-10 -109.65 162.19 14.66 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.523 1.139 . . . . 0.0 110.297 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.414 ' C ' HD22 ' A' ' 32' ' ' LEU . 69.8 t -134.02 125.81 49.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.531 1.144 . . . . 0.0 109.315 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.698 HD23 HD11 ' A' ' 12' ' ' ILE . 2.3 mm? -115.43 178.45 4.29 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.122 . . . . 0.0 109.339 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . 0.466 ' HG2' ' CD2' ' A' ' 35' ' ' LEU . 3.5 tt0 -109.47 102.62 11.47 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.482 1.114 . . . . 0.0 110.306 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 12.5 p -71.24 125.36 29.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.484 1.115 . . . . 0.0 109.278 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.466 ' CD2' ' HG2' ' A' ' 33' ' ' GLU . 0.3 OUTLIER -108.03 -42.95 4.53 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.488 1.117 . . . . 0.0 109.268 -179.977 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -118.41 127.2 53.45 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.517 1.136 . . . . 0.0 110.284 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 6.0 p-10 -137.85 174.8 10.19 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.486 1.116 . . . . 0.0 109.326 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 95.5 -12.17 67.97 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.482 1.114 . . . . 0.0 111.003 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -108.77 161.76 14.81 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.539 0.788 . . . . 0.0 110.293 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 7.6 tt0 -43.34 -65.88 0.44 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.487 1.117 . . . . 0.0 110.261 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' TRP . . . . . 0.555 ' CE3' ' C ' ' A' ' 54' ' ' VAL . 22.4 m95 -96.34 133.85 40.21 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.511 1.132 . . . . 0.0 108.034 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' TRP . . . . . 0.758 ' CE3' HD13 ' A' ' 59' ' ' LEU . 31.6 m0 -94.49 164.48 12.97 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.49 1.119 . . . . 0.0 107.999 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 0.409 ' HB2' ' CE1' ' A' ' 53' ' ' TYR . 14.9 tttt -116.42 99.72 7.38 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.504 1.128 . . . . 0.0 109.345 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.758 HD23 ' CG2' ' A' ' 54' ' ' VAL . 0.4 OUTLIER -94.78 167.16 11.61 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.53 1.144 . . . . 0.0 109.307 -179.993 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 60.2 ttp85 -144.29 114.55 7.48 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.497 1.123 . . . . 0.0 110.275 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -72.38 160.48 32.27 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.535 1.147 . . . . 0.0 110.017 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.26 -18.3 25.62 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.497 1.123 . . . . 0.0 110.315 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 1.3 m -70.19 -6.94 37.96 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.535 1.147 . . . . 0.0 109.999 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 91.9 -16.74 58.71 Favored Glycine 0 CA--C 1.529 0.935 0 O-C-N 124.501 1.126 . . . . 0.0 110.974 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 1.6 mp0 -65.02 153.08 41.77 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.44 0.729 . . . . 0.0 110.318 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -145.65 129.31 17.12 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.546 1.154 . . . . 0.0 109.266 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . 0.413 ' CA ' ' HB2' ' A' ' 24' ' ' LEU . . . -150.24 165.95 29.96 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.47 1.106 . . . . 0.0 110.99 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' TYR . . . . . 0.409 ' CE1' ' HB2' ' A' ' 43' ' ' LYS . 47.9 m-85 -93.96 147.71 22.84 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.49 0.759 . . . . 0.0 111.009 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.758 ' CG2' HD23 ' A' ' 44' ' ' LEU . 0.0 OUTLIER -148.39 166.33 15.87 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.469 1.105 . . . . 0.0 109.298 179.978 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 143.21 28.87 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.501 1.79 . . . . 0.0 110.988 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' CYS . . . . . 0.478 ' HA ' HD12 ' A' ' 59' ' ' LEU . 14.4 p -79.36 -2.0 39.59 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.518 1.136 . . . . 0.0 108.34 179.953 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 4.2 m120 -70.02 -34.19 72.96 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.476 1.11 . . . . 0.0 109.335 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 16.8 pt -92.45 -19.3 6.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.505 1.128 . . . . 0.0 109.28 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.758 HD13 ' CE3' ' A' ' 42' ' ' TRP . 98.1 mt -71.4 154.29 41.66 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.528 1.143 . . . . 0.0 109.276 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -146.86 133.69 4.92 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.465 1.103 . . . . 0.0 111.033 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -60.81 108.85 0.91 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.502 0.766 . . . . 0.0 110.288 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . 0.414 ' HB3' ' O ' ' A' ' 9' ' ' TYR . . . -98.39 118.09 34.28 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.519 1.137 . . . . 0.0 109.294 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 53.7 p -51.27 157.07 1.02 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.464 1.102 . . . . 0.0 110.003 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -99.42 160.07 19.82 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.54 1.15 . . . . 0.0 110.986 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 156.0 42.97 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.488 1.783 . . . . 0.0 110.994 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -177.08 87.61 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.485 1.115 . . . . 0.0 110.015 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 22.1 t -149.87 108.72 3.87 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.527 1.142 . . . . 0.0 110.031 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.034 0 O-C-N 124.484 1.115 . . . . 0.0 110.984 -179.998 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.004 0 N-CA-C 111.044 -0.822 . . . . 0.0 111.044 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -156.86 -58.89 0.09 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.524 0.779 . . . . 0.0 109.97 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -145.87 103.9 3.8 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.502 1.126 . . . . 0.0 110.035 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -171.47 72.43 0.11 Allowed Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.487 1.117 . . . . 0.0 110.951 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.8 t -175.17 139.28 0.46 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.561 0.8 . . . . 0.0 109.968 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 74.7 -59.1 0.56 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.561 1.163 . . . . 0.0 109.972 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -37.78 148.24 0.08 OUTLIER Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.505 1.128 . . . . 0.0 111.022 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -128.78 167.6 17.08 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.506 0.768 . . . . 0.0 109.292 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . 0.471 ' CE1' ' HG3' ' A' ' 33' ' ' GLU . 89.5 m-85 -146.41 167.4 23.7 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.473 1.108 . . . . 0.0 111.009 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.678 HG21 ' HB3' ' A' ' 59' ' ' LEU . 9.4 p -134.76 139.02 48.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.53 1.144 . . . . 0.0 109.299 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.457 ' CE ' ' HA ' ' A' ' 29' ' ' ASP . 5.5 tttt -99.38 122.68 42.85 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.477 1.111 . . . . 0.0 109.327 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 48.1 mm -67.86 123.14 20.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.531 1.145 . . . . 0.0 109.286 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 88.3 mt -88.21 -28.29 21.25 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.464 1.103 . . . . 0.0 109.311 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 74.3 m-85 -138.85 138.07 37.15 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.461 1.101 . . . . 0.0 110.986 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -63.42 121.18 13.17 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.54 1.15 . . . . 0.0 109.352 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . 0.627 ' CE2' HG12 ' A' ' 54' ' ' VAL . 56.8 t80 -121.08 141.42 50.8 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.499 1.125 . . . . 0.0 111.017 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.4 ' O ' ' C ' ' A' ' 18' ' ' ALA . 20.6 m -122.31 114.98 21.53 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.539 1.149 . . . . 0.0 110.366 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.4 ' C ' ' O ' ' A' ' 17' ' ' THR . . . -40.28 115.11 0.51 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.527 1.142 . . . . 0.0 109.288 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 15.8 mmt85 -88.6 -15.87 33.97 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.492 1.12 . . . . 0.0 110.296 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -132.99 -173.16 3.11 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.53 1.143 . . . . 0.0 109.297 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -81.17 -28.89 34.83 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.49 1.119 . . . . 0.0 109.29 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 3.4 m120 -93.7 41.39 1.08 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.558 1.161 . . . . 0.0 109.259 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 15.9 mt-10 -143.68 150.81 39.24 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.51 1.131 . . . . 0.0 110.334 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.541 HD13 ' N ' ' A' ' 52' ' ' GLY . 5.5 tp -111.29 138.93 47.14 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.439 1.087 . . . . 0.0 109.299 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 11.1 m -97.56 123.32 41.39 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.481 1.113 . . . . 0.0 110.015 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.513 HG11 ' HG ' ' A' ' 32' ' ' LEU . 27.5 m -132.85 172.24 16.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.507 1.129 . . . . 0.0 109.294 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 4.6 mt -119.87 179.09 4.36 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.493 1.121 . . . . 0.0 109.285 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.43 ' O ' ' CB ' ' A' ' 29' ' ' ASP . 13.3 tttm -82.67 141.81 32.18 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.464 1.102 . . . . 0.0 109.302 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . 0.457 ' HA ' ' CE ' ' A' ' 11' ' ' LYS . 2.2 m-20 77.0 9.21 2.8 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.505 1.128 . . . . 0.0 109.355 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 4.2 mt-10 -96.84 149.36 21.94 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.487 1.117 . . . . 0.0 110.31 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.489 ' C ' HD22 ' A' ' 32' ' ' LEU . 75.8 t -122.49 127.86 75.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.544 1.153 . . . . 0.0 109.27 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.518 HD22 ' N ' ' A' ' 32' ' ' LEU . 2.7 mm? -110.71 177.53 4.65 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.422 1.076 . . . . 0.0 109.321 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . 0.471 ' HG3' ' CE1' ' A' ' 9' ' ' TYR . 2.7 tt0 -102.9 114.8 29.38 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.465 1.103 . . . . 0.0 110.288 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 10.1 p -80.33 129.66 37.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.472 1.107 . . . . 0.0 109.289 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.483 HD11 ' HB2' ' A' ' 45' ' ' ARG . 0.2 OUTLIER -116.56 -44.91 2.83 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.538 1.149 . . . . 0.0 109.288 -179.999 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -119.58 124.93 47.58 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.478 1.111 . . . . 0.0 110.34 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 1.7 p-10 -136.62 177.08 8.13 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.53 1.144 . . . . 0.0 109.281 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 77.62 16.01 80.68 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.549 1.156 . . . . 0.0 111.001 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -128.0 166.06 19.09 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.488 0.758 . . . . 0.0 110.271 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -38.82 -67.77 0.19 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.518 1.136 . . . . 0.0 110.299 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' TRP . . . . . 0.533 ' CZ3' ' HD3' ' A' ' 55' ' ' PRO . 11.2 m0 -111.02 138.64 47.18 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.491 1.119 . . . . 0.0 107.999 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' TRP . . . . . 0.587 ' CE3' HD13 ' A' ' 59' ' ' LEU . 46.6 m0 -83.41 158.95 21.91 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.522 1.139 . . . . 0.0 107.97 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 0.567 ' HB2' ' CE1' ' A' ' 53' ' ' TYR . 2.9 tttt -116.71 99.96 7.49 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.457 1.098 . . . . 0.0 109.321 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.776 HD23 ' CG2' ' A' ' 54' ' ' VAL . 0.2 OUTLIER -98.28 166.2 11.5 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.519 1.137 . . . . 0.0 109.257 -179.956 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . 0.483 ' HB2' HD11 ' A' ' 35' ' ' LEU . 24.5 ttp180 -134.32 126.63 30.11 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.552 1.158 . . . . 0.0 110.269 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . 0.43 ' HA ' HD12 ' A' ' 32' ' ' LEU . 9.6 p -75.0 169.82 17.24 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.522 1.139 . . . . 0.0 110.001 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.89 -4.82 37.29 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.529 1.143 . . . . 0.0 110.306 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -92.91 15.64 14.41 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.528 1.142 . . . . 0.0 110.042 179.946 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 71.23 13.94 73.71 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.475 1.109 . . . . 0.0 110.997 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . 0.443 ' O ' ' CG ' ' A' ' 45' ' ' ARG . 84.8 mm-40 -91.02 151.6 20.98 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.488 0.757 . . . . 0.0 110.322 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . 0.447 ' C ' HD13 ' A' ' 24' ' ' LEU . . . -141.92 130.58 22.74 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.533 1.146 . . . . 0.0 109.308 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . 0.541 ' N ' HD13 ' A' ' 24' ' ' LEU . . . -150.04 168.1 30.07 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.506 1.129 . . . . 0.0 111.039 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' TYR . . . . . 0.567 ' CE1' ' HB2' ' A' ' 43' ' ' LYS . 46.5 m-85 -100.05 144.94 28.5 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.519 0.776 . . . . 0.0 111.045 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.776 ' CG2' HD23 ' A' ' 44' ' ' LEU . 0.0 OUTLIER -147.78 165.1 19.52 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.51 1.131 . . . . 0.0 109.303 -179.952 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . 0.533 ' HD3' ' CZ3' ' A' ' 41' ' ' TRP . 18.2 Cg_endo -74.96 139.65 24.65 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.512 1.796 . . . . 0.0 111.047 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' CYS . . . . . 0.675 ' HA ' HD12 ' A' ' 59' ' ' LEU . 31.2 p -77.02 -5.48 48.91 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.473 1.108 . . . . 0.0 108.318 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 2.6 m120 -64.19 -45.52 87.95 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.468 1.105 . . . . 0.0 109.289 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 10.3 pt -79.31 -26.17 12.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.54 1.15 . . . . 0.0 109.329 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.678 ' HB3' HG21 ' A' ' 10' ' ' VAL . 73.8 mt -67.94 156.02 38.17 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.473 1.108 . . . . 0.0 109.297 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . 0.583 ' O ' HG23 ' A' ' 10' ' ' VAL . . . -134.61 -158.68 8.52 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.466 1.104 . . . . 0.0 111.007 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 4.3 mt-10 -119.96 110.72 17.04 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.534 0.785 . . . . 0.0 110.294 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -99.74 145.99 27.05 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.443 1.089 . . . . 0.0 109.37 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -65.56 168.74 7.02 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.533 1.146 . . . . 0.0 110.008 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -177.11 -176.59 45.36 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.509 1.131 . . . . 0.0 110.96 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.92 81.73 2.13 Favored 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.486 1.782 . . . . 0.0 111.027 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -142.13 -58.97 0.46 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.48 1.112 . . . . 0.0 109.988 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -116.25 120.9 40.42 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.478 1.112 . . . . 0.0 110.029 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.021 0 O-C-N 124.496 1.123 . . . . 0.0 110.957 -179.973 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.015 0 N-CA-C 111.008 -0.837 . . . . 0.0 111.008 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -91.8 -58.35 2.44 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.462 0.742 . . . . 0.0 110.011 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.6 m 58.1 80.55 0.17 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.486 1.116 . . . . 0.0 109.991 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 159.32 -64.98 0.29 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.512 1.133 . . . . 0.0 110.958 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -85.85 109.48 18.73 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.514 0.773 . . . . 0.0 110.007 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 75.3 m -98.27 94.28 6.69 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.492 1.12 . . . . 0.0 109.988 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -85.05 122.58 5.97 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.497 1.123 . . . . 0.0 110.988 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 1.2 tttt -110.54 158.47 18.5 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.462 0.742 . . . . 0.0 109.33 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . 0.555 ' CE1' ' HG3' ' A' ' 33' ' ' GLU . 85.1 m-85 -137.49 161.64 35.84 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.526 1.142 . . . . 0.0 110.98 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.469 HG21 HD22 ' A' ' 59' ' ' LEU . 9.8 p -129.52 138.91 53.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.526 1.141 . . . . 0.0 109.265 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.46 ' HG3' ' CG2' ' A' ' 31' ' ' VAL . 0.5 OUTLIER -103.35 113.11 26.34 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.466 1.104 . . . . 0.0 109.3 179.96 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.408 ' CG2' ' O ' ' A' ' 14' ' ' TYR . 45.7 mm -58.42 121.14 5.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.508 1.13 . . . . 0.0 109.295 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 88.8 mt -84.83 -23.19 29.17 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.496 1.123 . . . . 0.0 109.297 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . 0.408 ' O ' ' CG2' ' A' ' 12' ' ' ILE . 81.2 m-85 -149.84 141.66 23.72 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.509 1.131 . . . . 0.0 110.998 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . 0.475 ' CB ' HD23 ' A' ' 27' ' ' LEU . 2.3 p30 -62.27 138.67 58.47 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.486 1.116 . . . . 0.0 109.288 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . 0.642 ' CE2' HG12 ' A' ' 54' ' ' VAL . 90.6 t80 -132.51 143.77 49.98 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.446 1.091 . . . . 0.0 111.038 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 18.8 m -113.63 111.16 21.39 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.466 1.104 . . . . 0.0 110.406 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.473 ' HB2' ' C ' ' A' ' 24' ' ' LEU . . . -56.33 113.58 1.63 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.464 1.102 . . . . 0.0 109.326 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 26.3 mmm-85 -79.25 -17.29 55.02 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.501 1.126 . . . . 0.0 110.324 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 23.7 m-80 -134.75 178.94 6.62 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.46 1.1 . . . . 0.0 109.301 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -78.39 -36.94 45.17 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.497 1.123 . . . . 0.0 109.318 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 2.7 m-20 -64.02 -14.43 54.13 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.559 1.162 . . . . 0.0 109.345 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -97.73 158.89 15.26 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.475 1.11 . . . . 0.0 110.305 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.497 HD13 ' N ' ' A' ' 52' ' ' GLY . 4.9 tp -115.87 140.63 49.04 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.499 1.124 . . . . 0.0 109.282 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -98.8 124.02 43.42 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.545 1.153 . . . . 0.0 110.041 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.615 HG11 ' HG ' ' A' ' 32' ' ' LEU . 15.8 m -137.53 171.88 15.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.523 1.139 . . . . 0.0 109.309 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.475 HD23 ' CB ' ' A' ' 15' ' ' ASP . 6.3 mt -120.88 179.18 4.44 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.516 1.135 . . . . 0.0 109.319 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.466 ' O ' ' CB ' ' A' ' 29' ' ' ASP . 7.4 tttt -82.49 144.13 30.64 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.561 1.163 . . . . 0.0 109.261 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . 0.466 ' CB ' ' O ' ' A' ' 28' ' ' LYS . 2.5 m-20 79.0 3.79 2.39 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.538 1.149 . . . . 0.0 109.298 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -93.9 153.13 18.4 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.466 1.104 . . . . 0.0 110.309 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.46 ' CG2' ' HG3' ' A' ' 11' ' ' LYS . 56.5 t -126.01 128.43 71.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.548 1.155 . . . . 0.0 109.285 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.615 ' HG ' HG11 ' A' ' 26' ' ' VAL . 2.9 mm? -112.53 175.93 5.23 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.504 1.127 . . . . 0.0 109.289 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . 0.555 ' HG3' ' CE1' ' A' ' 9' ' ' TYR . 2.8 tt0 -103.17 110.76 22.83 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.516 1.135 . . . . 0.0 110.317 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.703 ' HA ' HD13 ' A' ' 44' ' ' LEU . 6.5 p -75.96 131.2 35.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.534 1.146 . . . . 0.0 109.299 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.64 HD11 ' HB2' ' A' ' 45' ' ' ARG . 1.6 mt -113.86 -43.32 3.28 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.498 1.124 . . . . 0.0 109.302 -179.949 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -123.93 128.5 49.52 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.464 1.103 . . . . 0.0 110.293 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 1.6 p-10 -137.61 172.09 13.48 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.519 1.137 . . . . 0.0 109.309 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 91.39 11.67 60.68 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.504 1.128 . . . . 0.0 111.04 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . 0.401 ' O ' ' C ' ' A' ' 40' ' ' GLN . 22.4 ttp85 -127.93 163.78 23.73 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.486 0.756 . . . . 0.0 110.289 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . 0.401 ' C ' ' O ' ' A' ' 39' ' ' ARG . 4.2 mt-30 -38.85 -62.11 0.66 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.535 1.147 . . . . 0.0 110.282 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' TRP . . . . . 0.557 ' CZ3' ' HD3' ' A' ' 55' ' ' PRO . 11.2 m0 -112.71 135.54 53.33 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.525 1.141 . . . . 0.0 107.973 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' TRP . . . . . 0.657 ' CE3' HD13 ' A' ' 59' ' ' LEU . 36.1 m0 -84.99 162.85 19.21 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 108.002 -1.11 . . . . 0.0 108.002 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 0.402 ' HB2' ' CE1' ' A' ' 53' ' ' TYR . 24.0 tttt -113.93 100.04 8.12 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.539 1.149 . . . . 0.0 109.304 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.752 HD22 ' N ' ' A' ' 44' ' ' LEU . 0.5 OUTLIER -96.68 166.82 11.48 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.537 1.148 . . . . 0.0 109.305 -179.983 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . 0.64 ' HB2' HD11 ' A' ' 35' ' ' LEU . 14.9 ttp180 -135.02 130.88 36.39 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.505 1.128 . . . . 0.0 110.291 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 55.4 p -75.02 169.73 17.42 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.498 1.124 . . . . 0.0 110.021 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.44 -5.84 39.45 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.501 1.126 . . . . 0.0 110.318 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 3.9 m -91.04 -2.59 57.63 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.507 1.129 . . . . 0.0 109.993 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 95.16 -7.76 69.55 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.486 1.116 . . . . 0.0 111.0 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . 0.499 ' O ' ' CG ' ' A' ' 45' ' ' ARG . 0.6 OUTLIER -69.38 154.15 42.47 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.539 0.788 . . . . 0.0 110.338 179.989 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -143.83 129.96 19.67 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.455 1.097 . . . . 0.0 109.36 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . 0.497 ' N ' HD13 ' A' ' 24' ' ' LEU . . . -150.0 161.3 28.84 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.483 1.115 . . . . 0.0 110.982 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' TYR . . . . . 0.402 ' CE1' ' HB2' ' A' ' 43' ' ' LYS . 54.4 m-85 -89.23 152.11 21.77 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.511 0.771 . . . . 0.0 111.026 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.732 ' CG2' HD23 ' A' ' 44' ' ' LEU . 0.0 OUTLIER -151.38 162.39 26.9 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.523 1.139 . . . . 0.0 109.295 -179.983 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . 0.557 ' HD3' ' CZ3' ' A' ' 41' ' ' TRP . 18.2 Cg_endo -75.05 143.88 29.41 Favored 'Trans proline' 0 C--N 1.361 1.202 0 O-C-N 124.49 1.784 . . . . 0.0 110.992 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' CYS . . . . . 0.419 ' HA ' HD12 ' A' ' 59' ' ' LEU . 26.3 p -81.95 1.2 36.47 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.5 1.125 . . . . 0.0 108.301 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 27.3 t-20 -71.77 -21.65 61.7 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.467 1.104 . . . . 0.0 109.278 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 8.0 pt -108.09 -15.54 9.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.441 1.088 . . . . 0.0 109.321 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.657 HD13 ' CE3' ' A' ' 42' ' ' TRP . 94.6 mt -71.22 154.44 41.67 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.516 1.135 . . . . 0.0 109.314 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -149.65 135.49 5.33 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.514 1.134 . . . . 0.0 111.009 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 4.6 mt-10 -61.0 113.65 2.66 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.514 0.773 . . . . 0.0 110.269 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -98.49 160.38 14.32 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.488 1.118 . . . . 0.0 109.331 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -66.74 154.05 41.71 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.555 1.16 . . . . 0.0 110.019 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -87.53 168.17 37.88 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.496 1.123 . . . . 0.0 111.024 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 76.07 3.52 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.458 1.767 . . . . 0.0 110.967 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -62.55 -58.32 7.97 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.502 1.127 . . . . 0.0 110.011 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 57.3 p -160.21 115.33 2.3 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.475 1.11 . . . . 0.0 110.033 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.017 0 O-C-N 124.523 1.139 . . . . 0.0 110.977 -179.965 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.987 0 N-CA-C 111.002 -0.839 . . . . 0.0 111.002 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 31.1 p -91.74 -57.85 2.61 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.507 0.769 . . . . 0.0 109.965 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.4 t -78.96 145.72 33.84 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.451 1.095 . . . . 0.0 109.978 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 84.74 106.38 0.63 Allowed Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.519 1.137 . . . . 0.0 111.004 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -158.02 106.54 2.02 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.467 0.745 . . . . 0.0 110.022 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 30.8 t 63.1 158.47 0.07 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.51 1.131 . . . . 0.0 109.956 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 170.69 -140.64 6.08 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.495 1.122 . . . . 0.0 110.995 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -86.64 155.68 20.32 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.473 0.749 . . . . 0.0 109.282 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 81.2 m-85 -144.31 171.69 13.97 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.494 1.121 . . . . 0.0 111.003 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.5 HG21 ' HB3' ' A' ' 59' ' ' LEU . 4.7 p -131.45 134.98 60.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.521 1.138 . . . . 0.0 109.29 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -98.82 125.98 44.35 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.504 1.128 . . . . 0.0 109.296 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.478 HG21 ' O ' ' A' ' 27' ' ' LEU . 47.2 mm -71.72 118.54 16.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.503 1.127 . . . . 0.0 109.349 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 72.0 mt -83.2 -21.6 33.41 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.424 1.078 . . . . 0.0 109.316 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . 0.444 ' O ' ' CG2' ' A' ' 12' ' ' ILE . 84.0 m-85 -149.44 140.13 22.64 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.442 1.089 . . . . 0.0 110.977 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 2.5 p-10 -66.0 135.49 54.76 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.508 1.13 . . . . 0.0 109.299 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . 0.616 ' CD2' HG12 ' A' ' 54' ' ' VAL . 62.3 t80 -126.71 145.42 50.6 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.509 1.13 . . . . 0.0 111.02 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 18.7 m -113.87 99.92 8.04 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.491 1.119 . . . . 0.0 110.376 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.561 ' HB2' ' C ' ' A' ' 24' ' ' LEU . . . -42.33 114.8 0.61 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.448 1.092 . . . . 0.0 109.307 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 19.5 mmm180 -73.51 -30.18 62.95 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.481 1.113 . . . . 0.0 110.312 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 63.8 m-80 -130.15 -176.57 3.98 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.528 1.143 . . . . 0.0 109.342 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -76.32 -41.16 49.4 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.502 1.126 . . . . 0.0 109.295 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 1.3 m120 -56.9 -18.49 13.45 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.485 1.116 . . . . 0.0 109.305 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 63.7 mt-10 -97.4 159.77 14.72 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.454 1.096 . . . . 0.0 110.312 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.561 ' C ' ' HB2' ' A' ' 18' ' ' ALA . 4.6 tp -116.47 139.84 50.01 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.497 1.123 . . . . 0.0 109.275 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -96.33 122.2 38.95 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.538 1.149 . . . . 0.0 110.033 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.518 HG11 ' HG ' ' A' ' 32' ' ' LEU . 16.9 m -133.04 171.76 17.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 O-C-N 124.526 1.141 . . . . 0.0 109.304 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.478 ' O ' HG21 ' A' ' 12' ' ' ILE . 12.5 mt -118.11 179.07 4.2 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.539 1.149 . . . . 0.0 109.295 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.497 ' O ' ' CB ' ' A' ' 29' ' ' ASP . 0.4 OUTLIER -82.79 140.41 33.0 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.493 1.12 . . . . 0.0 109.309 179.971 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . 0.497 ' CB ' ' O ' ' A' ' 28' ' ' LYS . 2.1 t70 81.87 -3.67 1.54 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.504 1.127 . . . . 0.0 109.272 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 7.2 mt-10 -82.59 149.79 27.25 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.5 1.125 . . . . 0.0 110.3 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 89.1 t -123.17 125.56 72.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.5 1.125 . . . . 0.0 109.32 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.518 ' HG ' HG11 ' A' ' 26' ' ' VAL . 3.0 mm? -109.93 177.73 4.63 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.46 1.1 . . . . 0.0 109.289 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . 0.421 ' HG2' ' CD2' ' A' ' 35' ' ' LEU . 5.3 tt0 -104.89 121.68 44.21 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.462 1.101 . . . . 0.0 110.339 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.676 ' HA ' HD13 ' A' ' 44' ' ' LEU . 10.0 p -78.85 132.45 32.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.511 1.132 . . . . 0.0 109.266 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.795 HD11 ' HB2' ' A' ' 45' ' ' ARG . 0.3 OUTLIER -119.86 -42.41 2.61 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.533 1.146 . . . . 0.0 109.305 179.994 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -129.1 124.04 33.76 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.52 1.137 . . . . 0.0 110.285 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -134.7 174.99 9.96 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.51 1.131 . . . . 0.0 109.28 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 89.12 9.98 66.81 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.51 1.131 . . . . 0.0 110.992 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . 0.401 ' O ' ' C ' ' A' ' 40' ' ' GLN . 0.0 OUTLIER -126.65 165.03 19.98 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.504 0.767 . . . . 0.0 110.264 -179.962 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . 0.401 ' C ' ' O ' ' A' ' 39' ' ' ARG . 0.1 OUTLIER -38.93 -68.85 0.14 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.443 1.089 . . . . 0.0 110.229 179.99 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' TRP . . . . . 0.452 ' CZ3' ' HD3' ' A' ' 55' ' ' PRO . 10.8 m0 -105.61 134.89 47.98 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 108.0 -1.111 . . . . 0.0 108.0 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' TRP . . . . . 0.702 ' CE3' HD13 ' A' ' 59' ' ' LEU . 34.0 m0 -84.06 157.21 21.87 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 107.994 -1.113 . . . . 0.0 107.994 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 0.503 ' HB2' ' CE1' ' A' ' 53' ' ' TYR . 9.8 tttp -110.53 99.81 8.73 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.531 1.144 . . . . 0.0 109.315 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.745 HD22 ' N ' ' A' ' 44' ' ' LEU . 0.6 OUTLIER -97.19 167.02 11.29 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.495 1.122 . . . . 0.0 109.302 -179.998 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . 0.795 ' HB2' HD11 ' A' ' 35' ' ' LEU . 10.2 ttp180 -132.23 132.01 42.67 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.531 1.145 . . . . 0.0 110.336 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . 0.509 ' HA ' HD12 ' A' ' 32' ' ' LEU . 84.5 p -83.73 167.05 17.52 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.477 1.11 . . . . 0.0 109.986 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 7.5 mmm180 -69.15 -8.52 46.26 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.47 1.106 . . . . 0.0 110.289 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 1.7 t -85.76 8.36 20.17 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.534 1.146 . . . . 0.0 109.997 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 74.77 13.54 82.19 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.503 1.127 . . . . 0.0 110.922 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 45.5 mm-40 -95.75 148.27 22.74 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.456 0.739 . . . . 0.0 110.334 179.938 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -134.77 129.67 34.97 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.485 1.116 . . . . 0.0 109.339 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . 0.47 ' CA ' ' HB2' ' A' ' 24' ' ' LEU . . . -150.12 161.03 28.78 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.456 1.097 . . . . 0.0 111.008 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' TYR . . . . . 0.503 ' CE1' ' HB2' ' A' ' 43' ' ' LYS . 49.4 m-85 -86.57 150.28 24.35 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.469 0.747 . . . . 0.0 110.986 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.648 ' CG2' HD23 ' A' ' 44' ' ' LEU . 0.0 OUTLIER -152.1 163.5 23.37 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.527 1.142 . . . . 0.0 109.298 -179.968 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . 0.452 ' HD3' ' CZ3' ' A' ' 41' ' ' TRP . 18.3 Cg_endo -74.97 138.41 23.08 Favored 'Trans proline' 0 C--N 1.359 1.106 0 O-C-N 124.493 1.786 . . . . 0.0 110.99 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' CYS . . . . . 0.579 ' HA ' HD12 ' A' ' 59' ' ' LEU . 31.9 p -78.39 -2.63 39.25 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.469 1.105 . . . . 0.0 108.307 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -68.35 -39.79 81.73 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.538 1.148 . . . . 0.0 109.329 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 17.5 pt -85.04 -20.52 8.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.531 1.145 . . . . 0.0 109.331 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.702 HD13 ' CE3' ' A' ' 42' ' ' TRP . 84.1 mt -64.46 164.91 10.69 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.464 1.103 . . . . 0.0 109.329 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . 0.451 ' H ' HG22 ' A' ' 10' ' ' VAL . . . -164.43 143.88 8.92 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.485 1.116 . . . . 0.0 111.019 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 5.5 mt-10 -61.35 118.13 6.53 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.511 0.771 . . . . 0.0 110.265 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -99.94 173.62 6.58 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.497 1.123 . . . . 0.0 109.27 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -72.95 156.85 38.42 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.541 1.151 . . . . 0.0 110.018 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -168.82 164.11 37.77 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.477 1.111 . . . . 0.0 111.031 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 130.53 13.39 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.538 1.81 . . . . 0.0 111.004 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -42.13 116.38 0.81 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.47 1.106 . . . . 0.0 110.003 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -119.82 -59.24 1.82 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.475 1.11 . . . . 0.0 110.015 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.984 0 O-C-N 124.485 1.116 . . . . 0.0 111.003 -179.983 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.956 0 N-CA-C 111.008 -0.837 . . . . 0.0 111.008 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 64.33 151.79 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.466 0.745 . . . . 0.0 109.942 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -115.43 148.6 39.19 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.514 1.134 . . . . 0.0 109.991 179.947 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 76.18 101.55 0.14 Allowed Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.475 1.109 . . . . 0.0 111.013 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -82.45 115.17 21.34 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.482 0.754 . . . . 0.0 109.996 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 60.8 p -142.58 117.46 9.93 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.546 1.154 . . . . 0.0 109.956 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -161.83 96.18 0.14 Allowed Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.52 1.138 . . . . 0.0 110.986 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.412 ' O ' HG12 ' A' ' 34' ' ' VAL . 0.7 OUTLIER -100.79 168.92 9.35 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.463 0.743 . . . . 0.0 109.32 179.973 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . 0.506 ' CE2' ' HG3' ' A' ' 33' ' ' GLU . 56.8 m-85 -138.98 176.45 8.68 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.471 1.107 . . . . 0.0 110.973 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.677 HG21 ' HB3' ' A' ' 59' ' ' LEU . 8.8 p -136.15 142.54 38.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.501 1.126 . . . . 0.0 109.286 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 13.3 tttt -100.61 125.17 46.98 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.472 1.107 . . . . 0.0 109.25 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.516 HD12 HG21 ' A' ' 26' ' ' VAL . 14.5 mm -72.89 128.48 35.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.468 1.105 . . . . 0.0 109.276 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 54.7 mt -91.78 -28.95 17.04 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.496 1.123 . . . . 0.0 109.301 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . 0.457 ' O ' ' CG2' ' A' ' 12' ' ' ILE . 97.0 m-85 -133.28 142.59 48.58 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.545 1.153 . . . . 0.0 110.993 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -72.83 115.0 11.6 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.476 1.11 . . . . 0.0 109.281 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . 0.558 ' CE2' HG12 ' A' ' 54' ' ' VAL . 62.0 t80 -112.2 148.33 34.31 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.475 1.109 . . . . 0.0 111.014 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.4 ' O ' ' C ' ' A' ' 18' ' ' ALA . 16.4 m -123.95 115.25 20.94 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.478 1.111 . . . . 0.0 110.415 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.4 ' C ' ' O ' ' A' ' 17' ' ' THR . . . -40.31 114.93 0.5 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.527 1.142 . . . . 0.0 109.301 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . 0.421 ' HB3' ' NH1' ' A' ' 19' ' ' ARG . 5.4 mmm180 -89.75 -14.83 33.78 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.531 1.144 . . . . 0.0 110.271 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 1.3 m-80 -142.66 -176.94 5.06 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.493 1.121 . . . . 0.0 109.292 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -71.83 -32.55 67.67 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.534 1.146 . . . . 0.0 109.309 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 15.3 m-20 -89.82 42.68 1.11 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.467 1.105 . . . . 0.0 109.308 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 19.9 mt-10 -145.35 151.91 39.04 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.489 1.118 . . . . 0.0 110.289 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.615 HD13 ' N ' ' A' ' 52' ' ' GLY . 5.0 tp -117.59 142.59 47.03 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.54 1.15 . . . . 0.0 109.326 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 1.1 m -96.97 118.96 34.54 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.473 1.108 . . . . 0.0 110.031 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.516 HG21 HD12 ' A' ' 12' ' ' ILE . 23.2 m -133.93 147.95 30.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.522 1.139 . . . . 0.0 109.328 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 5.0 mp -94.83 178.87 5.43 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.467 1.104 . . . . 0.0 109.225 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.438 ' O ' ' CB ' ' A' ' 29' ' ' ASP . 0.3 OUTLIER -82.22 137.88 34.79 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.518 1.136 . . . . 0.0 109.275 -179.989 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . 0.438 ' CB ' ' O ' ' A' ' 28' ' ' LYS . 5.7 t0 77.13 24.54 0.84 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.509 1.131 . . . . 0.0 109.33 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 11.0 mt-10 -106.6 152.15 24.11 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.515 1.134 . . . . 0.0 110.345 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.433 ' C ' HD22 ' A' ' 32' ' ' LEU . 91.0 t -123.15 125.37 71.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.511 1.132 . . . . 0.0 109.269 -179.942 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.51 HD22 ' N ' ' A' ' 32' ' ' LEU . 2.8 mm? -112.26 175.82 5.28 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.481 1.113 . . . . 0.0 109.292 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . 0.506 ' HG3' ' CE2' ' A' ' 9' ' ' TYR . 3.0 tt0 -100.52 111.93 24.23 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.508 1.13 . . . . 0.0 110.272 -179.938 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.412 HG12 ' O ' ' A' ' 8' ' ' LYS . 13.1 p -73.36 130.44 35.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.491 1.119 . . . . 0.0 109.296 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.722 HD11 ' HB2' ' A' ' 45' ' ' ARG . 5.7 mt -112.78 -50.93 2.86 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.49 1.118 . . . . 0.0 109.288 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -115.34 124.7 51.94 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.508 1.13 . . . . 0.0 110.294 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 1.9 p-10 -129.99 176.23 8.23 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.478 1.111 . . . . 0.0 109.287 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 72.46 17.29 77.69 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.528 1.143 . . . . 0.0 111.023 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -127.27 164.5 21.6 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.509 0.77 . . . . 0.0 110.277 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 27.3 mt-30 -39.76 -68.72 0.16 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.482 1.114 . . . . 0.0 110.309 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' TRP . . . . . 0.572 ' CZ3' ' HD3' ' A' ' 55' ' ' PRO . 11.6 m0 -109.81 137.87 46.99 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 0.0 108.046 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' TRP . . . . . 0.62 ' CE3' HD13 ' A' ' 59' ' ' LEU . 45.9 m0 -82.84 156.0 23.86 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.523 1.14 . . . . 0.0 107.976 -179.934 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 0.563 ' HB2' ' CE1' ' A' ' 53' ' ' TYR . 70.4 tttt -113.24 99.91 8.17 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.481 1.113 . . . . 0.0 109.286 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.795 HD23 ' CG2' ' A' ' 54' ' ' VAL . 0.4 OUTLIER -95.16 167.01 11.63 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.475 1.11 . . . . 0.0 109.261 -179.987 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . 0.722 ' HB2' HD11 ' A' ' 35' ' ' LEU . 10.7 ttp180 -136.06 120.25 17.8 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.521 1.138 . . . . 0.0 110.265 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 6.8 p -69.32 153.22 43.95 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.516 1.135 . . . . 0.0 109.959 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -54.4 -22.52 12.67 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.541 1.151 . . . . 0.0 110.308 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -69.84 -12.05 61.33 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.478 1.111 . . . . 0.0 109.997 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 102.58 -15.21 56.09 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.563 1.164 . . . . 0.0 111.04 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 2.0 mm-40 -63.64 155.35 30.08 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.52 0.776 . . . . 0.0 110.312 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . 0.407 ' C ' HD13 ' A' ' 24' ' ' LEU . . . -142.68 130.78 21.92 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.456 1.098 . . . . 0.0 109.292 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . 0.615 ' N ' HD13 ' A' ' 24' ' ' LEU . . . -150.06 164.53 29.65 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.458 1.099 . . . . 0.0 111.035 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' TYR . . . . . 0.563 ' CE1' ' HB2' ' A' ' 43' ' ' LYS . 54.0 m-85 -96.59 148.7 22.57 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.513 0.772 . . . . 0.0 110.998 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.795 ' CG2' HD23 ' A' ' 44' ' ' LEU . 0.0 OUTLIER -149.91 164.49 20.54 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.491 1.119 . . . . 0.0 109.255 -179.967 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . 0.572 ' HD3' ' CZ3' ' A' ' 41' ' ' TRP . 18.5 Cg_endo -74.97 142.32 27.82 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.513 1.796 . . . . 0.0 111.006 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' CYS . . . . . 0.62 ' HA ' HD12 ' A' ' 59' ' ' LEU . 31.9 p -78.06 -3.42 42.15 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.491 1.119 . . . . 0.0 108.284 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -66.52 -43.43 85.23 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.558 1.161 . . . . 0.0 109.266 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 8.7 pt -81.24 -26.36 10.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.47 1.106 . . . . 0.0 109.309 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.677 ' HB3' HG21 ' A' ' 10' ' ' VAL . 88.9 mt -65.92 159.43 25.63 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.464 1.103 . . . . 0.0 109.318 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . 0.538 ' O ' HG23 ' A' ' 10' ' ' VAL . . . -145.8 -144.84 4.16 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.474 1.109 . . . . 0.0 111.017 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 18.5 tt0 -119.02 140.79 49.44 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.487 0.757 . . . . 0.0 110.356 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -121.96 141.96 50.78 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.489 1.118 . . . . 0.0 109.29 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -77.82 90.71 4.08 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.528 1.143 . . . . 0.0 110.037 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -87.15 -174.74 48.98 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.501 1.125 . . . . 0.0 111.015 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 -38.66 1.51 Allowed 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.496 1.787 . . . . 0.0 110.994 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 65.49 121.09 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.516 1.135 . . . . 0.0 109.958 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 36.6 t -64.85 -59.46 4.18 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.499 1.125 . . . . 0.0 109.959 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.028 0 O-C-N 124.553 1.158 . . . . 0.0 110.989 179.997 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.014 0 N-CA-C 111.001 -0.839 . . . . 0.0 111.001 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 7.6 t -95.75 137.88 34.18 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.521 0.777 . . . . 0.0 110.005 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 66.0 p -170.06 96.31 0.27 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.519 1.137 . . . . 0.0 110.045 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 139.63 101.8 0.51 Allowed Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.49 1.119 . . . . 0.0 111.03 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 12.0 p -158.71 143.54 16.03 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.493 0.761 . . . . 0.0 109.987 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 43.1 t 64.55 74.72 0.39 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.46 1.1 . . . . 0.0 110.033 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -121.51 101.28 0.77 Allowed Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.539 1.149 . . . . 0.0 110.982 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.481 ' O ' HG12 ' A' ' 34' ' ' VAL . 0.0 OUTLIER -119.83 158.33 26.83 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.537 0.786 . . . . 0.0 109.352 179.949 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . 0.624 ' O ' ' HB3' ' A' ' 62' ' ' ALA . 91.4 m-85 -135.95 162.47 32.75 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.495 1.122 . . . . 0.0 110.998 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.491 HG21 ' HB3' ' A' ' 59' ' ' LEU . 8.8 p -121.18 137.37 55.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.473 1.108 . . . . 0.0 109.305 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -103.58 103.88 13.87 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.527 1.142 . . . . 0.0 109.287 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.422 HG21 ' O ' ' A' ' 27' ' ' LEU . 33.2 mm -46.61 149.37 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.551 1.157 . . . . 0.0 109.304 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 69.3 mt -113.38 -35.9 5.15 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.55 1.156 . . . . 0.0 109.267 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 85.0 m-85 -129.68 142.19 50.77 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.423 1.077 . . . . 0.0 111.034 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -72.08 109.42 5.86 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.558 1.161 . . . . 0.0 109.294 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . 0.488 ' CD2' HG12 ' A' ' 54' ' ' VAL . 46.4 t80 -103.27 147.93 26.46 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.474 1.109 . . . . 0.0 111.004 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.403 ' O ' ' C ' ' A' ' 18' ' ' ALA . 4.1 m -114.89 99.14 7.26 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.472 1.108 . . . . 0.0 110.393 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.696 ' HB2' ' C ' ' A' ' 24' ' ' LEU . . . -40.09 118.23 0.87 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.47 1.106 . . . . 0.0 109.306 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 17.2 mtt-85 -73.85 -30.28 62.58 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.491 1.119 . . . . 0.0 110.313 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 31.9 m-80 -143.76 -175.07 4.43 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.475 1.109 . . . . 0.0 109.299 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -66.99 -48.79 67.37 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.549 1.156 . . . . 0.0 109.3 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 5.0 p30 -47.83 -24.79 1.08 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.521 1.138 . . . . 0.0 109.314 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 65.9 mt-10 -97.98 165.04 12.1 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.469 1.105 . . . . 0.0 110.3 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.696 ' C ' ' HB2' ' A' ' 18' ' ' ALA . 5.5 tp -125.34 142.58 51.42 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.547 1.155 . . . . 0.0 109.3 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . 0.434 ' N ' ' HB2' ' A' ' 18' ' ' ALA . 0.4 OUTLIER -95.84 120.58 36.36 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.488 1.118 . . . . 0.0 110.031 179.989 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 11.2 m -133.66 146.65 31.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.523 1.139 . . . . 0.0 109.288 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.422 ' O ' HG21 ' A' ' 12' ' ' ILE . 5.8 mp -95.42 179.2 5.25 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.505 1.128 . . . . 0.0 109.308 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.484 ' O ' ' CB ' ' A' ' 29' ' ' ASP . 0.0 OUTLIER -83.05 136.23 34.56 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.52 1.138 . . . . 0.0 109.277 -179.991 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . 0.484 ' CB ' ' O ' ' A' ' 28' ' ' LYS . 1.4 t70 80.83 21.69 0.4 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.461 1.1 . . . . 0.0 109.277 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 4.6 mt-10 -97.92 159.66 14.79 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.486 1.116 . . . . 0.0 110.303 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 69.2 t -131.31 117.94 38.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.544 1.152 . . . . 0.0 109.267 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.433 HD12 ' HA ' ' A' ' 46' ' ' SER . 3.2 mm? -108.46 172.47 6.82 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.504 1.127 . . . . 0.0 109.307 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . 0.561 ' HG3' ' CE2' ' A' ' 9' ' ' TYR . 3.1 tt0 -101.16 109.07 20.9 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.491 1.119 . . . . 0.0 110.331 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.481 HG12 ' O ' ' A' ' 8' ' ' LYS . 9.8 p -70.69 133.09 32.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.499 1.124 . . . . 0.0 109.317 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.731 HD11 ' HB2' ' A' ' 45' ' ' ARG . 1.7 mt -119.18 -46.61 2.51 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.511 1.132 . . . . 0.0 109.334 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -123.27 123.98 41.96 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.505 1.128 . . . . 0.0 110.254 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 2.2 p-10 -133.39 176.45 8.51 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.497 1.123 . . . . 0.0 109.275 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 82.21 14.81 75.95 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.489 1.118 . . . . 0.0 111.0 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 6.2 mtt85 -127.73 165.52 19.91 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.489 0.758 . . . . 0.0 110.309 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 62.2 mt-30 -39.35 -63.8 0.52 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.522 1.139 . . . . 0.0 110.327 179.936 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' TRP . . . . . 0.578 ' CZ3' ' HD3' ' A' ' 55' ' ' PRO . 11.6 m0 -113.05 138.14 50.35 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.465 1.103 . . . . 0.0 108.026 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' TRP . . . . . 0.443 ' CE3' HD13 ' A' ' 59' ' ' LEU . 42.1 m0 -84.49 156.19 21.82 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.495 1.122 . . . . 0.0 107.993 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 0.568 ' HB2' ' CE1' ' A' ' 53' ' ' TYR . 5.8 tttt -112.46 99.91 8.35 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.51 1.131 . . . . 0.0 109.287 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.803 HD23 ' CG2' ' A' ' 54' ' ' VAL . 0.2 OUTLIER -98.87 164.95 12.0 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.509 1.131 . . . . 0.0 109.27 179.992 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . 0.731 ' HB2' HD11 ' A' ' 35' ' ' LEU . 38.2 ttm180 -132.68 123.9 27.2 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.481 1.113 . . . . 0.0 110.294 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . 0.433 ' HA ' HD12 ' A' ' 32' ' ' LEU . 0.9 OUTLIER -74.46 166.33 23.7 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.52 1.138 . . . . 0.0 110.022 179.975 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.19 -8.83 53.08 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.513 1.133 . . . . 0.0 110.33 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 3.8 t -85.93 11.41 11.48 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.508 1.13 . . . . 0.0 110.036 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 73.06 13.19 79.44 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.479 1.112 . . . . 0.0 111.02 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 10.5 mm100 -94.32 146.41 24.05 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.49 0.759 . . . . 0.0 110.29 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -134.82 129.06 33.92 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.488 1.118 . . . . 0.0 109.295 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . 0.447 ' N ' HD13 ' A' ' 24' ' ' LEU . . . -150.16 164.21 29.63 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.492 1.12 . . . . 0.0 111.0 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' TYR . . . . . 0.568 ' CE1' ' HB2' ' A' ' 43' ' ' LYS . 50.7 m-85 -93.78 152.48 18.9 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.511 0.771 . . . . 0.0 111.024 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.803 ' CG2' HD23 ' A' ' 44' ' ' LEU . 0.0 OUTLIER -151.89 163.01 25.0 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.516 1.135 . . . . 0.0 109.321 179.996 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . 0.578 ' HD3' ' CZ3' ' A' ' 41' ' ' TRP . 18.2 Cg_endo -75.04 145.64 31.54 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.425 1.75 . . . . 0.0 110.935 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 17.3 p -82.57 -1.13 49.82 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.504 1.128 . . . . 0.0 108.335 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -70.39 -24.1 62.89 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.495 1.122 . . . . 0.0 109.266 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 8.0 pt -104.4 -20.88 5.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.484 1.115 . . . . 0.0 109.314 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.491 ' HB3' HG21 ' A' ' 10' ' ' VAL . 73.2 mt -74.43 159.91 31.68 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.461 1.1 . . . . 0.0 109.28 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -159.72 149.41 19.07 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.467 1.104 . . . . 0.0 110.988 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -60.84 114.94 3.32 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.505 0.768 . . . . 0.0 110.332 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . 0.624 ' HB3' ' O ' ' A' ' 9' ' ' TYR . . . -81.91 118.09 22.67 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.511 1.132 . . . . 0.0 109.317 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 83.8 p -56.97 129.74 42.99 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.478 1.111 . . . . 0.0 110.002 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -174.44 -172.49 39.62 Favored Glycine 0 CA--C 1.529 0.941 0 O-C-N 124.515 1.134 . . . . 0.0 111.007 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 61.42 5.63 Favored 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.509 1.794 . . . . 0.0 111.017 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 62.9 p -137.68 169.42 17.81 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.467 1.105 . . . . 0.0 110.001 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 26.8 p -97.97 130.83 44.8 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.511 1.132 . . . . 0.0 109.967 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.964 0 O-C-N 124.51 1.131 . . . . 0.0 111.033 179.962 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.964 0 N-CA-C 111.034 -0.826 . . . . 0.0 111.034 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 80.2 p -68.21 104.31 1.79 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.488 0.758 . . . . 0.0 109.97 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 67.91 -75.07 0.07 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.499 1.124 . . . . 0.0 109.986 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 114.42 -163.93 12.13 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.496 1.123 . . . . 0.0 110.995 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 66.71 106.08 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.51 0.771 . . . . 0.0 109.98 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -168.06 79.81 0.17 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.444 1.09 . . . . 0.0 110.017 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -84.16 127.15 7.95 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.493 1.121 . . . . 0.0 110.968 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.439 ' O ' HG12 ' A' ' 34' ' ' VAL . 2.2 mmtp -116.77 158.57 23.66 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.477 0.751 . . . . 0.0 109.282 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 67.6 m-85 -133.02 175.97 8.9 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.46 1.1 . . . . 0.0 110.96 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.551 HG21 ' HB3' ' A' ' 59' ' ' LEU . 4.1 p -139.28 132.98 38.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.555 1.159 . . . . 0.0 109.277 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 10.4 tttt -97.1 116.39 29.23 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.47 1.107 . . . . 0.0 109.291 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.448 ' CG2' ' O ' ' A' ' 14' ' ' TYR . 39.1 mm -63.34 128.1 24.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.495 1.122 . . . . 0.0 109.31 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 86.5 mt -91.33 -29.24 17.24 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.544 1.152 . . . . 0.0 109.306 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . 0.448 ' O ' ' CG2' ' A' ' 12' ' ' ILE . 82.1 m-85 -137.43 144.76 42.52 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.438 1.086 . . . . 0.0 110.969 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -71.54 123.1 21.71 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.431 1.082 . . . . 0.0 109.317 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . 0.683 ' CD2' HG12 ' A' ' 54' ' ' VAL . 67.3 t80 -118.47 137.57 53.09 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.416 1.073 . . . . 0.0 111.032 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 57.9 m -104.69 103.85 13.56 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.527 1.142 . . . . 0.0 110.397 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.641 ' HB2' ' C ' ' A' ' 24' ' ' LEU . . . -45.37 114.95 0.83 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.569 1.168 . . . . 0.0 109.318 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 12.5 mmm180 -65.2 -33.69 76.59 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.503 1.127 . . . . 0.0 110.276 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 13.5 m-80 -144.63 -175.9 4.84 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.482 1.114 . . . . 0.0 109.317 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -63.01 -48.22 79.74 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.506 1.129 . . . . 0.0 109.322 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . 0.452 ' OD1' ' N ' ' A' ' 23' ' ' GLU . 30.9 p30 -47.68 -24.9 1.03 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.485 1.116 . . . . 0.0 109.279 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . 0.452 ' N ' ' OD1' ' A' ' 22' ' ' ASN . 53.5 mt-10 -99.48 152.87 19.51 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.508 1.13 . . . . 0.0 110.295 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.641 ' C ' ' HB2' ' A' ' 18' ' ' ALA . 5.4 tp -108.87 137.66 46.45 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.5 1.125 . . . . 0.0 109.35 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 8.4 p -92.12 120.58 32.87 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.495 1.122 . . . . 0.0 110.015 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.451 HG11 ' HG ' ' A' ' 32' ' ' LEU . 35.7 m -132.99 167.74 25.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.517 1.136 . . . . 0.0 109.327 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 17.8 mt -121.61 179.06 4.58 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.537 1.148 . . . . 0.0 109.303 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.46 ' O ' ' CB ' ' A' ' 29' ' ' ASP . 12.5 tttt -81.91 138.24 35.04 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.477 1.111 . . . . 0.0 109.306 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . 0.46 ' CB ' ' O ' ' A' ' 28' ' ' LYS . 3.7 m-20 78.86 23.76 0.57 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.527 1.142 . . . . 0.0 109.261 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 8.3 mt-10 -106.31 161.38 14.61 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.467 1.105 . . . . 0.0 110.309 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.428 ' C ' HD22 ' A' ' 32' ' ' LEU . 80.1 t -133.45 118.17 30.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.507 1.129 . . . . 0.0 109.308 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.552 HD22 ' N ' ' A' ' 32' ' ' LEU . 2.4 mm? -105.71 178.82 4.45 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.467 1.105 . . . . 0.0 109.301 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . 0.462 ' HG2' ' CD2' ' A' ' 35' ' ' LEU . 8.1 tt0 -107.49 120.25 41.66 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.539 1.149 . . . . 0.0 110.267 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.617 ' HA ' HD13 ' A' ' 44' ' ' LEU . 9.8 p -77.17 132.87 31.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.444 1.09 . . . . 0.0 109.277 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.917 HD11 ' HB2' ' A' ' 45' ' ' ARG . 3.5 mt -118.18 -46.85 2.59 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.499 1.124 . . . . 0.0 109.273 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -125.48 124.88 42.35 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.536 1.147 . . . . 0.0 110.315 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 1.7 p-10 -134.31 173.18 11.9 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.533 1.146 . . . . 0.0 109.274 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 96.93 -13.25 65.25 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.463 1.102 . . . . 0.0 111.038 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -107.8 165.87 11.12 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.575 0.809 . . . . 0.0 110.286 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -39.02 -80.74 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.498 1.124 . . . . 0.0 110.297 -179.935 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' TRP . . . . . 0.571 ' CZ3' ' HD3' ' A' ' 55' ' ' PRO . 11.4 m0 -89.99 138.54 31.42 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.491 1.119 . . . . 0.0 108.021 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' TRP . . . . . 0.682 ' CE3' HD13 ' A' ' 59' ' ' LEU . 25.5 m0 -91.51 156.7 17.5 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.493 1.121 . . . . 0.0 107.993 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 0.509 ' HB2' ' CE1' ' A' ' 53' ' ' TYR . 25.9 tttt -110.3 99.87 8.84 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.492 1.12 . . . . 0.0 109.337 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.736 HD22 ' N ' ' A' ' 44' ' ' LEU . 0.6 OUTLIER -95.0 166.84 11.74 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.493 1.12 . . . . 0.0 109.283 -179.954 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . 0.917 ' HB2' HD11 ' A' ' 35' ' ' LEU . 21.9 ttp180 -133.23 132.64 41.73 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.489 1.118 . . . . 0.0 110.28 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 20.7 p -84.4 168.16 15.81 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.486 1.116 . . . . 0.0 110.009 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.55 -7.24 36.68 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.436 1.085 . . . . 0.0 110.291 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -86.8 8.48 22.6 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.444 1.09 . . . . 0.0 110.03 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 74.61 14.55 81.11 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.496 1.123 . . . . 0.0 111.006 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . 0.486 ' O ' ' CG ' ' A' ' 45' ' ' ARG . 0.7 OUTLIER -94.75 154.91 17.07 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.483 0.755 . . . . 0.0 110.298 179.989 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -141.05 131.1 24.63 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.445 1.09 . . . . 0.0 109.297 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . 0.497 ' N ' HD13 ' A' ' 24' ' ' LEU . . . -149.91 165.11 29.69 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.458 1.099 . . . . 0.0 111.026 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' TYR . . . . . 0.509 ' CE1' ' HB2' ' A' ' 43' ' ' LYS . 62.3 m-85 -94.52 149.37 21.31 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.469 0.746 . . . . 0.0 111.011 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.698 ' CG2' HD23 ' A' ' 44' ' ' LEU . 0.0 OUTLIER -150.44 163.31 24.65 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.462 1.101 . . . . 0.0 109.324 179.981 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . 0.571 ' HD3' ' CZ3' ' A' ' 41' ' ' TRP . 18.2 Cg_endo -75.02 143.53 29.1 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.522 1.801 . . . . 0.0 110.993 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' CYS . . . . . 0.424 ' HA ' HD12 ' A' ' 59' ' ' LEU . 25.9 p -83.37 3.34 32.16 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.531 1.144 . . . . 0.0 108.338 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -78.67 -24.5 45.07 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.518 1.136 . . . . 0.0 109.28 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.413 ' CD1' ' HB2' ' A' ' 16' ' ' PHE . 32.0 pt -100.38 -19.92 5.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.434 1.084 . . . . 0.0 109.255 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.682 HD13 ' CE3' ' A' ' 42' ' ' TRP . 96.8 mt -66.85 172.14 4.67 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.531 1.145 . . . . 0.0 109.333 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . 0.443 ' H ' HG22 ' A' ' 10' ' ' VAL . . . -172.52 147.38 9.82 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.529 1.143 . . . . 0.0 111.016 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 1.9 pt-20 -60.86 123.61 18.06 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.524 0.779 . . . . 0.0 110.324 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -105.69 137.88 42.81 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.486 1.116 . . . . 0.0 109.309 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -124.12 104.65 8.98 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.54 1.15 . . . . 0.0 110.001 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -97.98 -170.23 32.38 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.486 1.116 . . . . 0.0 110.972 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 113.79 3.87 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.48 1.779 . . . . 0.0 111.001 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 66.6 142.32 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.498 1.124 . . . . 0.0 109.986 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 8.4 m -120.44 94.32 4.33 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.486 1.116 . . . . 0.0 110.025 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.996 0 O-C-N 124.495 1.122 . . . . 0.0 111.015 -179.957 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.988 0 N-CA-C 111.004 -0.839 . . . . 0.0 111.004 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.3 m -158.96 -58.24 0.07 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.459 0.74 . . . . 0.0 109.998 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -159.91 80.38 0.71 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.461 1.101 . . . . 0.0 109.958 -179.942 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 65.45 150.0 0.08 OUTLIER Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.503 1.127 . . . . 0.0 111.008 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.4 t -118.99 98.87 6.39 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.558 0.799 . . . . 0.0 110.053 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.4 m -175.57 155.61 1.79 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.462 1.101 . . . . 0.0 110.018 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -106.24 -151.34 19.02 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.476 1.11 . . . . 0.0 110.979 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -118.27 168.98 10.1 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.446 0.733 . . . . 0.0 109.344 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 55.0 m-85 -139.83 171.14 14.65 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.52 1.137 . . . . 0.0 111.001 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 9.7 p -136.24 139.42 45.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.44 1.088 . . . . 0.0 109.346 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.404 ' HA ' ' O ' ' A' ' 30' ' ' GLU . 3.0 tttt -110.1 111.22 22.44 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.51 1.131 . . . . 0.0 109.341 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.403 ' CG1' HD23 ' A' ' 32' ' ' LEU . 28.3 mm -52.54 145.14 2.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.462 1.101 . . . . 0.0 109.303 -179.951 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 71.1 mt -109.16 -31.64 7.51 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.511 1.132 . . . . 0.0 109.282 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 89.8 m-85 -132.23 143.79 50.18 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.502 1.126 . . . . 0.0 110.963 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 3.3 p30 -71.89 117.64 13.74 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.468 1.105 . . . . 0.0 109.286 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 76.6 t80 -116.99 155.71 28.71 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.509 1.131 . . . . 0.0 111.014 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 23.2 m -123.04 110.34 15.22 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.533 1.146 . . . . 0.0 110.453 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.645 ' HB2' ' C ' ' A' ' 24' ' ' LEU . . . -46.49 113.85 0.71 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.469 1.106 . . . . 0.0 109.266 -179.948 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 50.0 mmm-85 -66.86 -30.14 70.24 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.447 1.092 . . . . 0.0 110.287 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 33.8 m-80 -144.47 -172.8 3.88 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.47 1.107 . . . . 0.0 109.31 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -69.05 -48.17 63.51 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.52 1.137 . . . . 0.0 109.286 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . 0.405 ' O ' ' N ' ' A' ' 53' ' ' TYR . 2.1 p30 -49.66 -23.54 1.78 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.511 1.132 . . . . 0.0 109.311 179.947 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 29.8 mt-10 -99.62 149.67 23.04 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.518 1.136 . . . . 0.0 110.303 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.645 ' C ' ' HB2' ' A' ' 18' ' ' ALA . 5.1 tp -105.52 138.51 41.59 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.53 1.144 . . . . 0.0 109.289 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . 0.489 ' N ' ' HB2' ' A' ' 18' ' ' ALA . 3.1 p -92.57 116.71 29.24 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.532 1.145 . . . . 0.0 109.988 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 35.9 m -125.0 173.82 10.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.509 1.13 . . . . 0.0 109.306 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 12.7 mt -127.93 179.14 5.72 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.493 1.121 . . . . 0.0 109.343 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.44 ' HG2' ' N ' ' A' ' 29' ' ' ASP . 7.2 tttt -78.69 149.49 32.78 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.482 1.113 . . . . 0.0 109.296 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . 0.44 ' N ' ' HG2' ' A' ' 28' ' ' LYS . 1.1 m-20 60.23 39.52 19.06 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.506 1.129 . . . . 0.0 109.323 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . 0.404 ' O ' ' HA ' ' A' ' 11' ' ' LYS . 23.8 mt-10 -116.46 160.23 20.89 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.473 1.108 . . . . 0.0 110.291 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 89.7 t -130.13 120.49 49.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.497 1.123 . . . . 0.0 109.322 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.481 HD22 ' N ' ' A' ' 32' ' ' LEU . 3.0 mm? -110.75 174.64 5.77 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.457 1.098 . . . . 0.0 109.288 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . 0.451 ' HG2' ' CD2' ' A' ' 35' ' ' LEU . 8.1 tt0 -105.03 108.47 20.01 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.544 1.153 . . . . 0.0 110.317 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 13.3 p -72.86 128.26 35.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.52 1.137 . . . . 0.0 109.279 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.617 HD11 ' HB2' ' A' ' 45' ' ' ARG . 0.3 OUTLIER -110.83 -43.61 3.77 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.485 1.115 . . . . 0.0 109.29 179.97 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 4.4 mt-10 -129.47 128.66 43.35 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.508 1.13 . . . . 0.0 110.274 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 2.1 p-10 -137.72 171.99 13.62 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.5 1.125 . . . . 0.0 109.243 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 97.81 -4.58 61.39 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.491 1.12 . . . . 0.0 111.005 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -110.73 163.44 13.76 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.532 0.784 . . . . 0.0 110.312 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 4.0 pt20 -42.09 -53.17 4.05 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.521 1.138 . . . . 0.0 110.335 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' TRP . . . . . 0.509 ' CE3' ' C ' ' A' ' 54' ' ' VAL . 14.1 m95 -115.55 135.44 54.08 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.559 1.162 . . . . 0.0 107.973 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' TRP . . . . . 0.831 ' CE3' HD13 ' A' ' 59' ' ' LEU . 41.8 m0 -88.05 162.14 16.96 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.514 1.134 . . . . 0.0 108.008 179.949 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 0.484 ' HB2' ' CE1' ' A' ' 53' ' ' TYR . 32.2 tttt -116.9 99.93 7.42 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.528 1.143 . . . . 0.0 109.278 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.785 HD23 ' CG2' ' A' ' 54' ' ' VAL . 0.1 OUTLIER -99.33 166.7 11.07 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.499 1.124 . . . . 0.0 109.274 179.992 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . 0.617 ' HB2' HD11 ' A' ' 35' ' ' LEU . 17.8 ttp180 -135.38 125.73 26.54 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.558 1.161 . . . . 0.0 110.285 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 36.6 p -76.22 167.48 21.78 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.503 1.127 . . . . 0.0 110.023 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.37 -9.09 51.87 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.539 1.15 . . . . 0.0 110.288 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -84.49 7.98 18.03 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.538 1.149 . . . . 0.0 110.044 179.929 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 75.06 12.46 83.39 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.462 1.102 . . . . 0.0 110.977 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 6.0 mt-30 -93.05 149.18 21.4 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.54 0.788 . . . . 0.0 110.29 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -135.35 130.28 34.73 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.49 1.119 . . . . 0.0 109.315 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . 0.455 ' CA ' ' HB2' ' A' ' 24' ' ' LEU . . . -150.31 163.87 29.61 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.493 1.121 . . . . 0.0 111.014 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' TYR . . . . . 0.484 ' CE1' ' HB2' ' A' ' 43' ' ' LYS . 49.2 m-85 -94.82 149.16 21.54 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.488 0.758 . . . . 0.0 110.964 -179.943 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.785 ' CG2' HD23 ' A' ' 44' ' ' LEU . 0.0 OUTLIER -150.49 164.62 19.81 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.519 1.137 . . . . 0.0 109.251 -179.988 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . 0.477 ' HD3' ' CZ3' ' A' ' 41' ' ' TRP . 18.0 Cg_endo -75.08 146.96 33.0 Favored 'Trans proline' 0 C--N 1.361 1.202 0 O-C-N 124.468 1.773 . . . . 0.0 110.982 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 20.8 p -85.25 -1.89 57.44 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.502 1.127 . . . . 0.0 108.282 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 1.6 m-20 -71.67 -22.0 61.73 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.486 1.116 . . . . 0.0 109.28 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 17.2 pt -104.22 -22.02 5.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.504 1.128 . . . . 0.0 109.285 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.831 HD13 ' CE3' ' A' ' 42' ' ' TRP . 87.9 mt -66.03 168.36 8.42 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.493 1.121 . . . . 0.0 109.318 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -168.5 153.01 21.66 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.501 1.126 . . . . 0.0 110.982 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 2.0 pm0 -60.99 148.78 38.89 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.545 0.791 . . . . 0.0 110.293 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -125.24 133.02 52.86 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.479 1.112 . . . . 0.0 109.272 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 4.5 m -93.9 -50.35 5.38 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.482 1.113 . . . . 0.0 109.965 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 126.8 167.7 12.42 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.456 1.097 . . . . 0.0 111.023 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 -34.01 4.18 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.492 1.785 . . . . 0.0 110.994 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 40.7 t -83.39 138.0 33.69 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.539 1.149 . . . . 0.0 109.996 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 33.8 m 56.79 81.09 0.14 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.49 1.119 . . . . 0.0 109.978 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.007 0 O-C-N 124.427 1.08 . . . . 0.0 111.02 179.984 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.981 0 N-CA-C 111.022 -0.831 . . . . 0.0 111.022 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -168.04 163.91 13.59 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.446 0.733 . . . . 0.0 110.028 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 68.2 m -66.69 153.69 42.56 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.502 1.126 . . . . 0.0 109.973 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -96.49 -151.73 28.28 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.467 1.104 . . . . 0.0 111.018 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 49.98 96.74 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.51 0.771 . . . . 0.0 109.954 179.94 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -45.72 123.81 4.65 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.558 1.161 . . . . 0.0 110.002 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -37.9 152.46 0.03 OUTLIER Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.523 1.139 . . . . 0.0 111.008 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -102.86 157.55 16.89 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.465 0.744 . . . . 0.0 109.277 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 99.1 m-85 -143.58 172.92 12.13 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.483 1.115 . . . . 0.0 110.961 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 8.1 p -132.17 142.96 41.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.452 1.095 . . . . 0.0 109.277 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -104.9 123.16 47.25 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.551 1.157 . . . . 0.0 109.242 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.688 HG21 HG23 ' A' ' 26' ' ' VAL . 13.5 mm -74.66 114.24 14.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.491 1.119 . . . . 0.0 109.268 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 40.4 mt -81.19 -28.64 34.85 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.481 1.113 . . . . 0.0 109.345 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . 0.606 ' O ' HG22 ' A' ' 12' ' ' ILE . 92.8 m-85 -131.82 143.24 50.05 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.514 1.134 . . . . 0.0 111.016 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -73.96 110.9 8.62 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.514 1.134 . . . . 0.0 109.287 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . 0.62 ' CE2' HG12 ' A' ' 54' ' ' VAL . 80.6 t80 -101.79 146.45 27.77 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.536 1.148 . . . . 0.0 110.974 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 54.2 m -121.04 117.38 27.09 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.471 1.107 . . . . 0.0 110.381 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -48.49 113.63 0.8 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.492 1.12 . . . . 0.0 109.286 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 6.4 mtp180 -100.45 3.27 42.89 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.463 1.102 . . . . 0.0 110.323 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 4.2 m-80 -154.02 -179.56 7.98 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.476 1.11 . . . . 0.0 109.286 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -77.75 -33.56 52.78 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.472 1.108 . . . . 0.0 109.304 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 62.1 m-20 -89.87 43.19 1.13 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.505 1.128 . . . . 0.0 109.296 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 38.0 mt-10 -147.5 144.11 28.32 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.474 1.109 . . . . 0.0 110.291 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.53 HD13 ' N ' ' A' ' 52' ' ' GLY . 6.3 tp -105.79 148.42 27.53 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.512 1.132 . . . . 0.0 109.315 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 14.1 p -102.1 123.04 45.27 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.505 1.128 . . . . 0.0 110.021 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.688 HG23 HG21 ' A' ' 12' ' ' ILE . 29.0 m -135.8 161.23 38.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.494 1.121 . . . . 0.0 109.307 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 2.1 mm? -109.04 178.67 4.39 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.478 1.112 . . . . 0.0 109.287 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.415 ' O ' ' CB ' ' A' ' 29' ' ' ASP . 1.2 tttt -83.45 138.87 33.27 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.49 1.119 . . . . 0.0 109.343 179.937 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . 0.415 ' CB ' ' O ' ' A' ' 28' ' ' LYS . 0.8 OUTLIER 77.02 21.82 1.09 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.521 1.138 . . . . 0.0 109.29 179.994 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 14.4 mt-10 -103.65 155.41 18.58 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.51 1.131 . . . . 0.0 110.25 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 68.9 t -126.03 111.46 26.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.461 1.101 . . . . 0.0 109.304 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.419 HD13 ' HA ' ' A' ' 32' ' ' LEU . 3.0 mm? -100.72 171.38 7.73 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.509 1.13 . . . . 0.0 109.286 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 3.0 tt0 -96.42 114.04 25.68 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.124 . . . . 0.0 110.295 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.41 ' HA ' ' CD1' ' A' ' 44' ' ' LEU . 12.5 p -74.5 133.35 31.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.48 1.112 . . . . 0.0 109.286 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.799 HD11 ' HB2' ' A' ' 45' ' ' ARG . 13.5 mt -115.69 -50.21 2.71 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.556 1.16 . . . . 0.0 109.313 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -117.62 125.45 50.78 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.525 1.141 . . . . 0.0 110.315 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 1.9 p-10 -132.87 174.73 10.02 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.501 1.126 . . . . 0.0 109.28 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 75.27 14.99 81.42 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.504 1.127 . . . . 0.0 110.971 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . 0.402 ' O ' ' C ' ' A' ' 40' ' ' GLN . 3.6 mtt180 -128.02 166.14 18.95 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.519 0.776 . . . . 0.0 110.301 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . 0.402 ' C ' ' O ' ' A' ' 39' ' ' ARG . 16.2 mt-30 -38.59 -69.66 0.12 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.501 1.126 . . . . 0.0 110.284 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' TRP . . . . . 0.586 ' CZ3' ' HD3' ' A' ' 55' ' ' PRO . 12.2 m0 -110.78 136.54 49.68 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 107.954 -1.128 . . . . 0.0 107.954 -179.95 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' TRP . . . . . 0.503 ' CE3' HD13 ' A' ' 59' ' ' LEU . 40.9 m0 -83.42 157.13 22.59 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.486 1.116 . . . . 0.0 107.99 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 0.568 ' HB2' ' CE1' ' A' ' 53' ' ' TYR . 60.2 tttt -111.55 99.78 8.46 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.547 1.154 . . . . 0.0 109.283 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.831 HD23 ' CG2' ' A' ' 54' ' ' VAL . 0.4 OUTLIER -94.2 167.03 11.82 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.47 1.106 . . . . 0.0 109.27 179.984 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . 0.799 ' HB2' HD11 ' A' ' 35' ' ' LEU . 29.6 ttm-85 -145.71 133.16 20.75 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.484 1.115 . . . . 0.0 110.35 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 13.8 t -91.29 170.44 9.99 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.465 1.103 . . . . 0.0 110.016 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.54 -10.28 57.47 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.462 1.101 . . . . 0.0 110.329 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -79.97 1.91 25.61 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.502 1.126 . . . . 0.0 110.029 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 77.7 17.46 78.8 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.493 1.121 . . . . 0.0 111.011 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . 0.44 ' O ' ' CG ' ' A' ' 45' ' ' ARG . 35.8 mm-40 -94.95 145.97 24.56 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.501 0.766 . . . . 0.0 110.317 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . 0.429 ' CA ' HD13 ' A' ' 24' ' ' LEU . . . -140.52 129.01 22.71 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.505 1.128 . . . . 0.0 109.287 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . 0.53 ' N ' HD13 ' A' ' 24' ' ' LEU . . . -150.29 168.2 30.22 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.498 1.124 . . . . 0.0 111.019 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' TYR . . . . . 0.568 ' CE1' ' HB2' ' A' ' 43' ' ' LYS . 53.9 m-85 -102.13 139.05 38.27 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.463 0.743 . . . . 0.0 111.034 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.831 ' CG2' HD23 ' A' ' 44' ' ' LEU . 0.0 OUTLIER -137.58 164.86 38.4 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.464 1.103 . . . . 0.0 109.305 179.984 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . 0.586 ' HD3' ' CZ3' ' A' ' 41' ' ' TRP . 18.3 Cg_endo -75.0 147.58 34.1 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.479 1.779 . . . . 0.0 111.002 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 26.5 p -85.86 6.02 30.15 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.532 1.145 . . . . 0.0 108.278 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -77.87 -26.18 49.11 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.514 1.134 . . . . 0.0 109.312 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.469 HD12 ' HB2' ' A' ' 16' ' ' PHE . 15.3 pt -102.54 -22.26 4.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.465 1.103 . . . . 0.0 109.325 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.503 HD13 ' CE3' ' A' ' 42' ' ' TRP . 78.3 mt -65.27 163.29 15.64 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.526 1.141 . . . . 0.0 109.327 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -168.99 160.45 33.9 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.504 1.127 . . . . 0.0 111.005 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -64.31 132.73 51.05 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.535 0.785 . . . . 0.0 110.239 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -92.56 124.04 36.3 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.443 1.089 . . . . 0.0 109.323 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 20.3 t -143.21 82.07 1.74 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.479 1.112 . . . . 0.0 110.016 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -80.19 161.97 45.74 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.504 1.128 . . . . 0.0 110.96 -179.936 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 127.83 11.0 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.504 1.791 . . . . 0.0 111.032 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 20.9 t 59.25 164.39 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.503 1.127 . . . . 0.0 110.072 -179.918 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 59.22 111.77 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.457 1.098 . . . . 0.0 109.975 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.996 0 O-C-N 124.546 1.154 . . . . 0.0 110.997 179.969 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.98 0 N-CA-C 110.972 -0.851 . . . . 0.0 110.972 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 10.5 t -134.19 80.22 1.85 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.499 0.764 . . . . 0.0 109.99 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 75.7 m 39.75 88.67 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.524 1.14 . . . . 0.0 110.037 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 171.1 65.32 0.04 OUTLIER Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.513 1.133 . . . . 0.0 110.996 -179.945 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -134.86 121.15 20.2 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.542 0.789 . . . . 0.0 109.977 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 94.5 p -169.3 89.68 0.2 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.579 1.175 . . . . 0.0 109.992 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -87.87 96.69 2.21 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.503 1.127 . . . . 0.0 110.998 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 3.9 ttpt -103.92 163.75 12.16 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.492 0.76 . . . . 0.0 109.325 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 95.5 m-85 -145.9 168.25 21.28 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.453 1.096 . . . . 0.0 110.976 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.535 HG23 ' O ' ' A' ' 60' ' ' GLY . 6.0 p -137.63 140.68 40.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.527 1.142 . . . . 0.0 109.35 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -99.47 123.82 44.07 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.469 1.106 . . . . 0.0 109.285 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.502 ' CG2' ' O ' ' A' ' 14' ' ' TYR . 46.6 mm -69.98 109.1 2.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.545 1.153 . . . . 0.0 109.309 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 67.5 mt -75.34 -24.27 57.33 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.521 1.138 . . . . 0.0 109.244 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . 0.502 ' O ' ' CG2' ' A' ' 12' ' ' ILE . 88.5 m-85 -143.45 138.75 29.51 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.524 1.14 . . . . 0.0 110.969 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 7.3 p30 -65.96 138.19 57.66 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.491 1.119 . . . . 0.0 109.264 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . 0.438 ' CD2' HG12 ' A' ' 54' ' ' VAL . 74.7 t80 -131.84 130.02 41.18 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.468 1.105 . . . . 0.0 110.996 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 54.7 m -100.63 104.11 15.42 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.51 1.131 . . . . 0.0 110.379 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.649 ' HB2' ' C ' ' A' ' 24' ' ' LEU . . . -50.04 113.89 0.96 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.539 1.149 . . . . 0.0 109.245 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 12.6 mtt-85 -72.18 -29.25 63.81 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.46 1.1 . . . . 0.0 110.301 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 53.2 m-80 -136.46 -178.6 5.24 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.556 1.16 . . . . 0.0 109.272 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -68.27 -46.26 70.88 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.485 1.116 . . . . 0.0 109.295 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 2.5 p30 -49.4 -30.93 8.61 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.455 1.097 . . . . 0.0 109.316 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 55.3 mt-10 -91.75 146.83 23.45 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.121 . . . . 0.0 110.293 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.649 ' C ' ' HB2' ' A' ' 18' ' ' ALA . 4.5 tp -102.16 142.36 33.54 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.505 1.128 . . . . 0.0 109.286 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 2.4 p -97.75 114.61 26.65 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.513 1.133 . . . . 0.0 109.988 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.424 HG11 ' HG ' ' A' ' 32' ' ' LEU . 31.2 m -131.4 161.93 40.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.551 1.157 . . . . 0.0 109.264 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.481 ' O ' HG21 ' A' ' 12' ' ' ILE . 9.6 mt -108.18 179.05 4.32 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.454 1.096 . . . . 0.0 109.3 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.515 ' O ' ' CB ' ' A' ' 29' ' ' ASP . 27.5 ttmt -85.68 141.12 29.98 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.507 1.129 . . . . 0.0 109.333 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . 0.515 ' CB ' ' O ' ' A' ' 28' ' ' LYS . 3.8 m-20 83.48 -6.95 1.15 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.519 1.137 . . . . 0.0 109.307 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . 0.451 ' OE2' ' CB ' ' A' ' 27' ' ' LEU . 0.2 OUTLIER -69.06 167.31 16.25 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.504 1.127 . . . . 0.0 110.281 -179.97 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 55.4 t -134.88 113.14 15.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.519 1.137 . . . . 0.0 109.285 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.495 HD23 ' CG1' ' A' ' 12' ' ' ILE . 3.0 mm? -108.14 171.24 7.52 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.487 1.117 . . . . 0.0 109.285 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 4.7 tt0 -107.08 132.66 52.74 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.517 1.136 . . . . 0.0 110.302 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 8.6 p -91.31 130.9 39.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.497 1.123 . . . . 0.0 109.317 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.644 HD11 ' HB2' ' A' ' 45' ' ' ARG . 0.1 OUTLIER -116.17 -45.19 2.85 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.511 1.132 . . . . 0.0 109.278 -179.995 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 5.7 mt-10 -122.47 123.85 42.25 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.49 1.119 . . . . 0.0 110.299 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 1.1 p-10 -129.36 177.88 6.86 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.481 1.113 . . . . 0.0 109.303 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 83.21 15.66 71.37 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.44 1.088 . . . . 0.0 110.992 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -127.12 159.59 33.77 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.464 0.744 . . . . 0.0 110.28 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 31.0 mt-30 -40.93 -63.15 0.7 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.501 1.125 . . . . 0.0 110.312 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 9.8 m95 -106.51 133.18 51.59 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 107.982 -1.118 . . . . 0.0 107.982 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' TRP . . . . . 0.759 ' CE3' HD13 ' A' ' 59' ' ' LEU . 46.3 m0 -80.9 148.79 29.72 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.475 1.109 . . . . 0.0 108.013 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 23.7 tttt -104.61 99.74 9.41 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.534 1.146 . . . . 0.0 109.33 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.771 HD22 ' N ' ' A' ' 44' ' ' LEU . 0.4 OUTLIER -96.27 167.09 11.4 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.469 1.106 . . . . 0.0 109.33 179.989 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . 0.644 ' HB2' HD11 ' A' ' 35' ' ' LEU . 28.9 ttm180 -146.81 121.35 9.73 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.464 1.102 . . . . 0.0 110.258 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 5.8 t -75.23 169.64 17.63 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.531 1.145 . . . . 0.0 110.0 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.75 -12.49 61.52 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.482 1.114 . . . . 0.0 110.3 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 3.8 m -73.62 -23.55 59.91 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.51 1.132 . . . . 0.0 110.007 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 107.0 1.38 36.12 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.5 1.125 . . . . 0.0 111.034 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . 0.402 ' O ' ' HA ' ' A' ' 45' ' ' ARG . 12.8 mt-30 -81.15 145.09 31.2 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.517 0.775 . . . . 0.0 110.313 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . 0.425 ' CA ' HD13 ' A' ' 24' ' ' LEU . . . -138.08 130.12 28.65 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.54 1.15 . . . . 0.0 109.273 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . 0.526 ' N ' HD13 ' A' ' 24' ' ' LEU . . . -150.38 172.35 30.18 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.526 1.141 . . . . 0.0 110.989 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 35.3 m-85 -103.13 132.55 49.31 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.489 0.758 . . . . 0.0 111.002 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.755 ' CG2' HD23 ' A' ' 44' ' ' LEU . 0.0 OUTLIER -133.54 162.69 56.12 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.509 1.131 . . . . 0.0 109.329 179.967 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 144.07 29.92 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.558 1.82 . . . . 0.0 110.983 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' CYS . . . . . 0.543 ' HA ' HD12 ' A' ' 59' ' ' LEU . 44.6 t -82.59 -0.1 45.36 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.536 1.148 . . . . 0.0 108.329 179.946 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 9.0 m-20 -72.24 -17.51 61.9 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 0.0 109.284 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 18.5 pt -111.94 -12.83 11.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.508 1.13 . . . . 0.0 109.331 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.759 HD13 ' CE3' ' A' ' 42' ' ' TRP . 88.2 mt -73.85 151.47 40.49 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.478 1.111 . . . . 0.0 109.299 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . 0.535 ' O ' HG23 ' A' ' 10' ' ' VAL . . . -137.62 -148.55 5.42 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.508 1.13 . . . . 0.0 110.981 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . 0.436 ' OE1' ' N ' ' A' ' 62' ' ' ALA . 3.2 tp10 -119.77 141.55 49.37 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.468 0.746 . . . . 0.0 110.272 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . 0.436 ' N ' ' OE1' ' A' ' 61' ' ' GLU . . . -123.0 127.28 48.59 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.448 1.092 . . . . 0.0 109.268 -179.945 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 65.9 p -102.64 137.99 40.13 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.472 1.107 . . . . 0.0 110.008 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -113.34 -167.96 16.8 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.56 1.162 . . . . 0.0 110.982 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.06 145.88 31.77 Favored 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.479 1.779 . . . . 0.0 110.984 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 27.1 p -159.13 161.75 36.36 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.522 1.139 . . . . 0.0 110.025 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 3.1 m -62.68 125.03 22.57 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.545 1.153 . . . . 0.0 110.028 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.977 0 O-C-N 124.554 1.159 . . . . 0.0 111.004 -179.999 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.017 0 N-CA-C 110.985 -0.846 . . . . 0.0 110.985 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 18.0 m -84.71 147.25 27.0 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.525 0.78 . . . . 0.0 109.98 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.3 t -109.24 78.11 1.11 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.455 1.097 . . . . 0.0 110.003 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -96.85 -76.81 1.32 Allowed Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.476 1.11 . . . . 0.0 110.985 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 96.1 p -103.12 146.02 29.03 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.533 0.784 . . . . 0.0 109.986 -179.947 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 7.7 t -106.76 106.26 16.7 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.445 1.091 . . . . 0.0 110.051 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -65.0 151.83 51.31 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.512 1.133 . . . . 0.0 111.045 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -122.15 155.39 35.84 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.483 0.754 . . . . 0.0 109.32 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 47.8 m-85 -145.81 176.52 9.6 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.485 1.116 . . . . 0.0 110.993 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.63 HG21 ' HB3' ' A' ' 59' ' ' LEU . 7.7 p -135.76 141.75 41.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.434 1.084 . . . . 0.0 109.315 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.504 ' CE ' ' HA ' ' A' ' 29' ' ' ASP . 13.4 tptm -101.29 114.92 29.35 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.488 1.118 . . . . 0.0 109.291 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 9.5 mm -64.9 139.89 20.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.536 1.148 . . . . 0.0 109.277 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 53.4 mt -108.24 -20.93 12.98 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.538 1.148 . . . . 0.0 109.267 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 72.0 m-85 -140.42 137.92 34.35 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.469 1.106 . . . . 0.0 111.022 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -71.26 114.36 9.24 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.53 1.144 . . . . 0.0 109.326 -179.953 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . 0.6 ' CE2' HG12 ' A' ' 54' ' ' VAL . 74.4 t80 -105.72 145.48 31.04 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.537 1.148 . . . . 0.0 110.963 -179.945 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 47.8 m -118.13 99.19 6.72 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.491 1.12 . . . . 0.0 110.419 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -40.54 114.79 0.49 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.531 1.144 . . . . 0.0 109.289 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -95.5 -13.93 24.11 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.487 1.117 . . . . 0.0 110.29 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 1.9 m120 -122.43 175.24 6.55 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.522 1.139 . . . . 0.0 109.294 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -80.76 -27.55 36.74 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.503 1.127 . . . . 0.0 109.325 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 43.0 m-20 -92.94 40.07 1.05 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.121 . . . . 0.0 109.316 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 56.4 mt-10 -143.03 156.33 44.81 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.49 1.119 . . . . 0.0 110.325 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.446 ' HB2' ' CA ' ' A' ' 52' ' ' GLY . 6.9 tp -117.25 143.78 45.53 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.494 1.121 . . . . 0.0 109.276 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 12.8 p -98.48 122.2 41.37 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.458 1.099 . . . . 0.0 110.006 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.548 HG11 ' HG ' ' A' ' 32' ' ' LEU . 29.4 m -133.87 148.53 30.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.444 1.09 . . . . 0.0 109.314 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 5.2 mp -93.13 179.07 5.54 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.478 1.111 . . . . 0.0 109.307 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.449 ' O ' ' CB ' ' A' ' 29' ' ' ASP . 0.0 OUTLIER -83.95 137.54 33.58 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.489 1.118 . . . . 0.0 109.29 179.989 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . 0.504 ' HA ' ' CE ' ' A' ' 11' ' ' LYS . 0.5 OUTLIER 77.86 18.13 1.25 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.488 1.117 . . . . 0.0 109.317 -179.973 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -97.19 163.44 12.91 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.531 1.144 . . . . 0.0 110.311 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.603 ' C ' HD22 ' A' ' 32' ' ' LEU . 73.3 t -132.77 126.56 54.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.475 1.109 . . . . 0.0 109.314 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.603 HD22 ' C ' ' A' ' 31' ' ' VAL . 2.4 mm? -115.67 178.49 4.29 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.494 1.121 . . . . 0.0 109.308 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -101.41 111.98 24.37 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.507 1.129 . . . . 0.0 110.302 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 7.5 p -76.01 126.53 36.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.514 1.134 . . . . 0.0 109.298 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.646 HD11 ' HB2' ' A' ' 45' ' ' ARG . 0.5 OUTLIER -113.42 -39.83 4.01 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.527 1.142 . . . . 0.0 109.278 -179.978 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 11.4 mm-40 -129.59 124.92 34.97 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.539 1.15 . . . . 0.0 110.334 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 4.7 p-10 -136.22 173.62 11.51 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.463 1.102 . . . . 0.0 109.271 -179.944 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 90.09 -11.29 71.29 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.5 1.125 . . . . 0.0 111.054 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . 0.412 ' O ' ' C ' ' A' ' 40' ' ' GLN . 0.1 OUTLIER -103.91 166.16 10.59 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.476 0.751 . . . . 0.0 110.255 -179.979 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . 0.412 ' C ' ' O ' ' A' ' 39' ' ' ARG . 0.0 OUTLIER -38.24 -72.55 0.06 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.507 1.13 . . . . 0.0 110.287 -179.993 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' TRP . . . . . 0.579 ' CZ3' ' HD3' ' A' ' 55' ' ' PRO . 11.7 m0 -102.92 136.83 42.01 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 107.995 -1.113 . . . . 0.0 107.995 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' TRP . . . . . 0.753 ' CE3' HD13 ' A' ' 59' ' ' LEU . 38.7 m0 -84.05 162.46 20.34 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.514 1.134 . . . . 0.0 108.065 179.943 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 0.573 ' HB2' ' CE1' ' A' ' 53' ' ' TYR . 22.0 tttt -118.04 99.97 7.24 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.476 1.11 . . . . 0.0 109.275 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.765 HD23 ' CG2' ' A' ' 54' ' ' VAL . 0.2 OUTLIER -96.93 166.61 11.53 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.488 1.117 . . . . 0.0 109.299 179.994 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . 0.646 ' HB2' HD11 ' A' ' 35' ' ' LEU . 45.3 ttp85 -134.07 120.03 19.68 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.499 1.124 . . . . 0.0 110.352 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . 0.55 ' HA ' HD12 ' A' ' 32' ' ' LEU . 4.2 p -67.88 164.19 20.3 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.491 1.119 . . . . 0.0 110.008 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.3 -16.44 63.56 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.481 1.113 . . . . 0.0 110.336 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 1.1 t -73.15 -20.84 60.83 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.489 1.118 . . . . 0.0 109.994 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 106.15 14.39 20.72 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.473 1.108 . . . . 0.0 110.996 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 12.0 mm100 -99.59 138.01 37.28 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.446 0.733 . . . . 0.0 110.316 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -122.54 130.33 52.91 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.525 1.141 . . . . 0.0 109.275 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . 0.446 ' CA ' ' HB2' ' A' ' 24' ' ' LEU . . . -150.12 163.12 29.4 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.524 1.14 . . . . 0.0 111.033 179.946 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' TYR . . . . . 0.573 ' CE1' ' HB2' ' A' ' 43' ' ' LYS . 56.8 m-85 -93.51 151.26 19.83 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.555 0.797 . . . . 0.0 111.025 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.765 ' CG2' HD23 ' A' ' 44' ' ' LEU . 0.0 OUTLIER -151.44 164.08 21.45 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.533 1.146 . . . . 0.0 109.25 -179.968 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . 0.579 ' HD3' ' CZ3' ' A' ' 41' ' ' TRP . 18.4 Cg_endo -74.99 146.95 33.32 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.463 1.77 . . . . 0.0 111.031 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 30.8 p -84.76 2.17 43.3 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.519 1.137 . . . . 0.0 108.288 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 51.6 t30 -73.79 -19.02 60.89 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.501 1.126 . . . . 0.0 109.306 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 10.3 pt -109.11 -17.22 8.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.49 1.119 . . . . 0.0 109.349 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.753 HD13 ' CE3' ' A' ' 42' ' ' TRP . 92.2 mt -72.03 156.27 39.41 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.525 1.14 . . . . 0.0 109.323 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . 0.493 ' O ' HG23 ' A' ' 10' ' ' VAL . . . -144.5 -153.01 5.75 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.545 1.153 . . . . 0.0 110.986 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 21.1 tt0 -109.9 140.51 43.79 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.515 0.773 . . . . 0.0 110.299 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -112.21 144.49 41.51 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.47 1.106 . . . . 0.0 109.3 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 23.3 t -110.53 -53.6 2.67 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.487 1.117 . . . . 0.0 109.97 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 178.92 171.79 42.53 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.565 1.166 . . . . 0.0 111.018 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 60.87 5.54 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.479 1.778 . . . . 0.0 110.986 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 66.07 92.21 0.08 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.464 1.103 . . . . 0.0 109.983 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 82.9 p -158.7 96.26 1.36 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.487 1.117 . . . . 0.0 110.029 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.989 0 O-C-N 124.501 1.125 . . . . 0.0 110.988 -179.945 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.968 0 N-CA-C 110.989 -0.844 . . . . 0.0 110.989 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -67.38 -58.59 4.49 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.483 0.754 . . . . 0.0 109.98 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 64.83 122.03 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.444 1.09 . . . . 0.0 109.972 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 80.54 126.09 0.66 Allowed Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.527 1.142 . . . . 0.0 111.017 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 83.8 p -134.73 116.82 15.33 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.502 0.766 . . . . 0.0 109.986 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 21.7 t -88.27 110.67 20.93 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.469 1.106 . . . . 0.0 109.989 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -149.18 -169.12 15.4 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.492 1.12 . . . . 0.0 110.981 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.515 ' HD3' HG11 ' A' ' 34' ' ' VAL . 3.4 tttt -101.17 148.78 24.69 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.544 0.79 . . . . 0.0 109.304 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . 0.506 ' CE1' ' HG2' ' A' ' 33' ' ' GLU . 72.3 m-85 -141.74 157.81 44.58 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.559 1.162 . . . . 0.0 111.017 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.614 HG21 ' HB3' ' A' ' 59' ' ' LEU . 8.9 p -121.8 140.33 46.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.482 1.114 . . . . 0.0 109.256 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.41 ' CE ' ' HA ' ' A' ' 29' ' ' ASP . 4.2 tttt -105.17 104.2 13.89 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.496 1.122 . . . . 0.0 109.31 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.447 HG21 ' O ' ' A' ' 27' ' ' LEU . 39.7 mm -44.36 143.99 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.52 1.137 . . . . 0.0 109.309 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 77.3 mt -108.89 -38.68 5.53 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.49 1.119 . . . . 0.0 109.306 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 82.2 m-85 -128.33 138.22 52.28 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.484 1.115 . . . . 0.0 111.013 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -62.32 108.46 1.1 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.495 1.122 . . . . 0.0 109.329 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . 0.648 ' CE2' HG12 ' A' ' 54' ' ' VAL . 63.7 t80 -108.69 136.32 48.47 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.47 1.106 . . . . 0.0 110.975 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 20.0 m -112.72 127.7 56.21 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.471 1.107 . . . . 0.0 110.413 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -58.58 113.38 1.98 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.527 1.142 . . . . 0.0 109.302 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -104.25 10.11 35.77 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.522 1.139 . . . . 0.0 110.312 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 4.9 m-80 -155.04 175.94 13.18 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.501 1.125 . . . . 0.0 109.301 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -73.2 -37.15 66.57 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.439 1.087 . . . . 0.0 109.312 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 80.2 m-20 -89.8 45.81 1.31 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.515 1.134 . . . . 0.0 109.271 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 50.7 mt-10 -146.35 147.87 31.77 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.433 1.083 . . . . 0.0 110.288 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.548 HD13 ' N ' ' A' ' 52' ' ' GLY . 12.9 tp -109.87 151.01 27.57 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.479 1.112 . . . . 0.0 109.345 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 3.0 p -105.68 114.89 29.32 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.515 1.135 . . . . 0.0 109.993 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 34.5 m -128.8 176.6 7.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.466 1.104 . . . . 0.0 109.275 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.447 ' O ' HG21 ' A' ' 12' ' ' ILE . 9.7 mt -127.52 179.39 5.52 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.498 1.124 . . . . 0.0 109.29 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.422 ' HG2' ' N ' ' A' ' 29' ' ' ASP . 1.7 ttmt -82.02 143.12 31.78 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.524 1.14 . . . . 0.0 109.291 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . 0.422 ' N ' ' HG2' ' A' ' 28' ' ' LYS . 0.1 OUTLIER 71.0 27.39 3.37 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.535 1.147 . . . . 0.0 109.335 -179.968 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 10.8 mt-10 -107.75 161.94 14.44 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.502 1.126 . . . . 0.0 110.319 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 99.1 t -134.05 118.04 27.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.549 1.156 . . . . 0.0 109.269 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.481 HD12 ' HA ' ' A' ' 46' ' ' SER . 2.9 mm? -108.85 171.36 7.47 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.505 1.128 . . . . 0.0 109.326 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . 0.578 ' OE1' HD23 ' A' ' 35' ' ' LEU . 0.3 OUTLIER -93.3 114.24 26.64 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.48 1.112 . . . . 0.0 110.284 -179.986 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.515 HG11 ' HD3' ' A' ' 8' ' ' LYS . 14.4 p -82.76 118.94 31.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.497 1.123 . . . . 0.0 109.322 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.578 HD23 ' OE1' ' A' ' 33' ' ' GLU . 0.7 OUTLIER -104.65 -48.15 3.87 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.47 1.106 . . . . 0.0 109.334 179.954 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -110.37 135.2 51.46 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.517 1.136 . . . . 0.0 110.308 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 1.9 p-10 -146.07 176.44 9.72 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.456 1.098 . . . . 0.0 109.312 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 68.16 17.7 70.3 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.518 1.137 . . . . 0.0 110.991 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . 0.403 ' O ' ' C ' ' A' ' 40' ' ' GLN . 0.0 OUTLIER -128.02 166.04 19.16 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.478 0.752 . . . . 0.0 110.299 -179.946 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . 0.403 ' C ' ' O ' ' A' ' 39' ' ' ARG . 12.1 mt-30 -38.2 -74.99 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.509 1.131 . . . . 0.0 110.253 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' TRP . . . . . 0.524 ' CZ3' ' HD3' ' A' ' 55' ' ' PRO . 11.1 m95 -105.66 138.27 42.14 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.495 1.122 . . . . 0.0 107.998 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' TRP . . . . . 0.676 ' CE3' HD13 ' A' ' 59' ' ' LEU . 42.3 m0 -84.01 161.0 20.89 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 107.991 -1.114 . . . . 0.0 107.991 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 0.571 ' HB2' ' CE1' ' A' ' 53' ' ' TYR . 12.3 tttp -119.73 99.69 6.8 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.513 1.133 . . . . 0.0 109.278 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.793 HD23 ' CG2' ' A' ' 54' ' ' VAL . 0.5 OUTLIER -93.9 166.9 11.95 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.544 1.153 . . . . 0.0 109.285 179.992 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 12.0 ttp85 -143.06 126.14 16.37 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.469 1.106 . . . . 0.0 110.263 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . 0.481 ' HA ' HD12 ' A' ' 32' ' ' LEU . 0.2 OUTLIER -84.74 166.87 16.64 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.534 1.147 . . . . 0.0 109.999 179.993 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.9 -12.75 60.43 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.516 1.135 . . . . 0.0 110.248 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -74.89 -2.19 25.78 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.521 1.138 . . . . 0.0 110.041 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 85.4 -0.32 88.48 Favored Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.482 1.114 . . . . 0.0 110.992 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 1.4 mt-30 -88.71 148.9 23.75 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.53 0.782 . . . . 0.0 110.268 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . 0.438 ' C ' HD13 ' A' ' 24' ' ' LEU . . . -145.74 130.22 17.82 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.494 1.121 . . . . 0.0 109.331 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . 0.548 ' N ' HD13 ' A' ' 24' ' ' LEU . . . -141.92 170.56 24.84 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.49 1.119 . . . . 0.0 111.001 -179.946 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' TYR . . . . . 0.571 ' CE1' ' HB2' ' A' ' 43' ' ' LYS . 39.7 m-85 -96.07 145.67 25.28 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.502 0.766 . . . . 0.0 111.023 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.793 ' CG2' HD23 ' A' ' 44' ' ' LEU . 0.0 OUTLIER -149.73 164.75 19.59 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.505 1.128 . . . . 0.0 109.325 179.965 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . 0.524 ' HD3' ' CZ3' ' A' ' 41' ' ' TRP . 18.3 Cg_endo -75.03 143.71 29.26 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.479 1.779 . . . . 0.0 111.012 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' CYS . . . . . 0.518 ' HA ' HD12 ' A' ' 59' ' ' LEU . 30.5 p -80.15 -2.0 42.74 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.536 1.147 . . . . 0.0 108.315 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 2.0 t-20 -68.25 -33.67 74.81 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.499 1.124 . . . . 0.0 109.329 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.456 HD12 ' HB2' ' A' ' 16' ' ' PHE . 8.4 pt -93.1 -21.54 6.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.535 1.147 . . . . 0.0 109.322 179.931 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.676 HD13 ' CE3' ' A' ' 42' ' ' TRP . 67.4 mt -73.69 159.53 32.88 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.477 1.111 . . . . 0.0 109.335 179.952 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -155.22 148.02 17.76 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.523 1.14 . . . . 0.0 111.011 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 1.2 pt-20 -60.93 128.22 35.39 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.486 0.757 . . . . 0.0 110.331 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . 0.467 ' HB3' ' O ' ' A' ' 9' ' ' TYR . . . -100.49 159.74 14.9 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.55 1.156 . . . . 0.0 109.323 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 94.9 p -44.27 123.04 3.25 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.492 1.12 . . . . 0.0 110.027 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -172.15 -179.72 43.23 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.447 1.092 . . . . 0.0 110.994 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -33.99 4.15 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.531 1.806 . . . . 0.0 110.979 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 33.7 m 61.1 -92.06 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.512 1.133 . . . . 0.0 110.01 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -105.86 97.41 7.24 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.451 1.094 . . . . 0.0 109.962 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.972 0 O-C-N 124.527 1.142 . . . . 0.0 111.009 179.985 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.99 0 N-CA-C 111.002 -0.839 . . . . 0.0 111.002 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 99.2 p -151.42 139.11 19.73 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.511 0.771 . . . . 0.0 109.945 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.7 m 57.05 89.85 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.46 1.1 . . . . 0.0 110.014 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 125.16 140.08 5.35 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.533 1.146 . . . . 0.0 110.971 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 73.6 p -98.85 99.68 10.78 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.504 0.767 . . . . 0.0 110.019 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 73.57 -66.98 0.28 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.487 1.117 . . . . 0.0 110.018 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 106.69 -176.58 21.54 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.517 1.136 . . . . 0.0 111.012 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.549 ' O ' HG12 ' A' ' 34' ' ' VAL . 0.2 OUTLIER -119.99 157.74 28.22 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.485 0.756 . . . . 0.0 109.329 -179.997 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . 0.549 ' CE2' ' HG2' ' A' ' 33' ' ' GLU . 73.4 m-85 -137.37 175.51 9.54 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.488 1.118 . . . . 0.0 111.006 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.61 HG21 ' HB3' ' A' ' 59' ' ' LEU . 3.5 p -140.84 131.26 27.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.481 1.113 . . . . 0.0 109.308 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.471 ' CE ' ' HA ' ' A' ' 29' ' ' ASP . 0.0 OUTLIER -96.7 106.28 18.53 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.462 1.102 . . . . 0.0 109.327 -179.995 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.488 HD13 HD23 ' A' ' 59' ' ' LEU . 50.2 mm -49.39 141.1 2.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.561 1.163 . . . . 0.0 109.273 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 34.3 mt -105.05 -35.64 7.57 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.487 1.117 . . . . 0.0 109.274 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 97.2 m-85 -126.6 142.03 51.67 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.532 1.145 . . . . 0.0 110.986 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . 0.476 ' HB3' HD12 ' A' ' 27' ' ' LEU . 1.4 p30 -71.56 120.53 17.28 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.483 1.114 . . . . 0.0 109.264 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 53.9 t80 -120.66 147.37 45.34 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.515 1.134 . . . . 0.0 110.928 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 97.7 m -112.58 132.74 54.98 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.519 1.137 . . . . 0.0 110.393 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.416 ' HB2' ' N ' ' A' ' 25' ' ' SER . . . -75.99 116.88 17.13 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.5 1.125 . . . . 0.0 109.294 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -80.31 -25.1 39.51 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.552 1.157 . . . . 0.0 110.248 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 7.4 m-80 -145.64 -178.32 6.03 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.536 1.148 . . . . 0.0 109.291 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -70.25 -29.93 66.86 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.44 1.088 . . . . 0.0 109.281 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 13.9 t30 -63.66 -13.32 41.6 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.472 1.108 . . . . 0.0 109.295 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 -115.19 154.67 28.58 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.536 1.148 . . . . 0.0 110.303 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.481 ' HB2' ' CA ' ' A' ' 52' ' ' GLY . 5.0 tp -114.19 131.26 56.52 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.494 1.121 . . . . 0.0 109.277 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . 0.416 ' N ' ' HB2' ' A' ' 18' ' ' ALA . 4.0 p -81.36 117.03 21.49 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.465 1.103 . . . . 0.0 109.962 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 18.4 m -124.27 176.86 5.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.467 1.104 . . . . 0.0 109.294 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.476 HD12 ' HB3' ' A' ' 15' ' ' ASP . 61.6 tp -132.12 168.76 17.42 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.517 1.135 . . . . 0.0 109.294 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.475 ' O ' ' CB ' ' A' ' 29' ' ' ASP . 0.0 OUTLIER -79.11 133.13 36.77 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.533 1.145 . . . . 0.0 109.246 -179.965 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . 0.475 ' CB ' ' O ' ' A' ' 28' ' ' LYS . 4.1 t70 80.34 28.96 0.25 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.484 1.115 . . . . 0.0 109.283 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 6.6 mt-10 -109.4 167.38 10.16 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.488 1.118 . . . . 0.0 110.305 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 45.9 t -133.28 113.41 19.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.527 1.142 . . . . 0.0 109.282 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.453 HD23 ' CG1' ' A' ' 12' ' ' ILE . 3.2 mm? -105.82 170.69 7.75 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.532 1.145 . . . . 0.0 109.321 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . 0.549 ' HG2' ' CE2' ' A' ' 9' ' ' TYR . 0.9 OUTLIER -99.47 124.42 44.62 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.466 1.104 . . . . 0.0 110.275 -179.977 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.549 HG12 ' O ' ' A' ' 8' ' ' LYS . 8.9 p -90.7 123.07 42.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.522 1.139 . . . . 0.0 109.337 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.423 HD11 ' HB2' ' A' ' 45' ' ' ARG . 0.5 OUTLIER -112.49 -40.42 4.1 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.462 1.101 . . . . 0.0 109.273 -179.953 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -126.17 127.8 46.28 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.544 1.153 . . . . 0.0 110.316 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 3.1 p-10 -142.73 -179.64 6.45 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.515 1.134 . . . . 0.0 109.283 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 97.46 -6.42 63.16 Favored Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.505 1.128 . . . . 0.0 111.012 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 3.9 ttt85 -116.51 164.53 14.44 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.555 0.797 . . . . 0.0 110.333 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 27.7 mt-30 -41.45 -68.3 0.19 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.489 1.118 . . . . 0.0 110.287 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' TRP . . . . . 0.455 ' CE3' ' C ' ' A' ' 54' ' ' VAL . 13.2 m95 -97.13 131.25 44.07 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.523 1.14 . . . . 0.0 107.986 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' TRP . . . . . 0.608 ' CE3' HD13 ' A' ' 59' ' ' LEU . 38.2 m0 -90.13 159.66 16.67 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.506 1.129 . . . . 0.0 107.979 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 0.402 ' HB2' ' CE1' ' A' ' 53' ' ' TYR . 14.8 tttt -109.66 99.85 8.97 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.509 1.131 . . . . 0.0 109.269 -179.939 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.753 HD22 ' N ' ' A' ' 44' ' ' LEU . 0.5 OUTLIER -96.82 167.14 11.28 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.493 1.12 . . . . 0.0 109.345 179.972 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . 0.423 ' HB2' HD11 ' A' ' 35' ' ' LEU . 24.3 ttp180 -136.85 129.46 30.32 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.494 1.121 . . . . 0.0 110.338 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 27.6 p -77.57 165.82 23.82 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.555 1.159 . . . . 0.0 110.031 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 4.7 mmm180 -68.95 -11.68 60.92 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.514 1.134 . . . . 0.0 110.239 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -78.23 -16.48 57.79 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.488 1.117 . . . . 0.0 109.961 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 102.69 5.97 47.34 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.483 1.114 . . . . 0.0 110.995 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 30.4 mm-40 -88.1 141.79 28.29 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.516 0.774 . . . . 0.0 110.309 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -127.79 129.14 46.52 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.453 1.096 . . . . 0.0 109.336 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . 0.481 ' CA ' ' HB2' ' A' ' 24' ' ' LEU . . . -150.25 168.09 30.2 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.435 1.084 . . . . 0.0 110.989 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' TYR . . . . . 0.402 ' CE1' ' HB2' ' A' ' 43' ' ' LYS . 59.8 m-85 -96.2 153.35 17.85 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.521 0.777 . . . . 0.0 111.011 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.7 ' CG2' HD23 ' A' ' 44' ' ' LEU . 0.0 OUTLIER -152.97 167.02 14.2 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.468 1.105 . . . . 0.0 109.269 -179.995 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . 0.405 ' HB2' ' ND2' ' A' ' 57' ' ' ASN . 18.3 Cg_endo -75.01 150.98 38.89 Favored 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.48 1.779 . . . . 0.0 111.002 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 30.9 p -92.34 -15.48 27.27 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.459 1.1 . . . . 0.0 108.299 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . 0.771 ' OD1' HG23 ' A' ' 58' ' ' ILE . 4.0 p30 -65.14 -12.14 47.8 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.53 1.144 . . . . 0.0 109.3 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.771 HG23 ' OD1' ' A' ' 57' ' ' ASN . 29.1 pt -108.75 -28.79 2.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.48 1.113 . . . . 0.0 109.329 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.61 ' HB3' HG21 ' A' ' 10' ' ' VAL . 85.3 mt -64.3 171.12 3.27 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.49 1.119 . . . . 0.0 109.293 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . 0.417 ' H ' HG22 ' A' ' 10' ' ' VAL . . . -155.2 -146.47 4.44 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.459 1.099 . . . . 0.0 111.014 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 25.4 tt0 -118.28 142.99 46.93 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.547 0.793 . . . . 0.0 110.34 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -122.05 125.94 47.34 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.533 1.146 . . . . 0.0 109.299 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 70.68 85.83 0.13 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.487 1.117 . . . . 0.0 109.973 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -51.47 157.2 3.01 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.501 1.126 . . . . 0.0 110.988 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 98.44 1.16 Allowed 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.502 1.79 . . . . 0.0 111.006 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 41.31 91.0 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.448 1.092 . . . . 0.0 110.005 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -165.05 157.11 15.5 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.517 1.136 . . . . 0.0 109.982 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.985 0 O-C-N 124.526 1.141 . . . . 0.0 110.994 179.98 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.006 0 N-CA-C 110.961 -0.856 . . . . 0.0 110.961 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 13.9 m -51.45 -58.27 6.74 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.484 0.755 . . . . 0.0 109.972 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -171.08 -58.08 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.521 1.138 . . . . 0.0 110.016 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 146.01 67.3 0.01 OUTLIER Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.482 1.114 . . . . 0.0 111.03 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.6 m 63.28 133.42 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.495 0.762 . . . . 0.0 110.001 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 60.7 p -54.9 126.8 25.87 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.485 1.116 . . . . 0.0 110.016 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -90.12 -160.69 36.76 Favored Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.552 1.158 . . . . 0.0 110.959 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -113.3 160.58 18.19 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.552 0.795 . . . . 0.0 109.314 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 74.6 m-85 -139.12 164.15 30.54 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.499 1.124 . . . . 0.0 110.952 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 8.5 p -128.7 137.43 57.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.46 1.1 . . . . 0.0 109.327 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.553 ' N ' ' HB2' ' A' ' 62' ' ' ALA . 4.0 tttt -98.41 111.02 23.51 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.424 1.078 . . . . 0.0 109.309 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 43.5 mm -60.46 133.39 26.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.451 1.094 . . . . 0.0 109.303 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.535 ' HB2' ' CD1' ' A' ' 14' ' ' TYR . 71.3 mt -97.11 -34.25 11.22 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.123 . . . . 0.0 109.303 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . 0.535 ' CD1' ' HB2' ' A' ' 13' ' ' LEU . 10.2 m-85 -131.26 133.23 45.23 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.495 1.122 . . . . 0.0 110.981 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 1.2 p30 -63.85 113.73 3.61 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.496 1.123 . . . . 0.0 109.329 179.936 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . 0.5 ' CE2' HG12 ' A' ' 54' ' ' VAL . 87.1 t80 -104.09 146.71 28.34 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.513 1.133 . . . . 0.0 110.995 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 5.7 m -118.35 110.22 17.22 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.52 1.138 . . . . 0.0 110.385 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -43.35 114.05 0.58 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.506 1.129 . . . . 0.0 109.312 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -103.64 12.19 35.16 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.487 1.117 . . . . 0.0 110.318 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 1.3 m-80 -158.78 169.81 23.54 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.566 1.166 . . . . 0.0 109.316 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -70.06 -32.5 70.62 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.456 1.097 . . . . 0.0 109.276 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 39.9 m-20 -92.06 42.79 1.11 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.444 1.09 . . . . 0.0 109.276 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 41.5 mt-10 -146.14 146.19 30.77 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.511 1.132 . . . . 0.0 110.323 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.475 ' HB2' ' CA ' ' A' ' 52' ' ' GLY . 4.8 tp -108.87 145.53 35.18 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.481 1.113 . . . . 0.0 109.362 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 7.2 p -98.89 119.97 38.56 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.5 1.125 . . . . 0.0 110.0 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.562 ' C ' HD22 ' A' ' 27' ' ' LEU . 26.6 m -133.39 156.27 41.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.534 1.146 . . . . 0.0 109.318 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.562 HD22 ' C ' ' A' ' 26' ' ' VAL . 1.2 mm? -105.87 179.14 4.36 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.545 1.153 . . . . 0.0 109.281 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.402 ' HG2' ' N ' ' A' ' 29' ' ' ASP . 7.2 ttmt -81.4 142.84 32.61 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.529 1.143 . . . . 0.0 109.31 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . 0.402 ' N ' ' HG2' ' A' ' 28' ' ' LYS . 16.9 t0 72.01 28.47 2.54 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.494 1.121 . . . . 0.0 109.33 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 17.3 mt-10 -107.84 162.03 14.37 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.531 1.144 . . . . 0.0 110.305 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.429 ' C ' HD22 ' A' ' 32' ' ' LEU . 73.5 t -133.95 119.91 33.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.496 1.122 . . . . 0.0 109.262 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.572 HD12 ' HA ' ' A' ' 46' ' ' SER . 2.4 mm? -108.8 178.39 4.49 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.472 1.107 . . . . 0.0 109.295 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . 0.41 ' HG2' HD23 ' A' ' 35' ' ' LEU . 4.7 tt0 -104.4 104.11 13.92 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.513 1.133 . . . . 0.0 110.294 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.426 HG13 ' O ' ' A' ' 34' ' ' VAL . 14.6 p -68.1 117.31 9.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.451 1.094 . . . . 0.0 109.295 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.676 HD11 ' HB2' ' A' ' 45' ' ' ARG . 1.2 mt -98.25 -47.97 5.25 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.524 1.14 . . . . 0.0 109.322 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 7.7 mm-40 -128.04 124.28 36.72 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.542 1.151 . . . . 0.0 110.256 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -135.51 -177.91 4.88 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.527 1.142 . . . . 0.0 109.313 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 90.85 -10.02 76.08 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.497 1.123 . . . . 0.0 111.059 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 4.6 ttt85 -109.35 165.42 11.64 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.465 0.744 . . . . 0.0 110.273 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 25.7 mt-30 -38.92 -63.78 0.5 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.52 1.138 . . . . 0.0 110.279 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' TRP . . . . . 0.427 ' CE3' ' C ' ' A' ' 54' ' ' VAL . 13.1 m95 -105.47 132.67 51.36 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.52 1.137 . . . . 0.0 108.048 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' TRP . . . . . 0.813 ' CE3' HD13 ' A' ' 59' ' ' LEU . 43.9 m0 -87.51 163.57 16.6 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.575 1.172 . . . . 0.0 108.024 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 0.538 ' HB2' ' CE1' ' A' ' 53' ' ' TYR . 56.4 tttt -115.48 99.84 7.65 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.501 1.126 . . . . 0.0 109.267 -179.946 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.809 HD23 ' CG2' ' A' ' 54' ' ' VAL . 0.1 OUTLIER -102.06 164.09 11.89 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.546 1.154 . . . . 0.0 109.24 -179.98 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . 0.676 ' HB2' HD11 ' A' ' 35' ' ' LEU . 23.0 ttp180 -131.57 135.58 47.12 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.515 1.134 . . . . 0.0 110.316 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . 0.572 ' HA ' HD12 ' A' ' 32' ' ' LEU . 96.3 p -85.01 165.39 17.59 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.49 1.119 . . . . 0.0 110.016 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.89 -15.78 63.59 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.491 1.12 . . . . 0.0 110.293 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -75.95 -1.59 26.33 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.51 1.131 . . . . 0.0 109.983 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 82.7 29.79 34.42 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.555 1.16 . . . . 0.0 110.958 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . 0.466 ' O ' ' CG ' ' A' ' 45' ' ' ARG . 14.1 mm100 -112.97 153.69 27.64 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.502 0.766 . . . . 0.0 110.334 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . 0.437 ' CA ' HD13 ' A' ' 24' ' ' LEU . . . -137.37 129.47 29.24 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.524 1.14 . . . . 0.0 109.294 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . 0.475 ' CA ' ' HB2' ' A' ' 24' ' ' LEU . . . -150.24 153.69 25.21 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.509 1.131 . . . . 0.0 110.996 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' TYR . . . . . 0.538 ' CE1' ' HB2' ' A' ' 43' ' ' LYS . 41.6 m-85 -85.79 144.14 27.91 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.484 0.755 . . . . 0.0 110.974 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.809 ' CG2' HD23 ' A' ' 44' ' ' LEU . 0.0 OUTLIER -143.9 165.89 22.09 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.478 1.111 . . . . 0.0 109.311 179.971 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 144.59 30.43 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.527 1.804 . . . . 0.0 111.058 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 26.9 p -83.27 0.48 45.44 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.533 1.146 . . . . 0.0 108.327 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -71.76 -29.14 64.17 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.479 1.112 . . . . 0.0 109.309 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.44 HD12 ' HB2' ' A' ' 16' ' ' PHE . 9.0 pt -97.44 -21.73 5.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.446 1.092 . . . . 0.0 109.302 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.813 HD13 ' CE3' ' A' ' 42' ' ' TRP . 86.1 mt -65.33 164.25 13.95 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.477 1.111 . . . . 0.0 109.317 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -171.04 150.12 13.37 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.517 1.136 . . . . 0.0 110.959 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . 0.447 ' CG ' ' O ' ' A' ' 61' ' ' GLU . 4.9 pt-20 -60.94 120.62 10.56 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.507 0.769 . . . . 0.0 110.303 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . 0.553 ' HB2' ' N ' ' A' ' 11' ' ' LYS . . . -92.99 139.54 30.41 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.522 1.139 . . . . 0.0 109.315 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -142.93 142.0 31.59 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.451 1.094 . . . . 0.0 110.007 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -124.84 160.16 19.46 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.537 1.148 . . . . 0.0 110.977 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 -58.56 0.05 OUTLIER 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.526 1.803 . . . . 0.0 111.0 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 70.11 134.21 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.474 1.109 . . . . 0.0 110.029 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 95.8 p -60.52 141.7 56.21 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.504 1.127 . . . . 0.0 109.99 -179.941 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.996 0 O-C-N 124.475 1.109 . . . . 0.0 111.009 -179.968 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.98 0 N-CA-C 111.028 -0.829 . . . . 0.0 111.028 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -160.98 105.42 1.35 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.509 0.77 . . . . 0.0 110.008 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 60.4 p -144.6 97.11 2.98 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.542 1.151 . . . . 0.0 109.998 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -83.97 -114.83 0.63 Allowed Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.44 1.088 . . . . 0.0 111.016 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 7.5 t -57.74 158.83 5.82 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.532 0.783 . . . . 0.0 110.039 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 10.0 t -173.61 85.77 0.05 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.54 1.15 . . . . 0.0 109.969 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -167.83 78.85 0.11 Allowed Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.534 1.146 . . . . 0.0 110.999 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -86.18 168.15 14.25 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.436 0.727 . . . . 0.0 109.294 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 66.1 m-85 -144.4 161.73 38.27 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.497 1.123 . . . . 0.0 110.987 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.519 HG21 ' HB3' ' A' ' 59' ' ' LEU . 14.5 p -133.81 147.53 30.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.515 1.134 . . . . 0.0 109.308 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.455 ' CE ' ' HA ' ' A' ' 29' ' ' ASP . 14.1 tttt -107.23 127.38 53.48 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.532 1.145 . . . . 0.0 109.309 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.605 HD11 HD23 ' A' ' 32' ' ' LEU . 22.9 mm -72.67 127.34 34.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.541 1.151 . . . . 0.0 109.273 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 70.5 mt -94.61 -21.8 18.58 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.525 1.141 . . . . 0.0 109.283 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . 0.459 ' O ' ' CG2' ' A' ' 12' ' ' ILE . 97.3 m-85 -142.44 143.55 32.67 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.47 1.107 . . . . 0.0 111.006 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -72.62 110.94 7.35 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.487 1.117 . . . . 0.0 109.268 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . 0.649 ' CD2' HG12 ' A' ' 54' ' ' VAL . 68.0 t80 -109.6 141.31 42.3 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.49 1.119 . . . . 0.0 111.044 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 3.9 m -120.43 118.92 31.55 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.556 1.16 . . . . 0.0 110.406 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -40.38 115.62 0.58 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.499 1.124 . . . . 0.0 109.285 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 30.7 mtt180 -94.79 -11.22 29.35 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.484 1.115 . . . . 0.0 110.335 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -140.22 -172.21 3.37 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.447 1.092 . . . . 0.0 109.299 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -79.38 -28.49 41.88 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.482 1.114 . . . . 0.0 109.308 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 7.5 m120 -96.72 43.02 1.08 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.511 1.132 . . . . 0.0 109.285 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 41.7 mt-10 -137.67 159.72 41.18 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.512 1.133 . . . . 0.0 110.256 -180.0 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.431 HD13 ' N ' ' A' ' 52' ' ' GLY . 7.2 tp -122.58 142.94 50.09 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.494 1.121 . . . . 0.0 109.263 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 2.3 p -99.59 115.06 28.52 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.513 1.133 . . . . 0.0 110.023 179.936 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 33.7 m -134.68 158.56 41.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.524 1.14 . . . . 0.0 109.324 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.51 ' O ' HG21 ' A' ' 12' ' ' ILE . 3.2 mm? -101.34 178.96 4.5 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.496 1.122 . . . . 0.0 109.295 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.535 ' O ' ' CB ' ' A' ' 29' ' ' ASP . 0.0 OUTLIER -87.29 141.47 28.62 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.523 1.139 . . . . 0.0 109.272 -179.973 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . 0.535 ' CB ' ' O ' ' A' ' 28' ' ' LYS . 17.6 t0 84.8 -9.47 0.87 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.499 1.124 . . . . 0.0 109.315 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . 0.463 ' OE2' ' CB ' ' A' ' 27' ' ' LEU . 0.2 OUTLIER -68.77 167.53 15.24 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.5 1.125 . . . . 0.0 110.286 -179.962 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.523 ' C ' HD22 ' A' ' 32' ' ' LEU . 54.4 t -134.47 121.72 37.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.485 1.116 . . . . 0.0 109.294 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.605 HD23 HD11 ' A' ' 12' ' ' ILE . 2.8 mm? -113.24 176.36 5.06 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.466 1.104 . . . . 0.0 109.282 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . 0.438 ' HG2' ' CD2' ' A' ' 35' ' ' LEU . 8.3 tt0 -108.01 118.82 37.75 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.48 1.113 . . . . 0.0 110.288 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 8.8 p -80.17 132.2 32.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.531 1.144 . . . . 0.0 109.293 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.5 HD11 ' HB2' ' A' ' 45' ' ' ARG . 0.6 OUTLIER -117.0 -51.12 2.57 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.562 1.164 . . . . 0.0 109.266 -179.955 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 7.0 mm-40 -116.69 124.15 48.99 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.506 1.129 . . . . 0.0 110.301 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 1.1 p-10 -133.63 173.62 11.31 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.473 1.108 . . . . 0.0 109.312 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 99.42 -13.98 61.1 Favored Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.431 1.082 . . . . 0.0 110.998 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -107.4 165.15 11.6 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.462 0.743 . . . . 0.0 110.254 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -45.47 -67.79 0.25 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.465 1.103 . . . . 0.0 110.35 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' TRP . . . . . 0.441 ' CE3' ' C ' ' A' ' 54' ' ' VAL . 19.0 m95 -93.08 133.67 36.0 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.518 1.136 . . . . 0.0 108.014 179.943 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' TRP . . . . . 0.794 ' CE3' HD13 ' A' ' 59' ' ' LEU . 47.0 m0 -90.08 162.91 15.09 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.502 1.126 . . . . 0.0 107.969 -179.952 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 10.4 tttp -115.0 99.75 7.68 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.532 1.145 . . . . 0.0 109.277 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.812 HD23 ' CG2' ' A' ' 54' ' ' VAL . 0.1 OUTLIER -102.54 160.85 14.2 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.534 1.147 . . . . 0.0 109.293 179.969 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . 0.5 ' HB2' HD11 ' A' ' 35' ' ' LEU . 15.1 ttp180 -132.71 122.67 24.94 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.497 1.123 . . . . 0.0 110.283 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . 0.517 ' HA ' HD12 ' A' ' 32' ' ' LEU . 1.5 t -67.91 163.31 22.31 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.476 1.11 . . . . 0.0 110.024 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.32 -22.89 63.74 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.465 1.103 . . . . 0.0 110.276 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -68.03 -20.14 64.97 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.486 1.116 . . . . 0.0 110.029 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 108.26 -11.75 36.82 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.467 1.104 . . . . 0.0 110.981 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . 0.494 ' O ' ' CG ' ' A' ' 45' ' ' ARG . 5.8 mm-40 -64.59 152.61 41.63 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.466 0.744 . . . . 0.0 110.32 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -138.44 130.37 28.21 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.438 1.086 . . . . 0.0 109.271 -179.945 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . 0.431 ' N ' HD13 ' A' ' 24' ' ' LEU . . . -149.96 175.05 29.25 Favored Glycine 0 CA--C 1.531 1.066 0 O-C-N 124.485 1.115 . . . . 0.0 111.005 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 38.2 m-85 -105.86 143.43 34.02 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.527 0.781 . . . . 0.0 111.009 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.812 ' CG2' HD23 ' A' ' 44' ' ' LEU . 0.0 OUTLIER -145.01 165.45 22.15 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.513 1.133 . . . . 0.0 109.277 -179.957 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 146.66 33.13 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.5 1.79 . . . . 0.0 111.015 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' CYS . . . . . 0.449 ' HA ' HD12 ' A' ' 59' ' ' LEU . 30.0 p -83.82 0.59 46.86 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 0.0 108.33 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 23.8 m-20 -74.31 -26.2 60.03 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.477 1.111 . . . . 0.0 109.296 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 19.4 pt -98.82 -25.15 4.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.476 1.11 . . . . 0.0 109.319 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.794 HD13 ' CE3' ' A' ' 42' ' ' TRP . 74.0 mt -68.17 154.29 42.01 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.509 1.13 . . . . 0.0 109.288 -179.95 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -156.46 151.67 23.09 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.449 1.093 . . . . 0.0 111.045 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 1.3 pm0 -60.79 138.61 58.1 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.456 0.739 . . . . 0.0 110.35 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -112.44 156.28 22.82 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.549 1.155 . . . . 0.0 109.356 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 5.9 t -111.32 73.53 0.82 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.476 1.11 . . . . 0.0 110.013 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -79.02 164.96 50.46 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.504 1.128 . . . . 0.0 111.005 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 146.95 33.14 Favored 'Trans proline' 0 C--N 1.361 1.184 0 O-C-N 124.493 1.786 . . . . 0.0 110.948 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 69.6 m -114.45 -56.66 2.36 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.533 1.146 . . . . 0.0 110.056 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 23.1 t -76.72 165.06 25.25 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.476 1.11 . . . . 0.0 110.012 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.993 0 O-C-N 124.523 1.139 . . . . 0.0 110.995 -179.963 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.975 0 N-CA-C 111.043 -0.823 . . . . 0.0 111.043 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.5 t -118.66 164.93 14.62 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.505 0.768 . . . . 0.0 110.021 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.1 m -40.15 -63.48 0.61 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.493 1.12 . . . . 0.0 109.978 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 61.39 69.14 1.38 Allowed Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.518 1.136 . . . . 0.0 111.001 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.3 t 63.11 88.39 0.1 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.483 0.755 . . . . 0.0 110.025 180.0 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.3 m -76.6 150.03 36.51 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.508 1.13 . . . . 0.0 109.952 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 170.4 -135.85 3.71 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.488 1.117 . . . . 0.0 110.979 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -120.4 167.83 11.93 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.516 0.774 . . . . 0.0 109.283 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 91.5 m-85 -143.66 168.59 19.54 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.427 1.079 . . . . 0.0 111.025 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.762 HG21 ' HB3' ' A' ' 59' ' ' LEU . 4.9 p -134.17 135.58 54.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.495 1.122 . . . . 0.0 109.269 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 12.5 tttt -93.07 121.67 34.65 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.501 1.125 . . . . 0.0 109.279 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.563 HG21 ' O ' ' A' ' 27' ' ' LEU . 34.4 mm -66.38 111.26 1.65 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.5 1.125 . . . . 0.0 109.311 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 87.1 mt -76.6 -28.53 56.18 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.539 1.149 . . . . 0.0 109.3 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . 0.463 ' O ' ' CG2' ' A' ' 12' ' ' ILE . 71.1 m-85 -142.2 145.07 33.73 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.549 1.156 . . . . 0.0 110.964 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . 0.411 ' N ' ' HB2' ' A' ' 28' ' ' LYS . 5.2 p-10 -72.28 125.28 26.95 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.487 1.117 . . . . 0.0 109.264 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . 0.532 ' CE2' HG12 ' A' ' 54' ' ' VAL . 81.6 t80 -125.19 145.0 50.17 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.505 1.128 . . . . 0.0 110.969 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 3.5 m -121.92 114.5 21.08 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.451 1.095 . . . . 0.0 110.424 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -40.37 116.18 0.65 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.449 1.093 . . . . 0.0 109.265 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 25.7 mmm180 -93.93 -14.67 25.73 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.504 1.128 . . . . 0.0 110.263 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -132.42 -175.25 3.69 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.528 1.142 . . . . 0.0 109.3 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -80.21 -28.23 38.68 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.52 1.137 . . . . 0.0 109.321 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 22.5 m-80 -93.04 42.61 1.1 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.544 1.153 . . . . 0.0 109.318 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 8.3 mt-10 -142.43 162.04 36.49 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.465 1.103 . . . . 0.0 110.303 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.486 HD13 ' N ' ' A' ' 52' ' ' GLY . 4.0 tp -123.63 143.49 50.2 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.485 1.116 . . . . 0.0 109.311 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 2.3 p -94.99 114.39 26.19 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.515 1.134 . . . . 0.0 109.968 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.412 HG23 HG21 ' A' ' 12' ' ' ILE . 5.4 m -123.51 172.83 10.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.477 1.111 . . . . 0.0 109.303 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.563 ' O ' HG21 ' A' ' 12' ' ' ILE . 58.9 tp -120.98 168.08 11.89 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.493 1.121 . . . . 0.0 109.292 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.49 ' O ' ' CB ' ' A' ' 29' ' ' ASP . 0.0 OUTLIER -82.85 140.12 33.09 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.553 1.158 . . . . 0.0 109.325 -179.998 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . 0.49 ' CB ' ' O ' ' A' ' 28' ' ' LYS . 1.9 m-20 81.65 3.94 1.37 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.505 1.128 . . . . 0.0 109.284 -179.951 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -91.87 165.0 13.47 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.472 1.107 . . . . 0.0 110.31 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.527 ' C ' HD22 ' A' ' 32' ' ' LEU . 85.8 t -133.84 119.52 33.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.494 1.121 . . . . 0.0 109.315 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.527 HD22 ' C ' ' A' ' 31' ' ' VAL . 2.5 mm? -109.36 178.14 4.53 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.488 1.117 . . . . 0.0 109.306 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . 0.426 ' O ' ' HA ' ' A' ' 44' ' ' LEU . 7.2 tt0 -107.99 132.24 53.73 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.447 1.092 . . . . 0.0 110.307 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.454 ' HA ' ' CD1' ' A' ' 44' ' ' LEU . 10.4 p -83.49 130.31 36.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.564 1.165 . . . . 0.0 109.309 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.468 HD12 ' N ' ' A' ' 35' ' ' LEU . 6.5 mp -98.26 -51.82 3.87 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.463 1.102 . . . . 0.0 109.323 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -128.65 135.95 49.98 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.464 1.103 . . . . 0.0 110.323 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -132.34 174.55 10.12 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.472 1.107 . . . . 0.0 109.279 -179.946 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 100.0 -3.92 57.27 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.486 1.116 . . . . 0.0 111.022 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 4.1 mtp180 -122.0 162.36 21.27 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.416 0.715 . . . . 0.0 110.316 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -45.34 -72.51 0.06 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.47 1.106 . . . . 0.0 110.248 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' TRP . . . . . 0.412 ' CE3' ' C ' ' A' ' 54' ' ' VAL . 13.1 m95 -84.57 128.59 34.68 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.477 1.11 . . . . 0.0 108.032 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 46.0 m0 -86.79 163.02 17.5 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.532 1.145 . . . . 0.0 108.037 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 0.442 ' HB2' ' CE1' ' A' ' 53' ' ' TYR . 63.0 tttt -114.45 105.2 12.83 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.451 1.095 . . . . 0.0 109.323 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.797 HD22 ' N ' ' A' ' 44' ' ' LEU . 0.0 OUTLIER -106.71 167.03 10.14 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.556 1.16 . . . . 0.0 109.31 179.985 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . 0.441 ' CB ' HD11 ' A' ' 35' ' ' LEU . 24.3 ttm180 -137.13 127.45 26.44 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.544 1.152 . . . . 0.0 110.308 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 25.6 p -77.12 166.65 22.99 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.518 1.136 . . . . 0.0 109.966 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.39 -11.38 59.53 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.499 1.125 . . . . 0.0 110.311 179.943 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 23.1 t -84.32 8.12 17.11 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.511 1.132 . . . . 0.0 109.968 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 76.11 12.1 84.34 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.557 1.161 . . . . 0.0 111.016 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . 0.415 ' O ' ' HA ' ' A' ' 45' ' ' ARG . 66.5 mm-40 -90.95 143.27 26.9 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.436 0.727 . . . . 0.0 110.289 -179.951 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -133.03 127.75 34.77 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.48 1.112 . . . . 0.0 109.315 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . 0.486 ' N ' HD13 ' A' ' 24' ' ' LEU . . . -150.31 157.9 27.42 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.503 1.127 . . . . 0.0 111.038 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' TYR . . . . . 0.442 ' CE1' ' HB2' ' A' ' 43' ' ' LYS . 47.7 m-85 -88.14 153.27 21.38 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.509 0.77 . . . . 0.0 111.034 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.685 ' CG2' HD23 ' A' ' 44' ' ' LEU . 0.0 OUTLIER -153.47 165.11 18.45 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.51 1.131 . . . . 0.0 109.337 -179.991 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 144.26 30.16 Favored 'Trans proline' 0 C--N 1.359 1.117 0 O-C-N 124.465 1.771 . . . . 0.0 110.976 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 31.2 p -83.95 0.85 46.23 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.506 1.128 . . . . 0.0 108.273 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -74.14 -21.05 60.03 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.504 1.127 . . . . 0.0 109.329 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 31.2 pt -104.97 -19.09 6.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.128 . . . . 0.0 109.272 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.762 ' HB3' HG21 ' A' ' 10' ' ' VAL . 91.6 mt -74.07 153.29 39.69 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.518 1.136 . . . . 0.0 109.274 -179.95 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . 0.539 ' H ' HG22 ' A' ' 10' ' ' VAL . . . -138.09 -144.91 4.76 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.539 1.15 . . . . 0.0 110.973 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 26.1 tt0 -119.93 142.75 48.44 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.558 0.799 . . . . 0.0 110.283 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -121.88 150.48 41.89 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.487 1.117 . . . . 0.0 109.3 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -157.19 132.36 8.99 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.509 1.131 . . . . 0.0 110.006 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -97.28 157.83 21.01 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.451 1.094 . . . . 0.0 111.039 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 60.51 5.49 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.522 1.801 . . . . 0.0 110.967 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 3.5 m -83.86 111.53 19.31 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.459 1.099 . . . . 0.0 109.993 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 19.1 t -77.71 109.2 11.5 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.487 1.117 . . . . 0.0 109.997 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.927 0 O-C-N 124.471 1.107 . . . . 0.0 111.018 179.985 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.008 0 N-CA-C 111.029 -0.828 . . . . 0.0 111.029 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 58.34 169.89 0.05 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.468 0.746 . . . . 0.0 109.995 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 69.75 -65.75 0.3 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.477 1.111 . . . . 0.0 110.013 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 120.94 -172.78 15.26 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.532 1.145 . . . . 0.0 110.975 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -178.44 104.53 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.515 0.774 . . . . 0.0 109.981 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -128.45 92.91 3.52 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.508 1.13 . . . . 0.0 109.963 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -133.75 -152.7 6.84 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.498 1.124 . . . . 0.0 110.97 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 14.8 tttt -112.13 158.7 19.31 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.539 0.787 . . . . 0.0 109.318 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 94.5 m-85 -136.42 172.08 13.54 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.504 1.127 . . . . 0.0 110.982 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.569 HG23 ' O ' ' A' ' 60' ' ' GLY . 7.1 p -128.54 154.09 38.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.509 1.13 . . . . 0.0 109.263 -179.929 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 12.1 tttt -113.49 123.99 51.33 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.519 1.137 . . . . 0.0 109.34 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.479 HG21 ' O ' ' A' ' 27' ' ' LEU . 51.3 mm -71.09 119.46 17.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.442 1.089 . . . . 0.0 109.3 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 43.3 mt -87.18 -20.51 26.88 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.462 1.101 . . . . 0.0 109.33 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 68.3 m-85 -149.31 136.96 20.29 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.499 1.124 . . . . 0.0 110.96 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 10.3 p-10 -63.58 135.79 57.06 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.44 1.087 . . . . 0.0 109.323 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . 0.514 ' CE2' HG12 ' A' ' 54' ' ' VAL . 85.6 t80 -128.13 136.15 50.76 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.466 1.104 . . . . 0.0 111.021 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 76.8 m -104.92 97.26 7.15 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.521 1.138 . . . . 0.0 110.387 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.725 ' HB2' ' C ' ' A' ' 24' ' ' LEU . . . -40.71 115.15 0.54 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.496 1.123 . . . . 0.0 109.289 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 15.8 mmt85 -67.72 -34.89 77.76 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.466 1.104 . . . . 0.0 110.287 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 48.6 m-80 -142.56 -175.57 4.52 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.433 1.083 . . . . 0.0 109.33 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.412 ' C ' ' N ' ' A' ' 23' ' ' GLU . . . -62.87 -51.64 66.2 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.485 1.116 . . . . 0.0 109.305 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . 0.422 ' ND2' ' HG3' ' A' ' 23' ' ' GLU . 2.1 p-10 -45.37 -26.5 0.55 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.487 1.117 . . . . 0.0 109.301 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . 0.422 ' HG3' ' ND2' ' A' ' 22' ' ' ASN . 60.1 mt-10 -97.08 155.79 16.65 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.505 1.128 . . . . 0.0 110.29 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.725 ' C ' ' HB2' ' A' ' 18' ' ' ALA . 5.1 tp -113.64 146.7 39.36 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.517 1.136 . . . . 0.0 109.317 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 12.9 p -101.86 121.8 42.79 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.486 1.116 . . . . 0.0 110.011 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.448 HG11 ' HG ' ' A' ' 32' ' ' LEU . 34.7 m -134.03 168.63 23.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.473 1.108 . . . . 0.0 109.283 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.479 ' O ' HG21 ' A' ' 12' ' ' ILE . 4.8 mt -118.48 178.76 4.34 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.485 1.116 . . . . 0.0 109.291 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -85.49 147.0 26.67 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.483 1.114 . . . . 0.0 109.329 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 13.1 t70 74.68 5.84 4.45 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.567 1.167 . . . . 0.0 109.305 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -89.31 161.4 16.38 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.457 1.098 . . . . 0.0 110.31 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.406 ' HA ' ' O ' ' A' ' 10' ' ' VAL . 55.0 t -129.95 109.54 17.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.47 1.106 . . . . 0.0 109.3 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.448 ' HG ' HG11 ' A' ' 26' ' ' VAL . 3.1 mm? -100.32 163.76 12.24 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.51 1.131 . . . . 0.0 109.303 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . 0.418 ' O ' ' HA ' ' A' ' 44' ' ' LEU . 4.6 tt0 -97.09 130.53 44.36 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.526 1.141 . . . . 0.0 110.295 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.489 ' HA ' HD12 ' A' ' 44' ' ' LEU . 11.7 p -82.14 132.21 31.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.444 1.09 . . . . 0.0 109.322 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.407 HD13 ' HA ' ' A' ' 44' ' ' LEU . 7.3 mp -105.7 -52.47 2.81 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.454 1.096 . . . . 0.0 109.326 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 13.8 mm-40 -129.27 131.81 47.07 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.473 1.108 . . . . 0.0 110.298 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -132.25 172.86 11.89 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.482 1.114 . . . . 0.0 109.288 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 99.68 -10.11 60.69 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.505 1.128 . . . . 0.0 111.001 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -112.14 161.02 16.99 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.482 0.754 . . . . 0.0 110.289 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -40.62 -72.52 0.06 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.486 1.116 . . . . 0.0 110.277 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' TRP . . . . . 0.476 ' CE3' ' C ' ' A' ' 54' ' ' VAL . 16.6 m95 -88.72 133.79 34.12 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 0.0 107.976 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' TRP . . . . . 0.503 ' CE3' HD13 ' A' ' 59' ' ' LEU . 45.1 m0 -87.17 162.82 17.28 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.544 1.152 . . . . 0.0 108.01 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 0.443 ' HB2' ' CE1' ' A' ' 53' ' ' TYR . 8.0 tttp -118.77 109.19 15.77 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.488 1.117 . . . . 0.0 109.26 -179.954 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.775 HD22 ' N ' ' A' ' 44' ' ' LEU . 0.0 OUTLIER -112.98 167.32 10.61 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.478 1.111 . . . . 0.0 109.307 179.96 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . 0.501 ' CG ' ' O ' ' A' ' 50' ' ' GLN . 16.8 ttp180 -130.74 126.89 37.58 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.464 1.102 . . . . 0.0 110.271 -179.914 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 63.9 p -68.16 159.63 30.67 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.488 1.118 . . . . 0.0 110.001 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 2.6 mmm-85 -61.05 -16.08 39.59 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.462 1.101 . . . . 0.0 110.317 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -77.55 -16.88 58.39 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.438 1.087 . . . . 0.0 109.951 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 108.98 -12.16 34.46 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.514 1.133 . . . . 0.0 110.968 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . 0.501 ' O ' ' CG ' ' A' ' 45' ' ' ARG . 0.2 OUTLIER -67.28 154.74 40.58 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.505 0.768 . . . . 0.0 110.309 -179.996 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -138.56 129.49 26.74 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.51 1.131 . . . . 0.0 109.303 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . 0.616 ' N ' HD13 ' A' ' 24' ' ' LEU . . . -150.15 164.57 29.7 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.515 1.135 . . . . 0.0 110.978 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' TYR . . . . . 0.443 ' CE1' ' HB2' ' A' ' 43' ' ' LYS . 46.9 m-85 -94.1 152.6 18.65 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.472 0.748 . . . . 0.0 110.983 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.663 ' CG2' HD23 ' A' ' 44' ' ' LEU . 0.0 OUTLIER -152.36 166.03 16.22 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.516 1.135 . . . . 0.0 109.274 -179.982 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 142.59 28.03 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.511 1.795 . . . . 0.0 110.979 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' CYS . . . . . 0.518 ' HA ' HD12 ' A' ' 59' ' ' LEU . 31.9 p -81.54 0.14 39.45 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.471 1.107 . . . . 0.0 108.346 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 50.4 m-80 -71.7 -33.28 68.64 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.48 1.113 . . . . 0.0 109.293 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 11.1 pt -92.82 -22.14 5.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.552 1.158 . . . . 0.0 109.289 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.552 ' HB3' HG21 ' A' ' 10' ' ' VAL . 82.2 mt -70.97 150.48 45.63 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.488 1.118 . . . . 0.0 109.292 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . 0.569 ' O ' HG23 ' A' ' 10' ' ' VAL . . . -140.9 -148.19 5.06 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.508 1.13 . . . . 0.0 110.998 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -119.62 131.52 55.49 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.484 0.756 . . . . 0.0 110.328 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -96.35 134.18 39.81 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.565 1.166 . . . . 0.0 109.304 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 3.3 t -121.62 99.64 6.57 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.481 1.113 . . . . 0.0 109.948 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 81.14 174.23 48.67 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.478 1.111 . . . . 0.0 111.034 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 136.83 20.81 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.532 1.806 . . . . 0.0 110.983 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 93.1 p -90.97 99.27 12.34 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.547 1.154 . . . . 0.0 109.998 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 57.1 p -71.98 -54.32 10.3 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.455 1.097 . . . . 0.0 110.034 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.984 0 O-C-N 124.503 1.127 . . . . 0.0 111.005 -179.995 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.018 0 N-CA-C 110.988 -0.845 . . . . 0.0 110.988 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -55.94 135.9 52.07 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.467 0.745 . . . . 0.0 110.033 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 19.0 m -76.38 134.91 39.52 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.461 1.1 . . . . 0.0 110.023 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -129.16 135.73 8.61 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.5 1.125 . . . . 0.0 110.982 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 32.0 t -168.89 -59.01 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.493 0.761 . . . . 0.0 110.0 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 87.2 p -45.63 155.55 0.16 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.44 1.088 . . . . 0.0 109.976 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -113.78 161.36 12.74 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.437 1.085 . . . . 0.0 111.015 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.436 ' HG2' ' CG1' ' A' ' 34' ' ' VAL . 0.0 OUTLIER -89.16 161.15 16.63 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.49 0.759 . . . . 0.0 109.31 179.978 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 65.6 m-85 -130.72 167.94 18.0 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.445 1.091 . . . . 0.0 111.005 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.477 HG21 ' HB3' ' A' ' 59' ' ' LEU . 4.1 p -131.09 133.21 62.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.514 1.134 . . . . 0.0 109.34 179.935 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -99.8 127.2 45.96 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.467 1.104 . . . . 0.0 109.279 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.578 HG21 ' O ' ' A' ' 27' ' ' LEU . 30.3 mm -71.23 115.58 11.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.465 1.103 . . . . 0.0 109.291 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 91.2 mt -81.25 -23.14 38.21 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.467 1.105 . . . . 0.0 109.294 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . 0.491 ' O ' ' CG2' ' A' ' 12' ' ' ILE . 95.5 m-85 -145.03 141.27 28.75 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.519 1.137 . . . . 0.0 111.003 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . 0.409 ' N ' ' HB2' ' A' ' 28' ' ' LYS . 2.1 p30 -67.11 119.2 11.64 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.506 1.129 . . . . 0.0 109.284 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . 0.536 ' CE2' HG12 ' A' ' 54' ' ' VAL . 61.1 t80 -116.06 146.4 42.23 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.482 1.114 . . . . 0.0 110.966 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 22.3 m -121.77 128.9 52.25 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.491 1.12 . . . . 0.0 110.352 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -67.1 112.87 4.65 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.549 1.156 . . . . 0.0 109.321 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 25.6 mmm180 -101.96 1.05 36.26 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.529 1.143 . . . . 0.0 110.315 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 7.8 m-80 -146.43 173.7 12.04 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.505 1.128 . . . . 0.0 109.3 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -70.56 -33.15 70.8 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.461 1.1 . . . . 0.0 109.364 179.935 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 70.6 m-20 -90.2 42.58 1.1 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.503 1.127 . . . . 0.0 109.269 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 34.0 mt-10 -143.67 156.58 44.59 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.468 1.105 . . . . 0.0 110.267 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.82 HD13 ' N ' ' A' ' 52' ' ' GLY . 8.4 tp -122.3 140.85 52.16 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.521 1.138 . . . . 0.0 109.322 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 3.8 p -96.0 120.47 36.34 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.502 1.126 . . . . 0.0 110.024 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.514 HG11 ' HG ' ' A' ' 32' ' ' LEU . 26.9 m -141.84 164.4 18.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.549 1.156 . . . . 0.0 109.32 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.578 ' O ' HG21 ' A' ' 12' ' ' ILE . 12.5 mt -108.87 178.98 4.31 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.523 1.139 . . . . 0.0 109.263 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.523 ' O ' ' CB ' ' A' ' 29' ' ' ASP . 25.4 tttt -88.0 141.74 28.34 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.517 1.136 . . . . 0.0 109.295 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . 0.523 ' CB ' ' O ' ' A' ' 28' ' ' LYS . 2.9 m-20 84.77 -10.08 0.85 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.51 1.131 . . . . 0.0 109.309 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -70.71 167.47 18.65 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.446 1.092 . . . . 0.0 110.336 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 73.6 t -134.32 112.09 15.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.54 1.15 . . . . 0.0 109.292 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.744 HD12 ' HA ' ' A' ' 46' ' ' SER . 3.3 mm? -104.59 168.75 8.88 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.513 1.133 . . . . 0.0 109.274 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 8.5 tt0 -99.83 132.13 45.37 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.452 1.095 . . . . 0.0 110.279 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.436 ' CG1' ' HG2' ' A' ' 8' ' ' LYS . 14.4 p -89.51 132.49 34.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.464 1.102 . . . . 0.0 109.283 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.715 HD11 ' HB2' ' A' ' 45' ' ' ARG . 0.5 OUTLIER -115.14 -48.42 2.82 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.499 1.124 . . . . 0.0 109.29 179.994 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -120.44 128.48 53.21 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.521 1.138 . . . . 0.0 110.295 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 2.3 p-10 -138.7 173.74 11.26 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.504 1.127 . . . . 0.0 109.303 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 99.37 -12.06 61.65 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.528 1.142 . . . . 0.0 110.999 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -110.23 164.4 12.69 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.537 0.786 . . . . 0.0 110.337 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 14.2 mm-40 -44.53 -62.47 1.18 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.469 1.106 . . . . 0.0 110.322 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' TRP . . . . . 0.416 ' CE3' ' C ' ' A' ' 54' ' ' VAL . 15.8 m95 -99.23 131.75 45.03 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.498 1.124 . . . . 0.0 107.974 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' TRP . . . . . 0.791 ' CE3' HD13 ' A' ' 59' ' ' LEU . 32.6 m0 -89.02 161.02 16.81 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.519 1.137 . . . . 0.0 107.992 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 0.515 ' HD2' ' CZ ' ' A' ' 53' ' ' TYR . 17.4 tttt -112.69 99.64 8.09 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.504 1.127 . . . . 0.0 109.304 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.748 HD22 ' N ' ' A' ' 44' ' ' LEU . 0.1 OUTLIER -102.42 167.49 9.92 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.538 1.149 . . . . 0.0 109.284 -179.971 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . 0.715 ' HB2' HD11 ' A' ' 35' ' ' LEU . 18.8 ttp180 -131.17 120.09 22.8 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.496 1.122 . . . . 0.0 110.3 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . 0.744 ' HA ' HD12 ' A' ' 32' ' ' LEU . 1.2 t -67.92 136.37 53.88 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.486 1.116 . . . . 0.0 109.991 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -48.79 -21.38 0.62 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.497 1.123 . . . . 0.0 110.313 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . 0.402 ' N ' ' C ' ' A' ' 46' ' ' SER . 0.6 OUTLIER -66.83 -25.15 66.29 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.494 1.121 . . . . 0.0 110.008 179.961 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 110.1 28.91 3.95 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.487 1.117 . . . . 0.0 110.987 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . 0.681 ' O ' HD11 ' A' ' 24' ' ' LEU . 6.3 mm100 -119.1 130.26 55.49 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.511 0.771 . . . . 0.0 110.346 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . 0.603 ' C ' HD13 ' A' ' 24' ' ' LEU . . . -113.48 128.18 56.36 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.494 1.121 . . . . 0.0 109.269 -179.939 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . 0.82 ' N ' HD13 ' A' ' 24' ' ' LEU . . . -150.66 176.12 29.37 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.503 1.127 . . . . 0.0 111.017 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' TYR . . . . . 0.515 ' CZ ' ' HD2' ' A' ' 43' ' ' LYS . 49.9 m-85 -104.77 148.19 26.88 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.561 0.8 . . . . 0.0 111.005 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.666 ' CG2' HD23 ' A' ' 44' ' ' LEU . 0.0 OUTLIER -151.46 165.91 16.34 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.489 1.118 . . . . 0.0 109.281 -179.978 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 143.32 28.94 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.462 1.77 . . . . 0.0 111.013 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' CYS . . . . . 0.495 ' HA ' HD12 ' A' ' 59' ' ' LEU . 30.7 p -81.7 1.39 34.49 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.478 1.111 . . . . 0.0 108.305 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -74.29 -25.15 59.41 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.514 1.134 . . . . 0.0 109.296 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 25.9 pt -101.42 -19.52 5.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.469 1.106 . . . . 0.0 109.284 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.791 HD13 ' CE3' ' A' ' 42' ' ' TRP . 96.4 mt -67.17 155.73 38.03 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.49 1.118 . . . . 0.0 109.322 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . 0.447 ' H ' HG22 ' A' ' 10' ' ' VAL . . . -157.0 144.48 10.75 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.483 1.114 . . . . 0.0 111.024 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 2.5 pt-20 -60.96 117.7 5.8 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.504 0.767 . . . . 0.0 110.276 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -90.15 123.53 34.06 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.532 1.145 . . . . 0.0 109.269 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 20.9 m -102.71 -51.98 3.18 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.532 1.145 . . . . 0.0 109.958 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 98.08 157.29 30.01 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.471 1.107 . . . . 0.0 110.984 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 94.77 0.96 Allowed 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.497 1.788 . . . . 0.0 110.992 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 24.7 t 50.28 81.93 0.06 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.493 1.121 . . . . 0.0 110.02 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 78.8 p -87.31 163.9 16.57 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.505 1.128 . . . . 0.0 110.016 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.012 0 O-C-N 124.5 1.125 . . . . 0.0 110.986 -179.97 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.009 0 N-CA-C 111.003 -0.839 . . . . 0.0 111.003 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 11.1 m 47.87 89.51 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.472 0.748 . . . . 0.0 109.987 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.7 t 59.82 166.07 0.06 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.528 1.143 . . . . 0.0 110.007 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -124.88 179.55 16.1 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.483 1.114 . . . . 0.0 110.993 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.4 m -69.61 -63.84 0.99 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.496 0.763 . . . . 0.0 109.995 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.5 t -173.82 168.21 4.31 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.534 1.146 . . . . 0.0 109.978 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 150.96 169.15 16.38 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.466 1.104 . . . . 0.0 110.953 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 11.2 mttt -114.35 166.11 12.01 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.477 0.751 . . . . 0.0 109.293 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 62.3 m-85 -142.42 175.45 9.77 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.516 1.135 . . . . 0.0 110.956 -179.945 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.55 HG21 ' HB3' ' A' ' 59' ' ' LEU . 9.6 p -134.68 144.03 36.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.505 1.128 . . . . 0.0 109.302 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.475 ' CE ' ' HA ' ' A' ' 29' ' ' ASP . 0.0 OUTLIER -109.28 104.85 14.06 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.497 1.123 . . . . 0.0 109.311 179.994 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.599 HG12 HD23 ' A' ' 32' ' ' LEU . 44.9 mm -48.43 124.1 1.91 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.486 1.116 . . . . 0.0 109.261 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.421 ' HB2' ' CD1' ' A' ' 14' ' ' TYR . 67.8 mt -89.55 -33.32 16.77 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.494 1.121 . . . . 0.0 109.287 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . 0.421 ' CD1' ' HB2' ' A' ' 13' ' ' LEU . 37.0 m-85 -133.3 136.43 45.47 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.469 1.106 . . . . 0.0 110.983 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -62.52 113.89 3.22 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.497 1.123 . . . . 0.0 109.332 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . 0.65 ' CE2' HG12 ' A' ' 54' ' ' VAL . 60.5 t80 -108.98 139.39 43.91 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.504 1.127 . . . . 0.0 111.017 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 4.0 m -116.9 121.34 41.18 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.558 1.162 . . . . 0.0 110.375 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -51.64 114.4 1.25 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.493 1.12 . . . . 0.0 109.304 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 22.5 mmt180 -98.79 -0.13 43.22 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.486 1.116 . . . . 0.0 110.315 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 2.4 m-80 -148.74 -176.0 5.16 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.552 1.158 . . . . 0.0 109.269 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -78.25 -35.75 47.8 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.505 1.128 . . . . 0.0 109.36 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 6.5 m120 -89.44 43.75 1.17 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.519 1.137 . . . . 0.0 109.265 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 28.8 mt-10 -143.58 147.37 34.3 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.484 1.115 . . . . 0.0 110.291 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.49 HD13 ' N ' ' A' ' 52' ' ' GLY . 3.5 tp -107.57 147.48 30.53 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.493 1.121 . . . . 0.0 109.342 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 3.0 p -104.06 115.95 31.35 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.501 1.125 . . . . 0.0 110.021 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.656 HG11 ' HG ' ' A' ' 32' ' ' LEU . 24.1 m -135.61 161.17 39.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.482 1.114 . . . . 0.0 109.307 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.486 ' O ' HG21 ' A' ' 12' ' ' ILE . 1.6 mm? -106.91 179.03 4.38 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.521 1.138 . . . . 0.0 109.356 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.417 ' O ' ' CB ' ' A' ' 29' ' ' ASP . 9.1 tttp -85.34 146.71 26.88 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.5 1.125 . . . . 0.0 109.288 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . 0.475 ' HA ' ' CE ' ' A' ' 11' ' ' LYS . 11.0 t0 76.0 10.78 3.12 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.506 1.129 . . . . 0.0 109.307 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -92.51 158.11 16.19 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.521 1.138 . . . . 0.0 110.299 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.426 ' C ' HD22 ' A' ' 32' ' ' LEU . 55.8 t -125.95 111.12 25.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.523 1.14 . . . . 0.0 109.34 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.656 ' HG ' HG11 ' A' ' 26' ' ' VAL . 2.9 mm? -104.11 176.9 5.0 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.49 1.119 . . . . 0.0 109.318 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . 0.424 ' O ' ' HA ' ' A' ' 44' ' ' LEU . 17.9 tt0 -108.88 130.42 55.43 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.497 1.123 . . . . 0.0 110.27 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.581 ' HA ' HD12 ' A' ' 44' ' ' LEU . 14.7 p -83.49 129.28 37.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.508 1.13 . . . . 0.0 109.302 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.411 HD12 ' N ' ' A' ' 35' ' ' LEU . 7.1 mp -103.84 -55.85 2.31 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.549 1.156 . . . . 0.0 109.319 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 9.5 mm-40 -122.56 132.19 54.19 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.474 1.109 . . . . 0.0 110.289 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -131.5 172.56 12.07 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.474 1.109 . . . . 0.0 109.309 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 86.65 14.69 64.98 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.489 1.118 . . . . 0.0 111.032 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -127.06 158.26 37.46 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.484 0.755 . . . . 0.0 110.273 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 17.2 mt-30 -39.03 -60.7 0.84 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.55 1.156 . . . . 0.0 110.296 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' TRP . . . . . 0.568 ' CZ3' ' HD3' ' A' ' 55' ' ' PRO . 11.6 m95 -107.9 137.78 45.29 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.549 1.156 . . . . 0.0 107.995 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' TRP . . . . . 0.618 ' CE3' HD13 ' A' ' 59' ' ' LEU . 33.3 m0 -83.1 160.73 21.83 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 107.955 -1.128 . . . . 0.0 107.955 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 0.571 ' HB2' ' CE1' ' A' ' 53' ' ' TYR . 4.8 tttt -122.96 107.79 12.22 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.513 1.133 . . . . 0.0 109.28 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.703 HD22 ' N ' ' A' ' 44' ' ' LEU . 0.0 OUTLIER -108.28 167.17 10.21 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.487 1.117 . . . . 0.0 109.255 -179.979 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . 0.494 ' CG ' ' O ' ' A' ' 50' ' ' GLN . 19.4 ttm180 -138.66 116.95 11.9 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.528 1.143 . . . . 0.0 110.305 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 15.6 t -67.9 168.57 11.45 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.504 1.127 . . . . 0.0 109.998 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.64 -8.17 52.44 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.463 1.102 . . . . 0.0 110.281 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 2.5 p -85.0 7.68 20.47 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.442 1.089 . . . . 0.0 110.013 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 78.35 6.27 87.83 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.514 1.134 . . . . 0.0 111.004 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . 0.494 ' O ' ' CG ' ' A' ' 45' ' ' ARG . 0.2 OUTLIER -83.41 152.51 24.99 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.535 0.785 . . . . 0.0 110.283 -179.988 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -146.28 129.79 16.89 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.537 1.148 . . . . 0.0 109.251 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . 0.49 ' N ' HD13 ' A' ' 24' ' ' LEU . . . -150.23 174.74 29.56 Favored Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.5 1.125 . . . . 0.0 110.996 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' TYR . . . . . 0.571 ' CE1' ' HB2' ' A' ' 43' ' ' LYS . 38.4 m-85 -108.12 143.84 36.33 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.539 0.788 . . . . 0.0 110.991 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.65 HG12 ' CE2' ' A' ' 16' ' ' PHE . 0.0 OUTLIER -146.35 163.97 27.12 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.49 1.119 . . . . 0.0 109.339 179.983 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . 0.568 ' HD3' ' CZ3' ' A' ' 41' ' ' TRP . 18.4 Cg_endo -74.99 143.25 28.89 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.502 1.791 . . . . 0.0 111.016 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' CYS . . . . . 0.53 ' HA ' HD12 ' A' ' 59' ' ' LEU . 30.3 p -79.67 -2.31 42.21 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.463 1.102 . . . . 0.0 108.266 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 1.6 m-20 -68.18 -37.48 81.01 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.47 1.106 . . . . 0.0 109.298 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 7.7 pt -88.27 -24.08 6.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.452 1.095 . . . . 0.0 109.324 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.618 HD13 ' CE3' ' A' ' 42' ' ' TRP . 70.1 mt -71.22 155.96 40.1 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.554 1.159 . . . . 0.0 109.281 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -153.45 143.24 9.96 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.494 1.122 . . . . 0.0 111.026 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -61.02 118.96 7.41 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.49 0.759 . . . . 0.0 110.323 -180.0 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -90.14 165.55 13.91 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.518 1.137 . . . . 0.0 109.333 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -100.19 168.42 9.82 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.483 1.115 . . . . 0.0 110.019 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -148.51 157.58 27.35 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.482 1.114 . . . . 0.0 111.021 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 56.09 4.12 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.503 1.791 . . . . 0.0 111.011 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -166.39 -62.78 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.529 1.143 . . . . 0.0 110.025 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 9.3 p 43.58 77.37 0.07 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.471 1.107 . . . . 0.0 109.991 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.963 0 O-C-N 124.482 1.114 . . . . 0.0 111.036 179.954 . . . . . . . . 0 0 . 1 stop_ save_